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Graduate Seminar Series

Engineering Single-Cell Bioanalytic Processes to Evaluate Complex Cellular Systems

The majority of analytical technologies used to assess the identities and functional capacities of cells yield average measures of their phenotypes. These measures obscure unique individuals that contribute significantly to the collective behavior or that may be of particular interest in discovery-based research. This talk will introduce an integrated approach for single-cell analysis based on defined modular unit operations that allow biological measurements across multiple scales and time.

Engineering Single-Cell Bioanalytic Processes to Evaluate Complex Cellular Systems

Start:

3/27/2012 at 3:30PM

End:

3/27/2012 at 4:30PM

Location:

155 DeBartolo Hall

Host:

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Basar Bilgicer

Basar Bilgicer

VIEW FULL PROFILE Email: bbilgicer@nd.edu
Phone: 574-631-1429
Website: http://www.nd.edu/~bbgroup/
Office: 171 Fitzpatrick Hall

Affiliations

College of Engineering Associate Professor
Multivalent biomolecular interactions are very important in biological systems. A deeper understanding of the thermodynamics and kinetics of multivalent interactions in biological systems is imperative in the development of new diagnostic and therapeutic agents. My lab focuses on both ...
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The majority of analytical technologies used to assess the identities and functional capacities of cells yield average measures of their phenotypes. These measures obscure unique individuals that contribute significantly to the collective behavior or that may be of particular interest in discovery-based research. This talk will introduce an integrated approach for single-cell analysis based on defined modular unit operations that allow biological measurements across multiple scales and time. The bioanalytic operations rely on the use of microfabricated arrays of subnanoliter containers (10^5-10^6) to isolate individual or small numbers of cells within a population. Two specific applications of these technologies for massively parallel single-cell analyses will be presented. First, an integrated analysis of individual cells within a clonal population of Pichia pastoris—a yeast used for production of heterologous proteins in biomanufacturing—reveals new insights to the dynamics of secretion by individual clones and how non-genetic variations alter the uniformity of the population. The implications of these factors on the challenges of strain engineering for biomanufacturing will be discussed. Second, the talk will outline how similar approaches to assessing lineages and functions can start to improve the resolution of clinical monitoring in human diseases, particularly for chronic human diseases such as HIV/AIDS. The approaches described provide a new basis for advanced clinical monitoring of cellular responses to candidate vaccines and highly quantitative diagnostics.

Seminar Speaker:

Dr. J. Christopher Love

(M.I.T.)

Professor Love is an associate professor in Chemical Engineering at MIT and a member of the Koch Institute for Integrative Cancer Research. He is also an Associate Member at the Eli and Edythe L. Broad Institute, and at the Ragon Institute of MGH, MIT, and Harvard. Professor Love graduated with a B.S. degree in chemistry from the University of Virginia in 1999. He received his Ph.D. in 2004 in physical chemistry at Harvard University under the supervision of George Whitesides. Following completion of his doctoral studies, he extended his research into immunology with Hidde Ploegh at Harvard Medical School from 2004-2005, and at the Immune Disease Institute from 2005-2007. His current research uses microsystems to characterize heterogeneity among single cells with specific studies in HIV/AIDS, autoimmunity, and biopharmaceutical manufacturing. He was named a Dana Scholar for Human Immunology as well as a Keck Distinguished Young Scholar in Medical Research in 2009, and selected to Popular Science’s 9th annual ‘Brilliant 10’ in 2010.

Seminar Sponsors:

Process Control Approaches in the Design and Clinical Testing of an Artificial Pancreas

One of the great challenges in the design of any feedback control algorithm is the striking of a compromise between performance (often characterized by the speed of recovery from disturbances) and robustness to uncertainty. This is the case for the design of algorithms to control the artificial pancreas, a mechanical device that attempts to emulate the beta cells in the pancreas to automatically deliver insulin to individuals with type 1 diabetes.

Process Control Approaches in the Design and Clinical Testing of an Artificial Pancreas

Start:

4/10/2012 at 3:30PM

End:

4/10/2012 at 4:30PM

Location:

155 DeBartolo Hall

Host:

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Jeffrey Kantor

Jeffrey Kantor

VIEW FULL PROFILE Email: kantor.1@nd.edu
Phone: 574-631-5797
Website: http://www.nd.edu/~jeff/
Office: 176 Fitzpatrick Hall
Dr. Kantor is interested in the analysis and optimization of integrated financial and process operations using methods of stochastic control, convex optimization, and quantitative finance.
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One of the great challenges in the design of any feedback control algorithm is the striking of a compromise between performance (often characterized by the speed of recovery from disturbances) and robustness to uncertainty. This is the case for the design of algorithms to control the artificial pancreas, a mechanical device that attempts to emulate the beta cells in the pancreas to automatically deliver insulin to individuals with type 1 diabetes. On one hand, it is desired to have a fast algorithm that minimizes postprandial (post-meal) glucose excursions and returns to normal glycemia as quickly as possible. On the other hand, excessive use of insulin coupled with uncertain patient characteristics (e.g., insulin sensitivity, correction factor, etc.) can lead to dangerous swings in glucose levels. This is exacerbated by the intrinsic limitations imposed by current technology for actuation (pumps) and sensing (continuous glucose monitors) with subcutaneous transport lags. In this talk, a methodology will be outlined that allows one to maximize the robust performance of a closed-loop artificial pancreas. The algorithm is comprised of a zone model predictive controller combined with safety features that account for insulin on board in order to minimize overdosing of insulin. Various metrics are employed to evaluate the performance of the algorithm and recent clinical prototyping of the artificial pancreas will be described.

Seminar Speaker:

Dr. Francis J. Doyle III

UC, Santa Barbara

N/A

Seminar Sponsors:

Nanofluidics for Gene Delivery

Technologies to manipulate or assembly molecules at extremely high levels of spatial confinement could open a door to many fundamental research and practical applications, particularly in the biomedical field. Nanowires and nanochannels are the two most commonly employed elements in nanoscale systems.

Nanofluidics for Gene Delivery

Start:

4/24/2012 at 3:30PM

End:

4/24/2012 at 4:30PM

Location:

155 DeBartolo Hall

Host:

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Hsueh-Chia Chang

Hsueh-Chia Chang

VIEW FULL PROFILE Email: hchang@nd.edu
Phone: 574-631-5697
Website: http://www.nd.edu/~changlab/
Office: 118B Cushing Hall
Curriculum Vitae
We explore and apply electrokinetic phenomena to develop new diagnostic and micro/nanofluidic devices that are portable, sensitive and fast. We are particularly interested in designing new molecular sensing and analysis technologies based on AC and non-equilibrium electrokinetics at the surface of ...
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Technologies to manipulate or assembly molecules at extremely high levels of spatial confinement could open a door to many fundamental research and practical applications, particularly in the biomedical field. Nanowires and nanochannels are the two most commonly employed elements in nanoscale systems. However, it is difficult and/or expensive to fabricate nanowires/channels with the diameter/pore size smaller than 5 nm without defects. We recently developed a novel, simple and low-cost DNA combing and imprinting (DCI) method1-3 capable of forming an array of laterally ordered nanowires or nanochannels. Applications of DCI include nanochannel electroporation (NEP)4 which allow nucleic acid transfection of cells with precise control over dose and timing will be discussed. For NEP, our DCI method allows the formation of an array of microchannel-pairs each connected by a nanochannel. The cell to be transfected is positioned in one microchannel against the nanochannel and the other microchannel is filled with the agent to be delivered. A voltage pulse(s) lasting milliseconds (ms) is then delivered between the two microchannels by nanoscale electrophoresis causing transfection. The dose control is achieved by adjusting the duration and number of pulses. We show dose control effects on a variety of transfection agents such as oligonucleic acids, molecular beacon, quantum dots and efficient delivery of large DNA directly into the nucleus using nanoparticle “bullets.” Dosage controlled delivery to multiple cells is not achievable with any existing techniques. The ability to deliver precise amounts of biomolecules and nanofabricated probes into living cells offers tremendous opportunities for biological studies and therapeutic applications. It may also play a key role in the non-viral generation of engineered stem cells and induce pluripotent stem cells with high efficiency and non-carcinogenic properties, an important step to realize regenerative medicine.

Seminar Speaker:

L. James Lee

Department of Chemical and Biomolecular Engineering, The Ohio State University

.

Seminar Sponsors:

AVESTARTM Center for Operational Excellence of Clean Energy Plants

To address challenges in attaining operational excellence for clean energy plants, the U.S. Department of Energy’s (DOE) National Energy Technology Laboratory (NETL) has launched a world-class facility for Advanced Virtual Energy Simulation Training and Research (AVESTARTM). The AVESTAR Center brings together state-of-the-art, real-time, high-fidelity dynamic simulators with operator training systems (OTSs) and 3D virtual immersive training systems (ITSs) into an integrated energy plant and control room environment.

AVESTARTM Center for Operational Excellence of Clean Energy Plants

Start:

5/1/2012 at 3:30PM

End:

5/1/2012 at 4:30PM

Location:

355 DeBartolo Hall

Host:

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Mark Stadtherr

Mark Stadtherr

VIEW FULL PROFILE Email: markst@nd.edu
Phone: 574-631-9318
Website: http://www.nd.edu/~markst/
Office: 118A Cushing Hall

Affiliations

College of Engineering Keating-Crawford Professor
The focus of our research is on the development and application of strategies for reliable engineering computing. In many applications of interest in chemical engineering, it is necessary to deal with nonlinear models of complex physical phenomena, on scales ranging from the macroscopic to the ...
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To address challenges in attaining operational excellence for clean energy plants, the U.S. Department of Energy’s (DOE) National Energy Technology Laboratory (NETL) has launched a world-class facility for Advanced Virtual Energy Simulation Training and Research (AVESTARTM). The AVESTAR Center brings together state-of-the-art, real-time, high-fidelity dynamic simulators with operator training systems (OTSs) and 3D virtual immersive training systems (ITSs) into an integrated energy plant and control room environment. This presentation will highlight the AVESTARTM Center simulators, facilities, and comprehensive training, education, and research programs focused on the operation and control of high-efficiency, near-zero-emission energy plants. In collaboration with R&D partners and energy experts, NETL’s AVESTAR team developed, tested, and deployed a full-scope, high-fidelity, real-time dynamic simulator with OTS for an integrated gasification combined cycle (IGCC) power plant with carbon dioxide (CO2) capture. The IGCC dynamic simulator combines--for the first time--a “gasification with CO2 capture and compression” process simulator with a “combined-cycle” power simulator together in a single dynamic simulation framework. IGCC plants are an attractive technology option for power generation, especially in a carbon-constrained environment. IGCC power plants use gasifiers to produce a synthesis gas, primarily a mixture of hydrogen and carbon monoxide, which is cleaned and then fired in a combined cycle system to generate electricity using gas and steam turbines. The advantages of gasification-based technology include environmental benefits, potential for CO2 capture, the ability to use a variety of feedstocks (e.g., coal, biomass, pet coke), and its high efficiency relative to other power generation technologies. NETL’s AVESTAR Center also offers an immersive training system for the IGCC power plant with CO2 capture. Using virtual reality technology, the ITS adds another dimension of realism to the real-time dynamic OTS by providing a 3D plant walk-through environment. Wearing a stereoscopic headset or eyewear, ITS users can interact with plant equipment items (e.g., gasifier), activate transparent views (e.g., liquid level in a tank), display pop-up trends (e.g., gas turbine combustor temperature over time), and experience equipment sound effects (e.g., pump engines), malfunctions (e.g., leaks, fires), and visual training scenarios (e.g., CO2 absorber column operation). Using the ITS, IGCC field operators can coordinate activities with control room operators. Immersed in the virtual environment, field operators can move and interact as if they were in the real plant. The environment is fully interactive with the dynamic simulation models, so actions taken by a field operator will have an impact on the process and actions performed in the control room will change the information visible to the field operator. As a result, field and control room operators will be trained to coordinate their activities and perform collaboratively as a team. Additional benefits include training for safety-critical tasks, rare abnormal situations, and emergency shutdowns. The AVESTAR training program offers a variety of IGCC courses that merge classroom learning, simulator-based OTS learning in a control-room operations environment, and immersive learning in the interactive 3D virtual plant environment or ITS. All of the courses introduce trainees to base-load plant operation, control, startups, and shutdowns. Advanced courses require participants to become familiar with coordinated control, fuel switching, power-demand load shedding, and load following, as well as to problem solve equipment and process malfunctions. Designed to ensure work force development, training is offered for control room and plant field operators, as well as engineers and managers. The importance of teamwork and communication is reinforced. Such comprehensive simulator-based instruction allows for realistic training without compromising worker, equipment, and environmental safety. It also better prepares operators and engineers to manage the plant closer to economic constraints while minimizing or avoiding the impact of any potentially harmful, wasteful, or inefficient events. With support from the NETL Regional University Alliance (RUA), the AVESTAR Center is also used to augment graduate and undergraduate engineering education in the areas of process simulation, dynamics, control, and safety. Students and researchers gain hands-on simulator-based training experience and learn how the commercial-scale power plants respond dynamically to changes in manipulated inputs, such as coal feed flow rate and power demand. Students also analyze how the regulatory control system impacts power plant performance and stability. In addition, students practice start-up, shutdown, and malfunction scenarios. The 3D virtual ITSs are used for plant familiarization, walk-through, equipment animations, and safety scenarios. To further leverage the AVESTAR facilities and simulators, NETL and its university partners are pursuing an innovative and collaborative R&D program. In the area of IGCC process control, AVESTAR researchers are developing enhanced strategies for regulatory control and coordinated plant-wide control, including gasifier and gas turbine lead, as well as advanced process control using model predictive control (MPC) techniques. Other AVESTAR R&D focus areas include high-fidelity equipment modeling using partial differential equations, dynamic reduced order modeling, optimal sensor placement, and 3D virtual plant simulation. NETL and its partners plan to continue building the AVESTAR portfolio of dynamic simulators, immersive training systems, and advanced research capabilities to satisfy industry’s growing need for training and experience with the operation and control of clean energy plants. Future dynamic simulators under development include natural gas combined cycle (NGCC) and supercritical pulverized coal (SCPC) plants with post-combustion CO2 capture. These dynamic simulators are targeted for use in establishing a Virtual Carbon Capture Center (VCCC), similar in concept to the DOE’s National Carbon Capture Center for slipstream testing. The VCCC will enable developers of CO2 capture technologies to integrate, test, and optimize the operation of their dynamic capture models within the context of baseline power plant dynamic models. The objective is to provide hands-on, simulator-based “learn-by-operating” test platforms to accelerate the scale-up and deployment of CO2 capture technologies.

Seminar Speaker:

Dr. Stephen E. Zitney

AVESTAR Center

N/A

Seminar Sponsors:

Ernest W. Thiele Lecture

Talking about a (Proteomics) Revolution: Microfluidic Integration for Next-Generation Protein Analysis

Ernest W. Thiele Lecture

Start:

9/24/2012 at 3:00PM

End:

9/24/2012 at 4:00PM

Location:

102 DeBartolo Hall

Host:

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Edward Maginn

Edward Maginn

VIEW FULL PROFILE Email: ed@nd.edu
Phone: 574-631-5687
Website: http://www.nd.edu/~ed/
Office: 182A Fitzpatrick Hall

Affiliations

Department of Chemical and Biomolecular Engineering Dorini Family Professor of Energy Studies and Department Chair
College of Engineering Dorini Family Professor of Energy Studies and Chair of the Department of Chemical and Biomolecular Engineering
The research in our group focuses on developing a fundamental understanding of the link between the physical properties of materials and their chemical constitution. Much of our work is devoted to applications related to energy and the environment. The main tool we use is molecular simulation. In ...
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Talking about a (Proteomics) Revolution: Microfluidic Integration for Next-Generation Protein Analysis Technology advances have driven a genomics revolution with sweeping impact on our understanding of life processes. Nevertheless, the arguably more important “proteomics revolution” remains unrealized. Proteins are complex; meaning that multiple physicochemical properties must be assayed. Consequently, proteomic studies are resource intensive and ‘data limited’. To drive a bold transformation of biomedicine, engineering innovation in proteomics instrumentation is needed. While microfluidic technology has advanced separations science, progress lags in the multi-stage separations that are a hallmark of proteomics. This talk will summarize new microengineering design strategies for critical multi-stage protein assays. Specifically, I will introduce our tunable photopatterned materials for switchable function, microfluidic architectures for seamless integration of discrete stages, and multiplexed readouts for quantitation. In a translational example, I will detail assay and design advances from our two highly integrated Western blotting platforms. Focus will center on next-generation confirmatory HIV diagnostics. In a life sciences example, I will highlight our recent contributions to protein isoform measurements, here for new prognostic cancer biomarkers and biospecimen repository monitoring. Performance and operational gains will be discussed, including quantitation capability, total assay automation, integration of sample preparation, and workflows that require minutes not days. Ultimately, we aim to infuse engineering advances into the biological and biomedical sciences – collaboration that promises to address a range of unmet scientific, biomedical, & societal needs.

Seminar Speaker:

Amy E. Herr, Ph.D.

Amy E. Herr, Ph.D.

University of California at Berkeley

aeh@berkeley.edu

Amy E. Herr received her BS degree from Caltech and her MS (1999) and PhD (2002) degrees from Stanford in Mechanical Engineering. From 2002-2007, Dr. Herr was a Biosystems Research staff member at Sandia National Laboratories (Livermore). At UC Berkeley since 2007, Prof. Herr’s research focuses on instrumentation innovation to advance quantitation in life sciences and clinical problems – impact spans from tools for fundamental research (cell signaling) to near-patient disease diagnostics. Her major awards include: the 2012 Young Innovator Award from Analytical Chemistry and the Chemical & Biological Microsystems Society, the 2012 Ellen Weaver Award from the Association for Women in Science (AWIS), a 2012 Bakar Fellowship at UC Berkeley, a 2011 NSF CAREER Award, the 2011 Eli Lilly & Co. New Investigator Award in analytical chemistry, a 2010 NIH New Innovator Award, a 2010 Alfred P. Sloan Research Fellowship (chemistry), a 2009 DARPA Young Faculty Award, the 2009 Hellman Family Faculty Fund Award from UC Berkeley, and the 2008 Regents’ Junior Faculty Fellowship from UC. She Chaired (2009) & Vice-chaired (2007) the Gordon Research Conference (GRC) on the Physics & Chemistry of Microfluidics, has served on the technical program committee for several international conferences and is on the Editorial Board of the peer-reviewed international journal Electrophoresis. Her web address is http://herrlab.berkeley.edu.

Seminar Sponsors:

The Isolation of Circulating Tumor Cells from Blood by High Throughput Dielectrophoretic Methods

The application of dielectrophoretic field-flow fractionation (depFFF) to the isolation of circulating tumor cells (CTCs) from clinical blood specimens was studied using simulated cell mixtures of three different cultured tumor cell types with peripheral blood.

The Isolation of Circulating Tumor Cells from Blood by High Throughput Dielectrophoretic Methods

Start:

10/2/2012 at 3:30PM

End:

10/2/2012 at 5:30PM

Location:

102 DeBartolo Hall

Host:

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Jeremiah Zartman

Jeremiah  Zartman

VIEW FULL PROFILE Email: zartman.3@nd.edu
Phone: 574-631-0455
Website: http://www.nd.edu/~jzartman/
Office: 122C Cushing Hall

Affiliations

College of Engineering Assistant Professor
Bioengineering Graduate Program Assistant Professor
Developing new strategies for building tissues and treating degenerative tissue diseases requires investigating animal development from an engineering perspective. Probing animal development with quantitative tools can potentially improve traditional methods of tissue engineering as well as ...
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The application of dielectrophoretic field-flow fractionation (depFFF) to the isolation of circulating tumor cells (CTCs) from clinical blood specimens was studied using simulated cell mixtures of three different cultured tumor cell types with peripheral blood. The depFFF method can not only exploit intrinsic tumor cell properties so that labeling is unnecessary but can also deliver unmodified, viable tumor cells for culture and/or all types of molecular analysis. We investigated tumor cell recovery efficiency as a function of cell loading for a 25 mm wide × 300 mm long depFFF chamber. More than 90% of tumor cells were recovered for small samples but a larger chamber will be required if similarly high recovery efficiencies are to be realized for 10 mL blood specimens used CTC analysis in clinics. We show that the factor limiting isolation efficiency is cell–cell dielectric interactions and that isolation protocols should be completed within ∼15 min in order to avoid changes in cell dielectric properties associated with ion leakage. – The Journal of Electrophoresis (P.Gascoyne, J. Noshari, T. Anderson, F. Becker)

Seminar Speaker:

Dr. Peter R. C. Gascoyne

Dr. Peter R. C. Gascoyne

The University of Texas at Houston M.D. Cancer Center

Dr. Peter Gascoyne received both his B.S. in Physics and Electrical Materials Sciences and his PhD in Electronics/Biophysics from the University College of North Wales in Bangor, Wales. Since 2000, Dr. Gascoyne has been a professor primarily at the University of Texas M.D. Anderson Cancer Center in Houston, Texas, where he serves as a professor in the Department of Imaging Physics. He also holds adjunct professorships in the Division of Pathology/Lab Medicine at the Department of Molecular Pathology at the University of Texas’ Graduate School of Biological Sciences and the Department of Biomedical Engineering at the University of Texas at Austin. In addition, in Pathumthani, Thailand, Dr. Gascoyne is an associate faculty member at the Chulaborn Research Institute at the Asian Institute of Technology. Dr. Gascoyne’s research interests include laboratory-on-chip methods for cell diagnostics and molecular analysis, dielectric particle and droplet manipulation in microfluidic platforms, and membrane biophysical differences between normal and transformed cells. The State of Texas Cancer Prevention and Research Institute of Texas currently provides support for Dr. Gascoyne’s current research on free microfluidic isolation and molecular analysis of circulating cancer cells.

Seminar Sponsors:

Controlling Selectivity in Heterogeneous Catalysis

Performing selective reactions of reagents with multiple functional groups is a challenging objective, since each functional group can potentially adsorb and react on a catalytic surface.

Controlling Selectivity in Heterogeneous Catalysis

Start:

11/13/2012 at 3:30PM

End:

11/13/2012 at 5:30PM

Location:

102 DeBartolo Hall

Host:

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Jason Hicks

Jason Hicks

VIEW FULL PROFILE Email: jhicks3@nd.edu
Phone: 574-631-3661
Website: http://www3.nd.edu/~jhicks3/Home.html
Office: 174 Fitzpatrick Hall

Affiliations

College of Engineering Associate Professor
Our research group is primarily focused in the area of heterogeneous catalysis.  We apply concepts from materials science, inorganic chemistry, and chemical reaction engineering to design new catalytic materials for energy applications.  We focus primarily on the synthesis and optimization of new ...
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Performing selective reactions of reagents with multiple functional groups is a challenging objective, since each functional group can potentially adsorb and react on a catalytic surface. Addressing this problem is particularly important for the conversion of biomass to chemicals and fuels, because carbohydrates and their downstream intermediates contain multiple reactive functional groups. For example, furfural and hydroxymethyl furfural (HMF), which can be produced in high volumes from dehydration of sugars, contain one or more oxygenate (alcohol or aldehyde) functions together with a furan ring. Alcohols, aldehydes, and furan in isolation are all reactive on Pt-group metal surfaces, and the individual reaction pathways of each group are observable when these functions are located on the same molecule. Furthermore, the multiple functions on furfuryl oxygenates have synergistic effects on reactivity, opening up additional reaction pathways not available to reagents containing only a single functional group. Thus, controlling selectivity through heterogeneous catalyst design is highly complex. Our group has explored several techniques for aligning multifunctional molecules above metal surfaces to promote selective reaction of a particular functional group. One such approach involves the modification of supported metal catalysts with organic ligands such as alkanethiols. Alkanethiols can be deposited on metal surfaces to form organized self-assembled monolayers (SAMs) that can potentially cause reagent molecules to adopt particular orientations above the metal surface, altering selectivity. We have recently shown that such a strategy can be applied to technical supported catalysts such as Pd/Al2O3. For example, this attachment strategy has resulted in an increase in the selectivity to the desired product during 1-epoxy-3-butene (EpB) hydrogenation from <20% on an uncoated catalyst to >90% on a SAM-coated catalyst at equivalent reaction conditions and conversion. Even more intriguingly, the rate of reaction increases markedly as a function of the thickness and organization of the organic layer, such that the rate of desired product formation is comparable on densely SAM-coated catalysts and uncoated catalysts. In this presentation, studies of the mechanism for these effects will be discussed, as will applications of SAM modified catalysts to other reaction systems.

Seminar Speaker:

Dr. Will Medlin

Dr. Will Medlin

University of Colorado

Will Medlin obtained his PhD degree in chemical engineering at the University of Delaware in 2001 with Mark A. Barteau. He was a post-doctoral researcher at Sandia National Laboratories from 2001 until 2003, when he joined the faculty at the University of Colorado (CU). He is currently an Associate Professor and Associate Chair of Chemical and Biological Engineering at CU. He is the co-founder and CU Site Director for the Colorado Center for Biorefining and Biofuels (C2B2), and is a founding fellow of the joint CU/NREL Renewable and Sustainable Energy Institute (RASEI). He has been awarded several prizes, including the NSF CAREER and ONR Young Investigator Awards and the ConocoPhillips Faculty Fellowship.

Seminar Sponsors:

Electrically Guiding Cells - In Wound Healing and the Implication in Regenerative Medicine

Our body generates electricity. In addition to fast fluctuating electrical pulses in the nerve and muscles, more steady DC electric currents are found at wounds.

Electrically Guiding Cells - In Wound Healing and the Implication in Regenerative Medicine

Start:

10/23/2012 at 3:30PM

End:

10/23/2012 at 5:30PM

Location:

102 DeBartolo Hall

Host:

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Jeremiah Zartman

Jeremiah  Zartman

VIEW FULL PROFILE Email: zartman.3@nd.edu
Phone: 574-631-0455
Website: http://www.nd.edu/~jzartman/
Office: 122C Cushing Hall

Affiliations

College of Engineering Assistant Professor
Bioengineering Graduate Program Assistant Professor
Developing new strategies for building tissues and treating degenerative tissue diseases requires investigating animal development from an engineering perspective. Probing animal development with quantitative tools can potentially improve traditional methods of tissue engineering as well as ...
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Our body generates electricity. In addition to fast fluctuating electrical pulses in the nerve and muscles, more steady DC electric currents are found at wounds. Zhao’s group demonstrated that such electric fields send powerful signals to regulate cell migration and wound healing. He will present data demonstrating how the wound generates electric fields; how cells respond to electric fields, and some more recent experimental evidences suggesting important roles of electric stimulation in wound healing, regeneration and more.

Seminar Speaker:

Dr. Min Zhao

Dr. Min Zhao

University of California, Davis

Professor Zhao received his M.D. in Clinical Medicine (1985) and his Ph.D in Surgery/Pathology (1991) from the 3rd Military Medical University in Chongqing, China. Zhao was a post-doctoral fellow (1994) in Molecular Biology at the University College London. At the University of Aberdeen in Scotland, Zhao held the positions of research fellow, lecturer, senior lecturer, professor, and personal chair. In 2007, he moved to the states to become a professor and perform research at the UC Davis School of Medicine. As a member of the Center for Neurosciences and Institute for Regenerative Cures at UC Davis, his group has established close collaboration with experts in stem cell biology, neurosurgery, electronic engineering, nanofabrication, electrophysiology and brain imaging.

Seminar Sponsors:

Insight into the Kinetics of Oligomer Formation During Amyloidosis

Although the critical causative proteins for more than 20 amyloid diseases have been identified, the process and mechanism by which these proteins induce disease are unknown.

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Reilly Lectureship - Lecture 1: Protein Analogous Micelles: Versatile, Modular Nanoparticles

Peptides are functional modules of protein macromolecules that can be displayed apart from the whole protein to create biofunctional surfaces and interfaces, or can be re-assembled in new ways to create synthetic mimics of protein structures.

Reilly Lectureship - Lecture 1: Protein Analogous Micelles: Versatile, Modular Nanoparticles

Start:

2/5/2013 at 3:30PM

End:

2/5/2013 at 4:45PM

Location:

140 DeBartolo Hall

Host:

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Edward Maginn

Edward Maginn

VIEW FULL PROFILE Email: ed@nd.edu
Phone: 574-631-5687
Website: http://www.nd.edu/~ed/
Office: 182A Fitzpatrick Hall

Affiliations

Department of Chemical and Biomolecular Engineering Dorini Family Professor of Energy Studies and Department Chair
College of Engineering Dorini Family Professor of Energy Studies and Chair of the Department of Chemical and Biomolecular Engineering
The research in our group focuses on developing a fundamental understanding of the link between the physical properties of materials and their chemical constitution. Much of our work is devoted to applications related to energy and the environment. The main tool we use is molecular simulation. In ...
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Peptides are functional modules of protein macromolecules that can be displayed apart from the whole protein to create biofunctional surfaces and interfaces, or can be re-assembled in new ways to create synthetic mimics of protein structures. Each of these routes are being employed to gain new insight into protein folding and to develop new, functional, biomolecular materials. Examples of work from our laboratory in this area using peptide-lipid conjugate molecules (peptide amphiphiles) will be discussed relating to multi-functional surfaces, DNA-binding peptide assemblies, and protein analogous micelles for cancer and cardiovascular therapeutics.

Seminar Speaker:

Matthew Tirrell

Matthew Tirrell

University of Chicago

Matthew Tirrell is the Pritzker Director of the Institute for Molecular Engineering at the University of Chicago, and Senior Scientist at the Argonne National Laboratory. Tirrell received a B.S. in Chemical Engineering at Northwestern and a Ph.D. in 1977 in Polymer Science at the University of Massachusetts. From 1977-1999, he was on the faculty of Chemical Engineering & Materials Science at the University of Minnesota; he served as head from 1995-99. From 1999-2009, Tirrell was Dean of Engineering and Professor of Chemical Engineering and Materials at UC Santa Barbara. From 2009-11, Tirrell was chair of Bioengineering at UC Berkeley and Faculty Scientist at the Lawrence Berkeley National Laboratory. Research has been in polymer surface properties, adsorption, adhesion, surface treatment, friction, lubrication, biocompatibility and self-assembly. Co-author of 300+ papers and one book, he has supervised about 80 Ph.D. students and 40 postdocs. Tirrell has held Sloan and Guggenheim Fellowships, been a Dreyfus Foundation Teacher-Scholar, has received the Colburn, Stine, Walker, Professional Progress, and Institute Lecturer Awards from AIChE. Tirrell received the 2012 Polymer Physics Prize from the American Physical Society. He is a member of the NAE, the American Academy of Arts & Sciences and the Indian NAE, and a Fellow of the American Institute of Medical and Biological Engineers, the AAAS, and the APS. He is advisor to several companies, both multi-national and start-up, and is a member of the Board of Directors of the Camille & Henry Dreyfus Foundation.

Seminar Sponsors:

Reilly Lectureship - Lecture 2: Building an Institute for Engineering Innovation

The University of Chicago has launched a new approach to engineering research and education known as the Institute for Molecular Engineering (IME).

Reilly Lectureship - Lecture 2: Building an Institute for Engineering Innovation

Start:

2/6/2013 at 3:30PM

End:

2/6/2013 at 4:45PM

Location:

Andrews Auditorium, Geddes Hall

Host:

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Edward Maginn

Edward Maginn

VIEW FULL PROFILE Email: ed@nd.edu
Phone: 574-631-5687
Website: http://www.nd.edu/~ed/
Office: 182A Fitzpatrick Hall

Affiliations

Department of Chemical and Biomolecular Engineering Dorini Family Professor of Energy Studies and Department Chair
College of Engineering Dorini Family Professor of Energy Studies and Chair of the Department of Chemical and Biomolecular Engineering
The research in our group focuses on developing a fundamental understanding of the link between the physical properties of materials and their chemical constitution. Much of our work is devoted to applications related to energy and the environment. The main tool we use is molecular simulation. In ...
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The University of Chicago has launched a new approach to engineering research and education known as the Institute for Molecular Engineering (IME). A faculty initially of 25 members is being assembled spanning the set of engineering expertise needed to do engineering from the molecular level up: synthesis of materials, fabrication and processing, computational modeling, manipulating and mimicking biology, imaging and other tools for “seeing” at the molecular level. The most innovative aspect of his program is to create a new model for an engineering program that transcends disciplinary boundaries from the outset. It is called an institute because it has the character of an interdisciplinary research institute, but also the autonomy and authority of an academic unit to hire its own faculty reporting to the provost of the university. Thus, IME will have the size of a department, the status of a school and the style and spirit of a research institute. The progress and prognosis for the development of IME will be described.

Seminar Speaker:

Matthew Tirrell

Matthew Tirrell

University of Chicago

Matthew Tirrell is the Pritzker Director of the Institute for Molecular Engineering at the University of Chicago, and Senior Scientist at the Argonne National Laboratory. Tirrell received a B.S. in Chemical Engineering at Northwestern and a Ph.D. in 1977 in Polymer Science at the University of Massachusetts. From 1977-1999, he was on the faculty of Chemical Engineering & Materials Science at the University of Minnesota; he served as head from 1995-99. From 1999-2009, Tirrell was Dean of Engineering and Professor of Chemical Engineering and Materials at UC Santa Barbara. From 2009-11, Tirrell was chair of Bioengineering at UC Berkeley and Faculty Scientist at the Lawrence Berkeley National Laboratory. Research has been in polymer surface properties, adsorption, adhesion, surface treatment, friction, lubrication, biocompatibility and self-assembly. Co-author of 300+ papers and one book, he has supervised about 80 Ph.D. students and 40 postdocs. Tirrell has held Sloan and Guggenheim Fellowships, been a Dreyfus Foundation Teacher-Scholar, has received the Colburn, Stine, Walker, Professional Progress, and Institute Lecturer Awards from AIChE. Tirrell received the 2012 Polymer Physics Prize from the American Physical Society. He is a member of the NAE, the American Academy of Arts & Sciences and the Indian NAE, and a Fellow of the American Institute of Medical and Biological Engineers, the AAAS, and the APS. He is advisor to several companies, both multi-national and start-up, and is a member of the Board of Directors of the Camille & Henry Dreyfus Foundation.

Seminar Sponsors:

Giant Molecules based on Nano-atoms

In order to create new functional materials for advanced technologies, both control over functionality and their hierarchical structures and orders are vital for obtaining the desired properties.

Giant Molecules based on Nano-atoms

Start:

2/12/2013 at 3:30PM

End:

2/12/2013 at 4:45PM

Location:

140 Debartolo Hall

Host:

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Ruilan Guo

Ruilan Guo

VIEW FULL PROFILE Email: rguo@nd.edu
Phone: 574-631-3453
Office: 121C Cushing Hall

Affiliations

College of Engineering Assistant Professor
Research in the Guo group combines engineering and chemistry principles for the design, synthesis and characterization of functional polymer and polymer-based membrane materials with applications in the areas impacting both energy and the environment.  Topics of the group’s research span several ...
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In order to create new functional materials for advanced technologies, both control over functionality and their hierarchical structures and orders are vital for obtaining the desired properties. We utilized and functionalized fullerene (C60) and polyhedral oligomeric silsesquioxane (POSS), and assembled these particles with polymers to form shape anphiphiles. One of the most illustrating examples is a series of novel “giant surfactants and lipids” possessing a precisely-defined amphiphilic head and polymeric tails. A range of molecular architectures of this class of materials have been synthesized and their self-assembly processes in solution, in thin film and the condensed bulk have been investigated. Another set of examples is “nano-atoms” which are designed to possess features of molecular Janus particles with both geometrical and chemical symmetry breakings. When specific interactions are introduced, these “nano-atoms" are functioned as building blocks to construct different amplified molecules and further to self-assemble into hierarchical ordered structures. Their thermodynamic phase behaviors and kinetic pathways are studied to understand this new class of functional materials and their potential applications in advanced technologies.

Seminar Speaker:

Dr. Stephen Z. D. Cheng

Dr. Stephen Z. D. Cheng

University of Akron

Stephen Z. D. Cheng received his Ph.D. degree at Rensselaer Polytechnic Institute at Troy, New York in 1985. His research interests are in the area of polymer chemistry, physics and engineering including crystal structure, crystal morphology, transition thermodynamics, kinetics, molecular motions, liquid crystals, liquid crystalline polymers, hybrid materials and phase transitions of these materials with different shapes, chemical and physical architectures and interactions, as well as in nanoconfined environments. He is also in the developing researches in high performance polymers, conducting polymers, photovoltaics, and polymer photonics. He currently holds the Robert C. Musson and Trustees Professor and Dean, College of Polymer Science and Polymer Engineering at The University of Akron. More than 70 Ph.D. students and 17 M.S. students have been graduated from his research group. He has published 430 articles (H index: 57 with a citation number of >11,000) and one book titled “Phase Transitions in Polymers: The Role of Metastable States” in 2008, and given over 650 invited talks and lectures. He has received numerous awards and fellowships. In 2008, he was selected to be a member of the National Academic of Engineering.

Seminar Sponsors:

Engineering bacterial communities antimicrobials

One of the unsolved problems in human health and disease is the control of pathogens, such as antibiotic-resistant forms of bacteria. In this talk, we will briefly describe three vignettes where physical chemistry-based approaches have been useful.

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Atmospheric-Pressure Ionization: Processes and Applications

In this talk, multiple projects my research group is currently pursuing on developing, understanding, and applying new techniques for atmospheric-pressure ionization will be discussed.

Atmospheric-Pressure Ionization: Processes and Applications

Start:

3/5/2013 at 3:30PM

End:

3/5/2013 at 4:45PM

Location:

140 DeBartolo Hall

Host:

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Edward Maginn

Edward Maginn

VIEW FULL PROFILE Email: ed@nd.edu
Phone: 574-631-5687
Website: http://www.nd.edu/~ed/
Office: 182A Fitzpatrick Hall

Affiliations

Department of Chemical and Biomolecular Engineering Dorini Family Professor of Energy Studies and Department Chair
College of Engineering Dorini Family Professor of Energy Studies and Chair of the Department of Chemical and Biomolecular Engineering
The research in our group focuses on developing a fundamental understanding of the link between the physical properties of materials and their chemical constitution. Much of our work is devoted to applications related to energy and the environment. The main tool we use is molecular simulation. In ...
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Over the past few decades, there have been multiple revolutions in how ions are produced in the gas phase influencing the way we approach multiple fields today. For example, the advent of the electrospray to form gaseous ions from liquid solutions has transformed modern-day mass spectrometry. Similarly, the development of stable, atmospheric-pressure gas discharges or plasmas has spawned applications ranging from lighting to wound healing. In this talk, multiple projects my research group is currently pursuing on developing, understanding, and applying new techniques for atmospheric-pressure ionization will be discussed. In the field of plasma engineering, we focus on new ways to generate charges in atmospheric air, either through gaseous ionization or surface electron emission, and how these charges interact with neutral gases and surfaces. Specific areas of research that will be covered include corona discharges, microplasma jets, and microscale (< 10 um) discharges for applications ranging from flow generation to materials synthesis. In the field of sprays, we focus on new ways to create gaseous ions from liquid solution and how to utilize these techniques for chemical measurement and analysis. Specifically, we will discuss alternating current (AC) electrospray ionization and surface acoustic wave nebulization (SAWN) as new ionization techniques for mass spectrometry. Though they are similar to other established techniques, they are fundamentally different and offer new advantages that can be used in fields as diverse as proteomics and small drug detection. In both of these areas, we will emphasize emerging areas of interest and future directions of research.

Seminar Speaker:

Dr. David Go

Dr. David Go

AME - Notre Dame

David B. Go holds a B.S. in Mechanical Engineering from the University of Notre Dame, M.S. in Aerospace Engineering from the University of Cincinnati, and Ph.D. in Mechanical Engineering from Purdue University. After graduating with a Ph.D., he joined the faculty at the University of Notre Dame in 2008. As an Assistant Professor, he as published in many fields ranging from plasma science and analytical chemistry to electronics cooling and heat transfer. In addition to 19 journal articles, he has contributed to both a book chapter and trade magazine, holds multiple patents, and has over 50 conference presentations and proceedings. Prof. Go’s work is supported by both industry and federal sources, and he has been distinguished with the Air Force Office of Scientific Research Young Investigator Award and the National Science Foundation CAREER award for his research and contributions on microplasmas.

Seminar Sponsors:

Spatiotemporal Regulation of Receptor-Mediated Signaling: Fundamental Mechanistic Discoveries and Applications in Cancer

Throughout the body, cells are cued to proliferate, migrate, differentiate, and die through the action of receptors, membrane-spanning proteins that translate extracellular cues (e.g., ligand binding) into cellular decisions through the regulation of intracellular biochemical pathways. This talk will highlight my lab’s efforts to dissect this process for the epidermal growth factor receptor (EGFR), a receptor tyrosine kinase that plays numerous roles in health and is frequently dysregulated in cancer.

Spatiotemporal Regulation of Receptor-Mediated Signaling: Fundamental Mechanistic Discoveries and Applications in Cancer

Start:

3/19/2013 at 3:30PM

End:

3/19/2013 at 4:45PM

Location:

140 DeBartolo Hall

Host:

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Basar Bilgicer

Basar Bilgicer

VIEW FULL PROFILE Email: bbilgicer@nd.edu
Phone: 574-631-1429
Website: http://www.nd.edu/~bbgroup/
Office: 171 Fitzpatrick Hall

Affiliations

College of Engineering Associate Professor
Multivalent biomolecular interactions are very important in biological systems. A deeper understanding of the thermodynamics and kinetics of multivalent interactions in biological systems is imperative in the development of new diagnostic and therapeutic agents. My lab focuses on both ...
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Throughout the body, cells are cued to proliferate, migrate, differentiate, and die through the action of receptors, membrane-spanning proteins that translate extracellular cues (e.g., ligand binding) into cellular decisions through the regulation of intracellular biochemical pathways. This talk will highlight my lab’s efforts to dissect this process for the epidermal growth factor receptor (EGFR), a receptor tyrosine kinase that plays numerous roles in health and is frequently dysregulated in cancer. In the first part of the talk, I will discuss how computational approaches familiar to chemical engineers can be used to address longstanding fundamental questions in EGFR biology. In particular, I will describe the development of a systems-level model aimed at quantifying the kinetics with which EGFR is negatively regulated by protein tyrosine phosphatases at different intracellular locations. We have recently used this model to make new testable predictions for the effects of phosphatase-mediated regulation on EGFR endocytosis and EGFR inhibition by targeted therapeutics. The second part of my talk will focus on our efforts to understand the determinants of cancer cell response to EGFR inhibitors, which are finding increasing use in the treatment of a number of malignancies. In particular, I will discuss new findings for how a family of oncogenic EGFR mutations promotes cellular sensitivity to EGFR inhibitors by disrupting EGFR endocytosis and perturbing EGFR’s interaction with the protein tyrosine phosphatase SHP2. Overall, the results to be presented highlight new opportunities and challenges for translating our deepened mechanistic understanding into improved approaches for engineering EGFR-mediating signaling.

Seminar Speaker:

Dr. Matthew Lazzara

Dr. Matthew Lazzara

University of Pennsylvania

Dr. Matthew Lazzara did his undergraduate work at the University of Florida, where he earned highest honors in Chemical Engineering. At MIT, he earned his PhD with his dissertation on the “Effects of Plasma Proteins on the Sieving of Macromolecular Tracers on the Kidney.” After completing a postdoctoral appointment at MIT, Dr.Lazzara spent two years as a chemical engineering consultant for Millipore Corporation. He then returned to MIT as a National Cancer Institute NRSA Postdoctoral Fellow in the Department of Biological Engineering. Since 2008, Dr. Lazzara has held the position of Assistant Professor at the University of Pennsylvania, with primary appointment in the department of Chemical and Biomolecular Engineering. Dr. Lazzara’s research interests include cell signaling, receptor trafficking, phosphatases, targeted therapeutics for cancer, and renal physiology. Among a number of research achievements, Dr. Lazzara has developed the first models of effects of multi-solute steric interactions on solute partitioning and sieving in glomerular basement membrane. He also made the first measurements of effects of the plasma protein albumin on the partitioning of the renal tracer ficoll in synthetic hydrogels.

Seminar Sponsors:

A Modeling Framework to Assess Costs and Uncertainties of Carbon Capture Technology Options

This presentation will review the current status of performance and cost estimates for CCS, and discuss the key factors that influence CCS costs.

A Modeling Framework to Assess Costs and Uncertainties of Carbon Capture Technology Options

Start:

4/2/2013 at 3:30PM

End:

4/2/2013 at 4:45PM

Location:

140 DeBartolo Hall

Host:

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Joan Brennecke

Joan Brennecke

VIEW FULL PROFILE Email: jfb@nd.edu
Phone: 574-631-5847
Website: http://www.nd.edu/~jfb/
Office: 180 Fitzpatrick Hall

Affiliations

College of Engineering Keating-Crawford Professor
Joan Brennecke's interests are in the development of environmentally benign solvents and processes. Of particular interest is the use of ionic liquids and carbon dioxide for extractions, separations, and reactions. Ionic liquids are organic salts that in their pure state are liquids at ambient ...
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Global climate change concerns have sparked widespread interest in CO2 capture and storage (CCS) as a method of reducing greenhouse gas emissions from electric power plants and other large industrial facilities. In turn, the high cost of current CCS technology has spawned major R&D programs in the U.S. and elsewhere to develop more cost-effective methods of CO2 capture, the most costly component of the CCS chain. This presentation will review the current status of performance and cost estimates for CCS, and discuss the key factors that influence CCS costs. Because of the large number of variables involved, analysis tools are needed that can help researchers, program managers, policy analysts, and technology developers to systematically evaluate alternative processes options—as well as the risks and potential payoffs of R&D in new technology. One such tool developed by Carnegie Mellon University for the U.S. Department of Energy is the IECM (for Integrated Environmental Control Model) —a publicly available computer model used worldwide to evaluate alternative CCS options for fossil fuel power plants (including PC, IGCC and NGCC designs). Examples of how this modeling framework can be used to evaluate and compare current and emerging technology options for a variety of situations will be discussed and illustrated, along with plans for its future development.

Seminar Speaker:

Dr. Edward S. Rubin

Dr. Edward S. Rubin

Carnegie Mellon University

Dr. Edward S. Rubin is the Alumni Chair Professor of Environmental Engineering and Science at Carnegie Mellon University. He holds joint appointments in the Departments of Engineering & Public Policy, and Mechanical Engineering, and was the founding director of the university’s Center for Energy and Environmental Studies, and the Environmental Institute. He served as a coordinating lead author for the Intergovernmental Panel on Climate Change (IPCC) Special Report on Carbon Dioxide Capture and Storage, and more recently on the U.S. National Academies study of “America’s Climate Choices.” He also served on “blue ribbon” advisory committees to the State of California and the Province of Alberta (Canada) on policies for carbon capture and storage. He is the author of over 300 technical publications and recipient of the Lyman A. Ripperton Award for distinguished achievements as an educator, and the Distinguished Professor of Engineering Award for outstanding achievements in engineering research, education and public service. Dr. Rubin received his bachelor’s degree in mechanical engineering from the City College of New York and his M.S. and Ph.D. degrees from Stanford University.

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Purification of DNA Therapeutics: New Opportunities for Membrane Technology

This talk examines the possibility of using membrane ultrafiltration for the purification of supercoiled plasmid DNA, including removal of host cell-related impurities and product-related isoforms.

Purification of DNA Therapeutics: New Opportunities for Membrane Technology

Start:

4/16/2013 at 3:30PM

End:

4/16/2013 at 4:45PM

Location:

140 DeBartolo Hall

Host:

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William Phillip

William Phillip

VIEW FULL PROFILE Email: wphillip@nd.edu
Phone: 574-631-2708
Website: http://www3.nd.edu/~waterlab/index.html
Office: 121B Cushing Hall

Affiliations

College of Engineering Assistant Professor
Chemical separations are essential to the production of freshwater and the generation of fuels. Traditionally energy-intensive thermal processes have been used to effect these separations. Membrane separations, an alternative to thermally-driven separations, are gaining increased attention because ...
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There is growing interest in using plasmid DNA for gene therapy and DNA-based vaccines. Existing methods for the purification of plasmid DNA are inadequate for large-scale commercial production; thus, there is a critical need for the development of new separations technology specifically targeted for plasmid purification. This talk examines the possibility of using membrane ultrafiltration for the purification of supercoiled plasmid DNA, including removal of host cell-related impurities and product-related isoforms. Plasmid transmission during ultrafiltration was a strong function of filtrate flux and ionic strength. This flux-dependence was described using a model that accounts for the elongation of the plasmid associated with the converging flow into the membrane pores. Plasmid sieving coefficients were in good agreement with model calculations over a wide range of conditions, providing an appropriate framework for analysis of plasmid ultrafiltration data. Transmission of the open circular DNA was significantly less than that of the supercoiled plasmid, while transmission of the linear DNA was considerably enhanced due to differences in the conformational flexibility of these DNA isoforms. These data were used to identify appropriate conditions for purification of the desired supercoiled isoform. The results clearly demonstrate the potential application of ultrafiltration for the commercial-scale purification of plasmid DNA.

Seminar Speaker:

Dr. Andrew Zydney

Dr. Andrew Zydney

The Pennsylvania State University

Dr. Andrew L. Zydney is currently Department Head and Walter L. Robb Family Endowed Chair in the Department of Chemical Engineering at The Pennsylvania State University. Professor Zydney received his Ph.D. in Chemical Engineering from M.I.T. in 1985, and he was a faculty member in the Chemical Engineering Department at the University of Delaware from 1985 - 2001. Professor Zydney's research is focused on membrane science and technology, with a particular emphasis on bioseparations and the purification of high value biological products. He has published more than 170 articles on these topics, including invited contributions to the Encyclopedia of Bioprocess Technology and the Handbook of Biomedical Engineering. Professor Zydney is the Editor-in-Chief of the Journal of Membrane Science, and he serves on the Editorial Boards for Separation and Purification Reviews, Separation Science and Technology, Journal of Colloid and Interface Science, and Biotechnology and Bioengineering. He served as President of the North American Membrane Society in 2002 - 2003, he was elected a fellow of the American Institute of Medical and Biological Engineers in 1998, he received the Excellence in Teaching Award from the University of Delaware in 1994, and he is a past recipient of the Distinguished Teacher Award (1999) and the Outstanding Young Faculty Award (1990) from the American Society of Engineering Education.

Seminar Sponsors:

Catalytic Routes for the Conversion of C1 Feedstock

Non-petroleum resources will play a critical role in supplying the planet with energy carriers in the future. As raw materials for fuels, biomass and light alkanes lie at opposite ends of the chemical spectrum. Light alkanes are inert and their chemical conversion involves the removal of hydrogen and may involve oxygen addition while, biomass-feedstock contains oxygen, the removal of which limits biomass-to-fuels conversion and involves the addition of hydrogen. I will describe our results related to coupling biomass-deoxygenatation with alkane-dehydrogenation pathways over zeolite catalysts so that in essence, alkanes serve as a surrogate for molecular hydrogen for biomass deoxygenation while biomass serves as the oxygen carrier for hydrogen removal from alkanes

Catalytic Routes for the Conversion of C1 Feedstock

Start:

4/23/2013 at 3:30PM

End:

4/23/2013 at 4:45PM

Location:

140 DeBartolo Hall

Host:

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Jason Hicks

Jason Hicks

VIEW FULL PROFILE Email: jhicks3@nd.edu
Phone: 574-631-3661
Website: http://www3.nd.edu/~jhicks3/Home.html
Office: 174 Fitzpatrick Hall

Affiliations

College of Engineering Associate Professor
Our research group is primarily focused in the area of heterogeneous catalysis.  We apply concepts from materials science, inorganic chemistry, and chemical reaction engineering to design new catalytic materials for energy applications.  We focus primarily on the synthesis and optimization of new ...
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Non-petroleum resources will play a critical role in supplying the planet with energy carriers in the future. As raw materials for fuels, biomass and light alkanes lie at opposite ends of the chemical spectrum. Light alkanes are inert and their chemical conversion involves the removal of hydrogen and may involve oxygen addition while, biomass-feedstock contains oxygen, the removal of which limits biomass-to-fuels conversion and involves the addition of hydrogen. I will describe our results related to coupling biomass-deoxygenatation with alkane-dehydrogenation pathways over zeolite catalysts so that in essence, alkanes serve as a surrogate for molecular hydrogen for biomass deoxygenation while biomass serves as the oxygen carrier for hydrogen removal from alkanes. The indirect C1 route for conversion of non-petroleum carbon feedstock via methanol as a platform chemical is feedstock agnostic and offers a high degree of flexibility in the choice of products. The methanol-to-hydrocarbons (MTH) process, originally invented by Mobil, is unique in its ability to form carbon chains while concurrently restricting carbon chain length based on the sub-nanometer pore size of the inorganic zeolite catalyst. In the ‘hydrocarbon pool’ mechanism for MTH chemistry, olefin and arene intermediates, contained within the zeolite micropores act as scaffolds for carbon-carbon bond formation. The catalytic behavior of MTH systems is, therefore, determined not only by the structural and compositional features of the zeolite but also by the organic co-catalyst that comprises the hydrocarbon pool. Steady state, transient, and isotopic labeling studies were done to show that the relative contribution of the olefin and arene methylation cycles prevalent in MTH conversion over zeolites can be systematically modulated to control selectivity in MTH and, therefore, provide catalytic routes for converting any gasifiable carbon source to specific fuel or chemical products. These studies highlight the critical role of C1 conversion in producing synthetic fuels and chemicals from non-conventional carbon containing feedstock to meet future energy demands while managing the environmental consequences of energy conversion.

Seminar Speaker:

Aditya Bhan

Aditya Bhan

University of Minnesota

Aditya Bhan received his Bachelor of Technology (B. Tech.) in Chemical Engineering from IIT Kanpur in 2000 and his PhD in Chemical Engineering from Purdue University in 2005. From January 2005 to August 2007, Dr. Bhan was a postdoctoral scholar at the University of California at Berkeley. Since September 2007, Dr. Bhan has been an Assistant Professor in the Department of Chemical Engineering and Materials Science at the University of Minnesota. Dr. Bhan leads a research group that focuses on the structural and mechanistic characterization of inorganic molecular sieve catalysts useful in energy conversion and petrochemical synthesis. His group at the University of Minnesota has been recognized with the DOE Early Career Award, the NSF Career Award, the McKnight Land Grant Professorship, and the 3M Non-tenured Faculty Award.

Seminar Sponsors:

Discovering the behavior of biomolecules at interfaces and in novel solvents with “bottom up” multiscale modeling

Computational models such as molecular dynamics (MD) hold great potential for connecting the atomic scale to the mesoscale for a wide range of problems of engineering interest.

Discovering the behavior of biomolecules at interfaces and in novel solvents with “bottom up” multiscale modeling

Start:

9/10/2013 at 3:30PM

End:

9/10/2013 at 4:30PM

Location:

Eck Visitors Center Auditorium

Host:

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Edward Maginn

Edward Maginn

VIEW FULL PROFILE Email: ed@nd.edu
Phone: 574-631-5687
Website: http://www.nd.edu/~ed/
Office: 182A Fitzpatrick Hall

Affiliations

Department of Chemical and Biomolecular Engineering Dorini Family Professor of Energy Studies and Department Chair
College of Engineering Dorini Family Professor of Energy Studies and Chair of the Department of Chemical and Biomolecular Engineering
The research in our group focuses on developing a fundamental understanding of the link between the physical properties of materials and their chemical constitution. Much of our work is devoted to applications related to energy and the environment. The main tool we use is molecular simulation. In ...
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Computational models such as molecular dynamics (MD) hold great potential for connecting the atomic scale to the mesoscale for a wide range of problems of engineering interest. Unfortunately, severe computational restrictions often limit wide-ranging use of these tools to their full potential. New multiscale modeling algorithms that are based on MD have been developed that can overcome these challenges, dramatically increasing the computer’s viability as a tool for computation-driven discovery. The first part of this talk will highlight how we are using simulations to study thermodynamic driving forces that lead to unique orientation and conformation of peptides on surfaces. We applied the metadynamics method to studying adsorption of LK peptides on self-assembled monolayers. A discussion of how the biased simulations can be reweighted to recover unbiased estimates of experimentally relevant observables is also presented. The second part of the talk will discuss recent work from our group exploring how nonnative media like toluene or ionic liquids changes the equilibrium behavior of enzymes. The model systems explored are Candida rugosa lipase A and a family 11 glycoside hydrolase.

Seminar Speaker:

James Pfaendtner

James Pfaendtner

University of Washington

Jim Pfaendtner holds a B.S. in ChE (GA Tech, 2001) and a PhD in Chemical Engineering (Northwestern University, 2007). He joined the faculty of University of Washington in 2009 as an assistant professor. Prior to joining the UW he received an NSF IRFP postdoctoral fellowship to work under the supervision of Profs Greg Voth and Michele Parrinello. Jim is a 2012 Kavli Fellow of the US National Academy of Science, and recipients of a 2012 NSF CAREER award, a 2013 ACS OpenEye Outstanding Junior Faculty in Computation Award recipient, and a 2013 University of Washington Presidential Distinguished Teaching Award. Jim’s research group focuses on development and application of computational tools for multiscale modeling and simulation of soft matter systems.

Microtechnologies for High-throughput High-content Developmental Biology and Neurogenetics

Micro technologies provide the appropriate length scale for investigating molecules, cells, and small organisms; moreover, one can also take advantage of unique phenomena associated with small-scale flow and field effects, as well as unprecedented parallelization and automation to gather quantitative and large-scale data about complex biological systems.

Microtechnologies for High-throughput High-content Developmental Biology and Neurogenetics

Start:

9/24/2013 at 3:30PM

End:

9/24/2013 at 4:30PM

Location:

138 DeBartolo Hall

Host:

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Hsueh-Chia Chang

Hsueh-Chia Chang

VIEW FULL PROFILE Email: hchang@nd.edu
Phone: 574-631-5697
Website: http://www.nd.edu/~changlab/
Office: 118B Cushing Hall
Curriculum Vitae
We explore and apply electrokinetic phenomena to develop new diagnostic and micro/nanofluidic devices that are portable, sensitive and fast. We are particularly interested in designing new molecular sensing and analysis technologies based on AC and non-equilibrium electrokinetics at the surface of ...
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My lab is interested in engineering micro systems to address questions in systems neuroscience, developmental biology, and cell biology that are difficult to answer with conventional techniques. Micro technologies provide the appropriate length scale for investigating molecules, cells, and small organisms; moreover, one can also take advantage of unique phenomena associated with small-scale flow and field effects, as well as unprecedented parallelization and automation to gather quantitative and large-scale data about complex biological systems. I will show microfluidic systems coupled with artificial intelligence for automated high-resolution imaging and high-throughput genetic screens in C. elegans, and chips for imaging embryos and cells for developmental and functional studies. I will show micro systems for optogenetic experiments to dissect the function of neural circuits and behavioral output. Our methods enable such systems level studies 100-1000 times faster than traditionally done, and in many occasions yield unique quantitative data that cannot be obtained otherwise.

Seminar Speaker:

Hang Lu

Hang Lu

Georgia Tech

Hang Lu is a Professor in the School of Chemical and Biomolecular Engineering. She graduated summa cum laude from the University of Illinois at Urbana-Champaign in 1998 with a B.S. in Chemical Engineering. She has a Master’s degree in Chemical Engineering Practice from MIT (2000). She obtained her Ph.D. in Chemical Engineering in 2003 from MIT working with Dr. Klavs F. Jensen (Chemical Engineering) and Dr. Martin A. Schmidt (Electrical Engineering and Computer Sciences) on microfabricated devices for cellular and subcellular analysis for the study of programmed cell death. Between 2003 and 2005, she pursued a postdoctoral fellowship with neurogeneticist Dr. Cornelia I. Bargmann (Howard Hughes Medical Institute investigator, Kavli Prize in Neuroscience 2012) at University of California San Francisco and later at the Rockefeller University on the neural basis of behavior in the nematode C. elegans. Her current research interests are microfluidics and its applications in neurobiology, cell biology, cancer, and biotechnology. Her award and honors include the ACS Analytical Chemistry Young Innovator Award, a National Science Foundation CAREER award, an Alfred P. Sloan Foundation Research Fellowship, a DuPont Young Professor Award, a DARPA Young Faculty Award, Council of Systems Biology in Boston (CSB2) Prize in Systems Biology, and a Georgia Tech Junior Faculty Teaching Excellence Award; she was also named an MIT Technology Review TR35 top innovator, and invited to give the Rensselaer Polytechnic Institute Van Ness Award Lectures in 2011, and the Saville Lecture at Princeton in 2013. She is a member of the NIH ISD study section.

Thiele Lecture: Conversion of solar into chemical energy on plasmonic metal nanostructures

We will show that composite photo-catalysts combing plasmonic metallic nanoparticles of noble metals and semiconductor nanostructures exhibit improved photo-chemical activity compared to conventional photo-catalytic materials.

Thiele Lecture: Conversion of solar into chemical energy on plasmonic metal nanostructures

Start:

10/1/2013 at 3:30PM

End:

10/1/2013 at 4:30PM

Location:

Eck Visitors Center Auditorium

Host:

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William Schneider

William Schneider

VIEW FULL PROFILE Email: wschneider@nd.edu
Phone: 574-631-8754
Website: http://www.nd.edu/~wschnei1/
Office: 123B Cushing Hall
The goal of research in the Schneider group is to develop molecular-level understanding, and ultimately to direct molecular-level design, of chemical reactivity at surfaces and interfaces. This heterogeneous chemistry is a key element of virtually every aspect of the energy enterprise, and is ...
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We will show that composite photo-catalysts combing plasmonic metallic nanoparticles of noble metals and semiconductor nanostructures exhibit improved photo-chemical activity compared to conventional photo-catalytic materials.1,2 We will also show that plasmonic silver nanoparticles, optically excited with low intensity visible light, exhibit direct photo-catalytic activity in a number of oxidation reactions. We will discuss underlying mechanisms associated with these phenomena and predictive models that can capture the outcome of chemical transformations on these materials.2,3,4 We propose that this new family of plasmonic metal photo-catalysts could prove useful for many heterogeneous catalytic processes that cannot be activated using conventional thermal processes on metals or photo-catalytic processes on semiconductors. I will show an example of such a process.5 1. D. B. Ingram, S. Linic, JACS, 133, 5202, 2011 2. Suljo Linic, Phillip Christopher and David B., Nature Materials, 10, 911, 2011. 3. Ingram P. Christopher, H. Xin, S. Linic, Nature Chemistry, 3, 467, 2011. 4. P. Christopher, H. Xin, M. Andiappan, S. Linic, Nature Materials, 11, 1044, 2012. 5. M. Andiappan, J. Zhang, S. Linic, Science, 339, 1590, 2013

Seminar Speaker:

Suljo Linic

Suljo Linic

University of Michigan

Suljo Linic obtained his PhD degree in chemical engineering at the University of Delaware in 2003 under the supervision of Prof. Mark Barteau after receiving his BS degree in Physics with a minor in Mathematics from West Chester University in West Chester (PA). He was Max Planck postdoctoral fellow with Prof. Dr. Matthias Scheffler at the Fritz Haber Institute of Max Planck Society in Berlin (Germany). He started his independent faculty career as assistant professor in 2004 at the Department of Chemical Engineering at the University of Michigan in Ann Arbor where he is currently associate professor of chemical engineering. Prof. Linic’s research has been recognized through multiple awards including the 2011 Nanoscale Science and Engineering Forum Young Investigator Award, awarded by the American Institute of Chemical Engineers, the 2009 ACS Unilever Award, awarded by the Colloids and Surface Science Division of ACS, the 2009 Camille Dreyfus Teacher-Scholar Award, awarded by the Dreyfus Foundation, the 2008 DuPont Young Professor Award, and a 2006 NSF Career Award. Prof. Linic has presented more than 80 invited and keynote lectures and published his work in leading journals.

The Outlook for Energy: A View to 2040

The world’s economy literally runs on energy. To support continued economic progress for the world’s growing population, more energy will be needed.

The Outlook for Energy: A View to 2040

Start:

10/29/2013 at 3:30PM

End:

10/29/2013 at 4:30PM

Location:

Eck Visitors Center Auditorium

Host:

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Edward Maginn

Edward Maginn

VIEW FULL PROFILE Email: ed@nd.edu
Phone: 574-631-5687
Website: http://www.nd.edu/~ed/
Office: 182A Fitzpatrick Hall

Affiliations

Department of Chemical and Biomolecular Engineering Dorini Family Professor of Energy Studies and Department Chair
College of Engineering Dorini Family Professor of Energy Studies and Chair of the Department of Chemical and Biomolecular Engineering
The research in our group focuses on developing a fundamental understanding of the link between the physical properties of materials and their chemical constitution. Much of our work is devoted to applications related to energy and the environment. The main tool we use is molecular simulation. In ...
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The world’s economy literally runs on energy. To support continued economic progress for the world’s growing population, more energy will be needed. Even with significant improvements in energy efficiency, the world’s total energy demand is expected to be approximately 40 percent higher by 2040 than it was in 2010. The vast majority of this demand increase will take place in developing countries, where economies are growing most rapidly and modern energy supplies are still a precious commodity for millions of people. Meeting higher energy requirements poses many challenges, including boosting efficiency, developing new supplies and managing environmental risks. This presentation summarizes ExxonMobil’s long-term outlook for energy. The outlook is developed annually via an ongoing assessment process that has been conducted over decades. The results assist ExxonMobil’s business planning, and are shared publicly to help build understanding of the world’s energy needs and challenges. The presentation focuses on energy demand to the year 2040, with particular emphasis on the increasing needs of the power generation and transportation sectors. It also examines how rising demand will be met from the various energy sources available, including fossil fuels, nuclear power and renewable energies. It also provides insight to the challenge of meeting growing energy needs while significantly mitigating greenhouse global carbon dioxide emissions.

Seminar Speaker:

Thomas F. Degnan, Jr.

Thomas F. Degnan, Jr.

ExxonMobil Research and Engineering Company

Tom received his B.S. in chemical engineering from the University of Notre Dame, a Ph.D. in the same discipline from the University of Delaware, and an M.B.A. in Finance from the University of Minnesota. He spent four years in 3M’s Central Research organization in St. Paul, MN before moving to Mobil Research and Development in 1980. Tom has spent most of his career in exploratory process development, catalysis, catalyst development, and research management working for Mobil and now ExxonMobil Research and Engineering Company. He is presently Manager, New Leads Generation and Breakthrough Technologies and is located at ExxonMobil’s Clinton, NJ facility. He is a member of the North American Catalysis Society, the American Institute of Chemical Engineers, the American Chemical Society and the Research and Development Council of New Jersey.

Identifying New Paradigms in Crystal Engineering for Catalysis and Biomedical Applications

Crystal engineering is a broad area of research that focuses on methods of designing and/or optimizing materials for diverse applications in fields spanning energy to biomedicine.

Identifying New Paradigms in Crystal Engineering for Catalysis and Biomedical Applications

Start:

11/12/2013 at 3:30PM

End:

11/12/2013 at 4:30PM

Location:

Eck Visitors Center Auditorium

Host:

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Jason Hicks

Jason Hicks

VIEW FULL PROFILE Email: jhicks3@nd.edu
Phone: 574-631-3661
Website: http://www3.nd.edu/~jhicks3/Home.html
Office: 174 Fitzpatrick Hall

Affiliations

College of Engineering Associate Professor
Our research group is primarily focused in the area of heterogeneous catalysis.  We apply concepts from materials science, inorganic chemistry, and chemical reaction engineering to design new catalytic materials for energy applications.  We focus primarily on the synthesis and optimization of new ...
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Crystal engineering is a broad area of research that focuses on methods of designing and/or optimizing materials for diverse applications in fields spanning energy to biomedicine. The ability to selectively control crystallization to achieve desired physicochemical properties requires detailed understandings of the thermodynamic and kinetic factors regulating crystal nucleation and growth. Combining this fundamental knowledge with innovative approaches to tailor structural outcomes has the capability of producing materials with superior properties beyond what is achievable by conventional routes. Nature provides numerous examples to inspire rational design of synthetic crystals. A ubiquitous mechanism to control crystal growth is the use of modifiers (also termed inhibitors), which are molecules that interact with specific surfaces of crystals and regulate anisotropic growth rates. In this talk, I will show how we use growth modifiers to control crystallization in two distinctly different, yet fundamentally similar, research areas. In the first part of my talk, I will discuss our work on the development of therapeutic drugs for pathological and infectious diseases, focusing primarily on the design of peptide inhibitors of calcium oxalate monohydrate, the most prevalent constituent of human kidney stones. In the second part of my talk, I will discuss how we are using modifiers as a bio-inspired approach to tailor the properties of zeolites, which are microporous materials utilized in many commercial processes (e.g. catalysis and ion-exchange). Our group employs zeolite growth modifiers (ZGMs) to selectively tune crystal size, morphology, and surface architecture. I will discuss how we select ZGMs and characterize their efficacy and specificity using techniques that probe macroscopic to molecular scales. I will also emphasize the benefits of this facile approach for catalytic applications in fuels and chemicals, and discuss its broader applicability for the synthesis of other materials.

Seminar Speaker:

Jeffrey D. Rimer

Jeffrey D. Rimer

University of Houston

Jeffrey Rimer is the Ernest J. and Barbara M. Henley Assistant Professor of Chemical Engineering at the University of Houston. Rimer received his Ph.D. in Chemical Engineering from the University of Delaware in 2006. Prior to joining the Department of Chemical and Biomolecular Engineering at Houston in 2009, he spent two years as a postdoctoral fellow at New York University’s Molecular Design Institute within the Department of Chemistry. Rimer’s research in the area of crystal engineering focuses on the rational design of materials with specific applications in the synthesis of microporous catalysts and the development of therapeutics for pathological and infectious diseases. Rimer has received several awards, including a fellowship from the Welch Foundation, the ACS Doctoral New Investigator Award, and the NSF CAREER Award. He was also a recent recipient of the Junior Faculty Research Excellence Award from the Cullen College of Engineering at the University of Houston.

Seminar Archives

Start Date Title Description
Apr 26, 2016 08:30 AM Multiscale modeling of soft matter and its Integration to Experiment Roland Faller, Dept. of Chemical Engineering & Materials Science, UC Davis
Apr 19, 2016 08:30 AM Single Molecule Investigations of Heterogeneous Catalysts: Probing solvent effects, active site heterogeneity and adsorbate dynamics Robert M. Rioux Department of Chemical Engineering The Pennsylvania State University
Apr 06, 2016 08:30 AM Reilly Lecture: Powering the Future with Sustainable Energy: How Do We Get There? Stacey F. Bent, Department of Chemical Engineering, Stanford University
Apr 05, 2016 08:30 AM Reilly Lecture: Layer-by-Layer Synthesis of Nanoscale Materials for Energy Conversion Stacey F. Bent, Department of Chemical Engineering Stanford University
Mar 22, 2016 08:30 AM Harnessing Engineering and Biology to Understand Cell Locomotion in Confinement Konstantinos Konstantopoulos, Professor and Chair, Department of Chemical & Biomolecular Engineering, The Johns Hopkins University
Jan 28, 2016 07:30 AM Engineering soft matter through particle shape and surface features
Jan 26, 2016 07:30 AM Supramolecular Engineering of Peptide and Protein Therapeutics
Jan 21, 2016 07:30 AM Heterogeneous Catalysis: Synthesis, Spectroscopy and Kinetics of Supported Metal Oxide Catalysts for Natural Gas Upgrading
Dec 01, 2015 10:30 AM Ernest W. Thiele Lectureship presents Samuel K. Sia, Microfluidics for 3D tissue engineering and personal health diagnostics Fall Graduate Seminar Series Presents Sam Sia for the 2015 Thiele Lecture
Nov 17, 2015 10:30 AM Electrodialysis and Water-Oil Separations Using Membranes Coated with Polyelectrolyte Brushes and Multilayers Professor Merlin Bruening of Michigan State University has been invited by CBE to give his seminar on Tuesday, November 17, 2015.
Nov 03, 2015 10:30 AM Building Tumor Microenvironments to Breakdown Tumor Metastasis Metastasis is the leading cause of fatality for women diagnosed with breast cancer. The most common anatomical sites of distant tumor growth include the brain, ...
Nov 02, 2015 10:30 AM Edison Lecture: New Concepts in Biosensing using Single Walled Carbon Nanotubes and Graphene Our lab at MIT has been interested in how the 1D and 2D electronic structures of carbon nanotubes and graphene respectively can be utilized to advance new conce...
Oct 27, 2015 11:30 AM A 40 Year Journey Through Teaching, Research and Roads Less Travelled How to summarize one’s four-decade journey as a university professor in 40 minutes?
Sep 29, 2015 11:30 AM Nanocomposites with Grafted Nanoparticles
Sep 22, 2015 11:30 AM Computational Design of Highly Selective Transition Metal Catalysts Encapsulated by Metal-Organic Frameworks for Butane Oxidation to 1-Butanol Catalysts are one of the most important technologies in society today, with catalytic processes accounting for nearly 20% of the US GDP. A key focus of catalysi...
Aug 25, 2015 11:30 AM Protic ionic liquids: effect of environment on the extent of proton transfer and CO2 capture.
Apr 21, 2015 11:30 AM Computational Design and Development of Metal-Organic Frameworks (MOFs) for Energy and Environmental Applications The discovery of advanced materials is essential to the development of novel technologies to address challenges related to the production, storage and efficient...
Apr 07, 2015 11:30 AM From Yeast to Man: Systems Analyses Advance Therapeutic Development & Drug Discovery in Complex Diseases Current challenges in therapeutic development, biopharmaceutical production, and limitations of human disease models motivate our pursuit to understand how cell...
Apr 01, 2015 09:00 AM Reilly Lecture: Nanotechnology and Bioengineering in an Evolving Chemical Engineering World Nanotechnology and Bioengineering, have evolved out of chemical engineering because of the need to address important societal problems. Emphasis in such areas ...
Mar 31, 2015 11:30 AM Reilly Lecture: Advances in siRNA and Protein Delivery Through Smart Polymers Engineering the molecular design of intelligent biomaterials by controlling structure, recognition and specificity is the first step in coordinating and duplica...

Controlling Particle Segregation: To Mix or Not To Mix?

Segregation, or un-mixing, of particles can be a costly problem and a source of frustration for industries ranging from pharmaceuticals to ceramics to agriculture. When particles differ in almost any mechanical property—size, density, shape, etc.—they become very difficult to keep homogeneous and this problem can even plague "uniform" materials if their is a size or shape distribution within the sample.

Controlling Particle Segregation: To Mix or Not To Mix?

Start:

11/19/2013 at 3:30PM

End:

11/19/2013 at 4:30PM

Location:

138 DeBartolo Hall

Host:

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Mark McCready

Mark McCready

VIEW FULL PROFILE Email: mjm@nd.edu
Phone: 574-631-7146
Office: 182 Fitzpatrick Hall

Affiliations

College of Engineering Professor and Senior Associate Dean for Research and Graduate Studies
Multiphase fluid flows in confined geometries CO 2 absorption and reaction in multiphase systems Micro fuel cell technologies Fundamentals of phase change processes
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Did you ever notice that the first bowl of raisin bran has no raisins and the last one is almost *all* raisins? This is a minor annoyance at breakfast, but can be life-threatening if the same thing happens when manufacturing your heart medication. Segregation, or un-mixing, of particles can be a costly problem and a source of frustration for industries ranging from pharmaceuticals to ceramics to agriculture. When particles differ in almost any mechanical property—size, density, shape, etc.—they become very difficult to keep homogeneous and this problem can even plague "uniform" materials if their is a size or shape distribution within the sample. While the majority of early studies of segregation focused on identifying mechanisms and kinetics of segregation processes, this foundational work has allowed a number of recent studies to aim at minimizing the extent of segregation in several industrially-relevant model systems. In this talk, we highlight recent advances in controlling segregation. Specifically, we examine two techniques for segregation control. The first involves using interparticle cohesion, both due to van der Waals forces and/or liquid bridges, either to cause or prevent segregation. The second technique, inspired by fluid mixing, allows us to exploit flow perturbations to limit or even eliminate segregation in free-flowing systems. Time permitting, we will close with a discussion of how similar techniques may be used to devise "green" particle separation techniques.

Seminar Speaker:

Joseph McCarthy

Joseph McCarthy

University of Pittsburgh

Professor McCarthy is a graduate of Notre Dame (class of '93) and Northwestern University. Joe has been at Pitt for 15 years and is currently the Vice Chair for Education and a WKW Professor of ChE in the Swanson School of Engineering. He uses computational modeling to study the flow, mixing, and segregation of particles for pharmaceutical and materials processing applications.

Next-generation Approaches to Protein Engineering: Synthetic Biology Meets Directed Evolution

In this talk I will present a workflow that leverages advanced technologies for improved library creation, selection, and population characterization to iterate evolution in a rational, directed way.

Next-generation Approaches to Protein Engineering: Synthetic Biology Meets Directed Evolution

Start:

2/13/2014 at 3:30PM

End:

2/13/2014 at 4:30PM

Location:

Eck Visitors Center Auditorium

Host:

College of Engineering close button
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Edward Maginn

Edward Maginn

VIEW FULL PROFILE Email: ed@nd.edu
Phone: 574-631-5687
Website: http://www.nd.edu/~ed/
Office: 182A Fitzpatrick Hall

Affiliations

Department of Chemical and Biomolecular Engineering Dorini Family Professor of Energy Studies and Department Chair
College of Engineering Dorini Family Professor of Energy Studies and Chair of the Department of Chemical and Biomolecular Engineering
The research in our group focuses on developing a fundamental understanding of the link between the physical properties of materials and their chemical constitution. Much of our work is devoted to applications related to energy and the environment. The main tool we use is molecular simulation. In ...
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Directed evolution has proven to be a powerful technique for engineering proteins with improved properties and pathways for improved production of high-value molecules. Its success hinges on three equally important components: (1) creation of diversity in a population and (2) selection of the best performers from that population and (3) iteration. In this talk I will present a workflow that leverages advanced technologies for improved library creation, selection, and population characterization to iterate evolution in a rational, directed way. In the first part of the talk, I will discuss selection tools I have developed for examining protein folding, protein-protein interactions, and post-translational modifications in an important compartment of Escherichia coli, the periplasm. These selections can be used to probe both intrinsic protein folding and factors inside the cellular environment that affect the fate of a protein of interest. Applications include examining aggregation of the Aβ42 peptide (key to the pathogenesis of Alzheimer’s disease), antibody production and engineering, and engineering of bacterial protein glycosylation. In part two, I will talk about how the rapidly advancing technologies of DNA synthesis and sequencing can have a dramatic impact on directed evolution studies. Combining multiplex oligonucleotide synthesis with recombination-mediated genetic engineering (recombineering) provides a platform for generating large, custom-designed libraries with directed mutations. After selection, improved clones can be sent to high-throughput sequencing for rapid, deep population characterization. I discuss applications of this workflow for engineering of orthogonal regulators for cellular circuits, global regulator engineering for biofuel production, and genome-scale characterization of bacterial antibiotic resistance.

Seminar Speaker:

Thomas J. Mansell

Thomas J. Mansell

University of Colorado Boulder

Tom Mansell received B.S. and M.S.E. degrees in Chemical Engineering from The Johns Hopkins University, where he was first exposed to protein engineering, working with allosterically-controlled molecular switches. He attended Cornell University for his Ph.D. in Chemical and Biomolecular Engineering, creating selections for protein folding, interactions, and glycosylation. At Cornell, he was the Corning, Inc. Foundation Science Fellow. Currently he is pursuing post-doctoral studies at the University of Colorado Boulder, creating synthetic biology tools for engineering cellular circuits, antimicrobial tolerance, and biofuel production.

Enabling 3D Microenvironments For Bone Marrow Bioengineering

In this talk, I will introduce bioengineering strategies to develop functional and standardized bone marrow models based on 3D hydrogel scaffolds that closely emulate physical and anatomical features of the bone marrow in a controlled and reproducible manner.

Enabling 3D Microenvironments For Bone Marrow Bioengineering

Start:

3/4/2014 at 3:30PM

End:

3/4/2014 at 4:30PM

Location:

Eck Visitors Center Auditorium

Host:

College of Engineering close button
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Edward Maginn

Edward Maginn

VIEW FULL PROFILE Email: ed@nd.edu
Phone: 574-631-5687
Website: http://www.nd.edu/~ed/
Office: 182A Fitzpatrick Hall

Affiliations

Department of Chemical and Biomolecular Engineering Dorini Family Professor of Energy Studies and Department Chair
College of Engineering Dorini Family Professor of Energy Studies and Chair of the Department of Chemical and Biomolecular Engineering
The research in our group focuses on developing a fundamental understanding of the link between the physical properties of materials and their chemical constitution. Much of our work is devoted to applications related to energy and the environment. The main tool we use is molecular simulation. In ...
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Bone marrow, a sponge-like gelatinous and vascular tissue located at the inside of bone matrix is a vital part of the human body as a major reservoir of adult stem cells, an exclusive site for hematopoiesis, and a key regulator of body homeostasis via continuous cellular trafficking. Bone marrow is also deeply involved in metastasis of many prominent tumors e.g. breast and prostate tumors as a direct metastatic target for disseminated circulating tumor cells and/or a potent instigator of their metastatic spread to other peripheral tissue sites. Therefore, in depth understanding of bone marrow biology is critical to advance many fields of modern medicine. However, probing the bone marrow microenvironments has been challenging because of its anatomical inaccessibility, tissue complexity and lack of relevant preclinical models. In this talk, I will introduce bioengineering strategies to develop functional and standardized bone marrow models based on 3D hydrogel scaffolds that closely emulate physical and anatomical features of the bone marrow in a controlled and reproducible manner. Specifically I will discuss development of in vitro and in vivo human bone marrow tissue analogues combining the 3D hydrogel scaffolds with primary human bone marrow stromal cells that recapitulate essential bone marrow functions with high analytical power. In the last part of my talk, I will introduce an exciting application of our in vivo bone marrow model for studying human prostate tumor metastasis with several enabling features. Biomimetic design of 3D hydrogel scaffolds coupled with a powerful set of material, microfluidic, imaging and cellular engineering tools offer unique opportunity to build functional and analytical preclinical bone marrow models for studying many complex, dynamic physiological and pathological processes in the bone marrow.

Seminar Speaker:

Jungwoo Lee

Jungwoo Lee

Massachusetts General Hospital, Harvard Medical School

Jungwoo Lee received his B.E. in Chemical Engineering from Korea University in 2003 and Ph.D in Biomedical Engineering from the University of Michigan in 2009 under Prof. Nicholas Kotov. He then joined the Center for Engineering in Medicine at Harvard Medical School and Massachusetts General Hospital as a postdoctoral research fellow. Currently Jungwoo is a NIH Pathway to Independence (K99/R00) fellow from National Cancer Institute working with Prof. Daniel Haber (MGH Cancer Center) and Prof. Martin Yarmush. He has authored and co-authored over 24 papers in PNAS, Nature Materials, Biomaterials, Small and other major research journals, and has won several honors and awards including Postdoctoral Fellowship from Shriners Hospital for Children, Poster Distinction Award from Annual MGH Research Symposium, Selection of “Cell Biology 2010” from ASCB Annual meeting, 1st Place in Entrepreneurial Challenging from MRS meeting, Distinguished Achievement Award from Univ. Michigan, and Horace H. Rackham Predoctoral Fellowship. His research has focused on developing preclinical in vitro and in vivo human bone marrow models that can be used in a diverse range of bone marrow related fundamental and translational studies.

Merging Microscale Technologies and Advanced Biomaterials for Cardiovascular Tissue Engineering

Micro- and nanoscale technologies are increasingly used in multidisciplinary research areas such as tissue engineering and biomedical sciences.

Merging Microscale Technologies and Advanced Biomaterials for Cardiovascular Tissue Engineering

Start:

3/6/2014 at 3:30PM

End:

3/6/2014 at 4:30PM

Location:

Hesburgh Center Auditorium

Host:

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Edward Maginn

Edward Maginn

VIEW FULL PROFILE Email: ed@nd.edu
Phone: 574-631-5687
Website: http://www.nd.edu/~ed/
Office: 182A Fitzpatrick Hall

Affiliations

Department of Chemical and Biomolecular Engineering Dorini Family Professor of Energy Studies and Department Chair
College of Engineering Dorini Family Professor of Energy Studies and Chair of the Department of Chemical and Biomolecular Engineering
The research in our group focuses on developing a fundamental understanding of the link between the physical properties of materials and their chemical constitution. Much of our work is devoted to applications related to energy and the environment. The main tool we use is molecular simulation. In ...
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Micro- and nanoscale technologies are increasingly used in multidisciplinary research areas such as tissue engineering and biomedical sciences. These technologies have benefited the fields of experimental biology and medicine immensely through the design of complex biomaterials that can be used for cell-based studies. These biomaterials are required to mimic the physical, biological, and chemical environment of the native tissues. My research has been focused on fabrication, characterization, and application of novel biomaterials in regenerative medicine. In this seminar, I will outline my past and current research as well as my future perspectives on 1) the development of three dimensional advanced biomaterials and cell-laden hydrogels with tunable mechanical, chemical, and biological properties 2) integration of microfabrication techniques with these innovative biomaterials to precisely control cellular microenvironments and create complex functional biomimetic tissue constructs. In particular, I will present my recent findings on the development of a new class of microfabricated elastomeric biomaterials as a novel and promising candidate for cardiovascular tissue engineering. Microengineered platforms presented herein have broad applications in the fields of tissue engineering, drug discovery and pharmaceutical research, and in vitro modeling of human diseases and fundamental biological studies.

Seminar Speaker:

Nasim Annabi

Nasim Annabi

Harvard-MIT Division of Health Sciences and Technology

Nasim Annabi is currently a postdoctoral fellow at Harvard Medical School. Her research involves tissue engineering of cardiac and vascular tissues, focusing on the cell and tissue responses to their microenvironment. She has developed advanced biomaterials with controlled physical and biological properties combined with microscale techniques to control tissue microarchitecture. She has synthesized and characterized various 3D cell-laden hydrogels for different tissue engineering applications. In particular, she has recently developed technologies to engineer novel highly elastic cell-laden hydrogels with excellent properties for cardiovascular tissue engineering. She has published 33 peer-reviewed papers in the tissue engineering field. In addition, she is the author of 5 book chapters and 2 patents. She has also given over 50 seminars at various conferences and academic institutions.

Reilly Lectureship, Lecture 1: Structure, Dynamics and Properties of Block Polymer Dispersions

This presentation will explore two different aspects of block copolymer micelle formation.

Reilly Lectureship, Lecture 1: Structure, Dynamics and Properties of Block Polymer Dispersions

Start:

3/25/2014 at 3:30PM

End:

3/25/2014 at 4:30PM

Location:

Eck Center Auditorium

Host:

College of Engineering close button
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Edward Maginn

Edward Maginn

VIEW FULL PROFILE Email: ed@nd.edu
Phone: 574-631-5687
Website: http://www.nd.edu/~ed/
Office: 182A Fitzpatrick Hall

Affiliations

Department of Chemical and Biomolecular Engineering Dorini Family Professor of Energy Studies and Department Chair
College of Engineering Dorini Family Professor of Energy Studies and Chair of the Department of Chemical and Biomolecular Engineering
The research in our group focuses on developing a fundamental understanding of the link between the physical properties of materials and their chemical constitution. Much of our work is devoted to applications related to energy and the environment. The main tool we use is molecular simulation. In ...
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Block copolymers belong to a broad class of amphiphilic compounds that includes soaps, lipids and nonionic surfactants. These macromolecules assemble into micelles with molecular dimensions on the order of 5 to 50 nm in size when mixed with excess solvent that preferentially solvates one block type. This presentation will explore two different aspects of block copolymer micelle formation. The fundamental thermodynamic and kinetic factors that control micelle shape and dynamics will be discussed based on small-angle x-ray and neutron scattering (SAXS and SANS) experiments and cryogenic transmission and scanning electron microscopy results. Although the structural features displayed by amphiphilic block copolymers resemble those associated with the self-assembly of lipids and simple surfactants (e.g., spherical and cylindrical micelles and vesicles) a macromolecular architecture leads to remarkably different dynamic properties, linked to a vanishingly small critical micelle concentration. As a consequence, molecular exchange is rapidly extinguished with increasing molecular weight resulting in non-ergotic behavior. These concepts have been exploited in developing a recently commercialized technology that provides immense improvements in the fracture toughness of thermosetting epoxy plastics, which also will be described.

Seminar Speaker:

Frank S. Bates

Frank S. Bates

University of Minnesota

Frank S. Bates is a Regents Professor and Head of Chemical Engineering and Materials Science at the University of Minnesota. He received a B.S. in Mathematics from SUNY Albany in 1976, and M.S. and Sc.D. degrees in Chemical Engineering from MIT in 1979 and 1982. Between 1982 and 1989 Bates was a member of the technical staff at AT&T Bell Laboratories then joined the University of Minnesota as an Associate Professor. He was promoted to Professor in 1991, named a Distinguished McKnight University Professor in 1996, appointed Department Head in 1999, and became a Regents Professor in 2007. Professor Bates conducts research on a range of topics related to polymers, with a particular focus on the thermodynamics and dynamics of block polymers and blends. In 1988 Bates was named a Distinguished Member of the Technical Staff at Bell Labs. In 1989 he received the John H. Dillon Medal and in 1997 the Polymer Physics Prize, both from the American Physical Society where he is a Fellow. He received the 2004 David Turnbull Lectureship Award from the Materials Research Society, shared the ACS Cooperative Research Award in 2008, was awarded the 2008 Sustained Research Prize by the Neutron Scattering Society of America and he was the 2012 Institute Lecturer of the American Institute of Chemical Engineers. Bates was elected to the US National Academy of Engineering in 2002. In 2005 he was named a fellow of the American Association for the Advancement of Science and in 2010 was elected to the American Academy of Arts and Science.

Reilly Lectureship, Lecture 2: Order and Disorder in Multiblock Polymers

This lecture will focus on relatively simple molecular designs – linear macromolecules that contain two or three different block types strategically sequenced to create useful multiblock molecular architectures.

Reilly Lectureship, Lecture 2: Order and Disorder in Multiblock Polymers

Start:

3/26/2014 at 1:00PM

End:

3/26/2014 at 2:00PM

Location:

Eck Center Auditorium

Host:

College of Engineering close button
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Edward Maginn

Edward Maginn

VIEW FULL PROFILE Email: ed@nd.edu
Phone: 574-631-5687
Website: http://www.nd.edu/~ed/
Office: 182A Fitzpatrick Hall

Affiliations

Department of Chemical and Biomolecular Engineering Dorini Family Professor of Energy Studies and Department Chair
College of Engineering Dorini Family Professor of Energy Studies and Chair of the Department of Chemical and Biomolecular Engineering
The research in our group focuses on developing a fundamental understanding of the link between the physical properties of materials and their chemical constitution. Much of our work is devoted to applications related to energy and the environment. The main tool we use is molecular simulation. In ...
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Soft materials constitute a familiar class of condensed matter. Representative examples include all types of polymers, colloidal dispersions, foams, and biological tissue such as collagen and spider silk. Block polymers are a form of macromolecules that provide unparalleled material design opportunities through the coupling of distinct polymer blocks that incorporate different physical properties. Modern synthetic chemical methods afford access to an unlimited number of architectural variations that begin with simple diblocks and progress through a dizzying array of graft and branched geometries. This lecture will focus on relatively simple molecular designs – linear macromolecules that contain two or three different block types strategically sequenced to create useful multiblock molecular architectures. A rich array of nanostructured phases resulting in tailored rheological and mechanical properties have been achieved in these materials. Block polymers present unique characterization challenges while offering a plethora of intriguing fundamental scientific issues coupled to exciting technical applications. Examples that illustrate the synergistic use of self-consistent field theory along with transmission electron microscopy, small-angle x-ray and neutron scattering, dynamic mechanical spectroscopy and tensile testing will be discussed in the context of research that has led to interdisciplinary discoveries regarding phase behavior in condensed matter while generating commercial products.

Seminar Speaker:

Frank S. Bates

Frank S. Bates

University of Minnesota

Frank S. Bates is a Regents Professor and Head of Chemical Engineering and Materials Science at the University of Minnesota. He received a B.S. in Mathematics from SUNY Albany in 1976, and M.S. and Sc.D. degrees in Chemical Engineering from MIT in 1979 and 1982. Between 1982 and 1989 Bates was a member of the technical staff at AT&T Bell Laboratories then joined the University of Minnesota as an Associate Professor. He was promoted to Professor in 1991, named a Distinguished McKnight University Professor in 1996, appointed Department Head in 1999, and became a Regents Professor in 2007. Professor Bates conducts research on a range of topics related to polymers, with a particular focus on the thermodynamics and dynamics of block polymers and blends. In 1988 Bates was named a Distinguished Member of the Technical Staff at Bell Labs. In 1989 he received the John H. Dillon Medal and in 1997 the Polymer Physics Prize, both from the American Physical Society where he is a Fellow. He received the 2004 David Turnbull Lectureship Award from the Materials Research Society, shared the ACS Cooperative Research Award in 2008, was awarded the 2008 Sustained Research Prize by the Neutron Scattering Society of America and he was the 2012 Institute Lecturer of the American Institute of Chemical Engineers. Bates was elected to the US National Academy of Engineering in 2002. In 2005 he was named a fellow of the American Association for the Advancement of Science and in 2010 was elected to the American Academy of Arts and Science.

Cooperative assembly with block copolymers for functional nanoporous films

The tethering of chemically dissimilar polymeric segments in block copolymers provides a facile route to periodic nanostructures through self-assembly, but building desired functionality chemically into the block copolymer for specific applications can be tedious.

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Chemical Engineering at U.Chile: Research and Potential Collaborations

This talk will address the research in the Department of Chemical Engineering and Biotechnology (DIQB) at the Universidad de Chile.

Chemical Engineering at U.Chile: Research and Potential Collaborations

Start:

9/9/2014 at 3:30PM

End:

9/9/2014 at 4:30PM

Location:

138 DeBartolo Hall

Host:

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Eduardo Wolf

Eduardo Wolf

VIEW FULL PROFILE Email: ewolf@nd.edu
Phone: 574-631-5897
Office: 305 Cushing Hall

Affiliations

College of Engineering Professor Emeritus
Heterogeneous catalysts are used in 90% of chemical processes in the chemical and petroleum industries as ell as in environmental applications. Research in our group focuses in the rational design of novel catalytic materials and novel catalytic reactors. The research approach combines ...
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This talk will address the research in the Department of Chemical Engineering and Biotechnology (DIQB) at the Universidad de Chile. The main purpose is to describe the diverse areas of investigation carried out by their Faculty, such as Bioengineering, Heterogeneous Catalysis, Polymer Engineering, Development of Novel Polymeric Materials, Process Simulation, Biological Molecular Modeling, and Hydrometallurgy. With this information, the subsequent discussion will seek to identify subjects of mutual interest with the Chemical and Biochemical Engineering Department (CBE) at the University of Notre Dame, so possible collaborations can be anticipated. To complement this search for common areas, several funding alternatives from the Chilean government will be discussed, especially focused in Postdoctoral researchers, looking for the reciprocal benefits of building up such collaborative effort.

Seminar Speaker:

Francisco Gracia

Francisco Gracia

Universidad de Chile

Prof. Gracia is an Associate Professor in the Department of Chemical Engineering and Biotechnology at the University of Chile. He is a Chemical Engineer who graduated from the Universidad de Chile in 1999. After that, he obtained the Ph.D. degree in Chemical Engineering at the University of Notre Dame in 2004.

His areas of interest include Heterogeneous Catalysis, Reaction Engineering, Hydrogen energy and Environmental Applications of Heterogeneous Catalysts. He has participated in almost 30 publications in the area, has directed 2 Ph. D. Thesis, 3 MSc Thesis, and more than 20 Undergraduate Projects.

Between 2012 and 2014, he was Sub-Director of the Department of Chemical Engineering and Biotechnology at the Universidad de Chile, and he has also served for more than three years now as Head of Academics at the same Department.

Interactions of ionic liquids with materials

This presentation will focus on ionic liquids interacting with different kinds of nanoscale objects. Ionic liquids are composed of asymmetric, flexible organic ions, which don’t crystallize easily.

Interactions of ionic liquids with materials

Start:

10/7/2014 at 3:30PM

End:

10/7/2014 at 4:30PM

Location:

138 DeBartolo Hall

Host:

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Edward Maginn

Edward Maginn

VIEW FULL PROFILE Email: ed@nd.edu
Phone: 574-631-5687
Website: http://www.nd.edu/~ed/
Office: 182A Fitzpatrick Hall

Affiliations

Department of Chemical and Biomolecular Engineering Dorini Family Professor of Energy Studies and Department Chair
College of Engineering Dorini Family Professor of Energy Studies and Chair of the Department of Chemical and Biomolecular Engineering
The research in our group focuses on developing a fundamental understanding of the link between the physical properties of materials and their chemical constitution. Much of our work is devoted to applications related to energy and the environment. The main tool we use is molecular simulation. In ...
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Several aspects of nanoscience and nanotechnology involve the use of liquids in contact with nanomaterials, for example as solvents for the dispersion, preparation and chemical modification of nano-objects, as media for transport through nanopores, or as electrolytes in energy-storage devices. If we want to understand and control matter at the nanometer scale then we have to understand the properties of the fluid media, which do not behave as a simple continuum at these scales, and of the interfaces. We must describe in detail the molecular interactions between the fluids and the nanomaterials, and this has been an area where little progress has been made.

This presentation will focus on ionic liquids interacting with different kinds of nanoscale objects. Ionic liquids are composed of asymmetric, flexible organic ions, which don’t crystallize easily. These ions contain charged moieties, side chains, and a variety of chemical functional groups, interacting through electrostatics, dispersion forces and often through hydrogen bonds as well. They form highly organized liquid phases that are heterogeneous at the nanometer scale. Some of the challenges these systems pose are: i) the heterogeneous structure of the ionic media matches the size of the nano-objects leading to possible template effects that are not present in molecular liquids; ii) systems containing metallic nanoparticles, carbon nanotubes or cellulose microfibrils are dominated by different types of interaction, so difficult to model in a unified way. The methods used to study these systems are a combination of theory (quantum chemistry, molecular simulation) and experiment (spectroscopy, thermodynamics).

Seminar Speaker:

Agilio Padua

Agilio Padua

Massachusetts Institute of Technology

apadua@mit.edu

Agilio Padua is a distinguished professor of physical chemistry at Université Blaise Pascal Clermont-Ferrand and a senior member of the Institut Universitaire de France. His primary field of research is molecular thermodynamics: the study of how the structure and the interaction forces between molecules determine the properties of a material. He mainly works with ionic liquids, a new class of remarkable fluids with promising applications, and their interactions with nano-materials. Presently, Professor Padua is a visiting scholar at MIT’s Chemical Engineering department, with Profs. Michael Strano and Daniel Blankschtein.

Seeking the Critical Traits of Epigenetic Modifications for Early-Stage Disease Diagnosis

Seeking the Critical Traits of Epigenetic Modifications for Early-Stage Disease Diagnosis

Start:

10/28/2014 at 3:30PM

End:

10/28/2014 at 4:30PM

Location:

Eck Visitor Center Auditorium

Host:

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Edward Maginn

Edward Maginn

VIEW FULL PROFILE Email: ed@nd.edu
Phone: 574-631-5687
Website: http://www.nd.edu/~ed/
Office: 182A Fitzpatrick Hall

Affiliations

Department of Chemical and Biomolecular Engineering Dorini Family Professor of Energy Studies and Department Chair
College of Engineering Dorini Family Professor of Energy Studies and Chair of the Department of Chemical and Biomolecular Engineering
The research in our group focuses on developing a fundamental understanding of the link between the physical properties of materials and their chemical constitution. Much of our work is devoted to applications related to energy and the environment. The main tool we use is molecular simulation. In ...
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In recent years, it has become increasingly clear that abnormal epigenetic modifications, such as DNA methylation and histone modifications are hallmarks of many types of diseases, such as lung cancers and neurodegenerative diseases. Understanding how different epigenetic patterns regulate gene activity and enabling sensitive detection of epigenetic patterns hold the key to developing the next generation of therapeutic and diagnostic tools of human diseases. By combining state-of-the-art quantitative fluorescence spectroscopy with engineering principles, we have established quantitative correlations among epigenetic content, chromosome structure, and gene activity. Such correlations can be used for screening early-stage disease biomarkers and identifying potential epigenetic modifications as novel drug targets. In addition, we have developed protein probes to identify and recognize disease-related DNA methylation marks. Our detection platform offers a simple and economical DNA methylation detection approach, promising for detecting early stage cancers.

Seminar Speaker:

Dr. Chongli Yuan

Dr. Chongli Yuan

Purdue University

Dr. Yuan got her BS degree in chemical engineering from East China University of Science and Technology in 2002. She worked with Dr. Lynden Archer at Cornell on the DNA mechanics and nanomaterial synthesis for her Ph.D.  After obtaining her degree in 2007, she moved to ETH, Zurich and worked as a postdoctoral researcher at Prof. Tim Richmond’s group in molecular biology and biophysics.  She joined the Chemical Engineering department at Purdue University as an Assistant Professor in 2009. She has been awarded the ACS PRF new investigator award and CDMRP lung cancer concept award. Her current research primarily focuses on elucidating the epigenetic regulation mechanism in human cells and developing novel epigenomic tools to detect and quantify epigenetic modifications related with human diseases.

Multi-functional Catalysts and Reactors for Reduction of NOx from Lean Burn Vehicles

The U.S. faces the difficult dual challenge of reducing the consumption of transportation fuels and improving air quality. Lean burn gasoline, diesel, and natural gas engines are of interest because they are more fuel efficient than conventional stoichiometric gasoline engines; i.e. less fuel burned means less emitted pollutants. Unfortunately, the unconverted oxygen in the exhaust prevents the use of conventional three-way catalytic converter to reduce nitrogen oxides (or “NOx”) to N2.

Multi-functional Catalysts and Reactors for Reduction of NOx from Lean Burn Vehicles

Start:

11/4/2014 at 3:30PM

End:

11/4/2014 at 4:30PM

Location:

Eck Visitor Center Auditorium

Host:

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William Schneider

William Schneider

VIEW FULL PROFILE Email: wschneider@nd.edu
Phone: 574-631-8754
Website: http://www.nd.edu/~wschnei1/
Office: 123B Cushing Hall
The goal of research in the Schneider group is to develop molecular-level understanding, and ultimately to direct molecular-level design, of chemical reactivity at surfaces and interfaces. This heterogeneous chemistry is a key element of virtually every aspect of the energy enterprise, and is ...
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The U.S. faces the difficult dual challenge of reducing the consumption of transportation fuels and improving air quality.  Lean burn gasoline, diesel, and natural gas engines are of interest because they are more fuel efficient than conventional stoichiometric gasoline engines; i.e.  less fuel burned means less emitted pollutants.  Unfortunately, the unconverted oxygen in the exhaust prevents the use of conventional three-way catalytic converter to reduce nitrogen oxides (or “NOx”) to N2.  To take advantage of the increased fuel efficiency of these vehicles while improving urban air quality, significant reductions in the emissions of NOx and particulate soot (in case of diesel) are needed.  NOx storage and reduction (NSR) is a promising catalytic process that involves the sequential periodic reactive trapping of NOx and its rapid reduction on multi-functional catalysts containing precious metal and storage components.  The effectiveness and spatio-temporal features of the so-called “lean NOx trap” will be described based on our combined experimental and modeling studies.  Cyclic operation in a bench-scale reactor reveals complex coupling between the storage, catalytic, and transport processes.  The findings reveal that there are two primary competing routes to the desired N2 product; a direct route from the reduction of stored NOx by H2 or by a sequential route through an NH3 intermediate. Spatially-resolved measurements of the reacting species concentration show how ammonia is generated and consumed during the regeneration.  Systematic variation of the Pt dispersion results in a significant variation in storage and reduction activity as well as the product distribution.  Isotopically-labeled transient reaction experiments reveal that the overall rate of the NOx storage and reduction process may be limited the diffusion of NOx stored in the vicinity of the Pt crystallites.  A developed “crystallite scale” model provides insight into the fundamental workings of the multi-functional catalyst and reactor. Finally, the ammonia-generating capability of the NOx trap may be exploited by coupling it with a NH3-based selective catalytic reduction (SCR) catalyst.  Our recent findings with dual layer NSR/SCR catalysts hold promise for a lower cost and more productive catalytic converter for lean burn vehicles.

Seminar Speaker:

Mike Harold

Mike Harold

University of Houston

mharold@uh.edu

Michael P. Harold received his B.S. in Chemical Engineering from Penn State in 1980 and his PhD in Chemical Engineering from the University of Houston in 1985. Mike joined the faculty of the Chemical Engineering Department at the University of Massachusetts at Amherst, where he became Associate Professor in 1991. In 1991 Mike was a Visiting Research Scholar at the Chemical Technology Department of University of Twente in Enschede, the Netherlands. In 1993 Mike joined DuPont Company where he held several research and supervisory positions. In 1999 Mike was appointed Research Manager of the Chemical Process Fundamentals Group in the Central Research Department of the DuPont Company. While at DuPont Mike was Adjunct Professor at the University of Delaware and was Chair of the Catalysis and Reaction Engineering Division of AIChE. In his R&D supervisory roles at DuPont Mike led programs to develop breakthrough technologies for the manufacture of key industrial polymers and their corresponding chemical intermediates, and synthetic melt-spun fibers. Mike then moved back to academia as chair of the UH Department of Chemical Engineering, which later became the Department of Chemical and Biomolecular Engineering. He served this post until fall 2008.

Mike’s research expertise and interests are in the area of chemical reaction engineering, with specific focus on reaction-separation devices, inorganic membrane synthesis and applications, and catalytic and biocatalytic materials. Mike has 90 refereed publications, over 100 presentations at technical conferences, and over 60 invited seminars and lectures.

Carbon Capture with Metal Organic Frameworks

MOFs afford the design, synthesis, and deployment of adsorbents for the capture of carbon dioxide from power plants. Ostensibly comprised of simple repeating structures, the function of these materials for CO2 capture is surprisingly subtle. Fortunately, modern magnetic resonance methods inform MOF researchers about local bonding configurations, the distribution of bonding environments at the nanoscale, and the dynamics of molecules. I will illustrate these three outcomes of NMR by describing how adsorbates chemically react with functionalized MOFs, how linkers are apportioned within multivariate MOFs, and how the motion of solvent molecules yield pore sizes and transport schemes in a variety of MOFs.

Carbon Capture with Metal Organic Frameworks

Start:

11/11/2014 at 3:30PM

End:

11/11/2014 at 4:30PM

Location:

Eck Visitor Center Auditorium

Host:

College of Engineering close button
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Edward Maginn

Edward Maginn

VIEW FULL PROFILE Email: ed@nd.edu
Phone: 574-631-5687
Website: http://www.nd.edu/~ed/
Office: 182A Fitzpatrick Hall

Affiliations

Department of Chemical and Biomolecular Engineering Dorini Family Professor of Energy Studies and Department Chair
College of Engineering Dorini Family Professor of Energy Studies and Chair of the Department of Chemical and Biomolecular Engineering
The research in our group focuses on developing a fundamental understanding of the link between the physical properties of materials and their chemical constitution. Much of our work is devoted to applications related to energy and the environment. The main tool we use is molecular simulation. In ...
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MOFs afford the design, synthesis, and deployment of adsorbents for the capture of carbon dioxide from power plants. Ostensibly comprised of simple repeating structures, the function of these materials for CO2 capture is surprisingly subtle. Fortunately, modern magnetic resonance methods inform MOF researchers about local bonding configurations, the distribution of bonding environments at the nanoscale, and the dynamics of molecules. I will illustrate these three outcomes of NMR by describing how adsorbates chemically react with functionalized MOFs, how linkers are apportioned within multivariate MOFs, and how the motion of solvent molecules yield pore sizes and transport schemes in a variety of MOFs.

Seminar Speaker:

Jeffrey Reimer

Jeffrey Reimer

University of California Berkeley

reimer@berkeley.edu

Jeffrey A. Reimer received his bachelor’s degree (with honors) from the University of California at Santa Barbara, and his doctorate from the California Institute of Technology in 1980. Prior to his 1982 faculty appointment at Berkeley he was a postdoctoral fellow at IBM Research in Yorktown Heights, New York. After eighteen years rising through the academic titles at Berkeley, Professor Reimer was appointed Associate Dean of the UC Berkeley Graduate Division (2000-2005) where his responsibilities included the assessment of all doctoral programs. He is presently the C. Judson King Endowed Professor and Warren and Katharine Schlinger Distinguished Professor and Chair of the Chemical and Biomolecular Engineering Department.  Professor Reimer serves as a member of the Board of Trustees for Franklin University in Lugano, Switzerland and serves on the Governing Board for the Council for Chemical Research.  

         In the period 1998-2003, Professor Reimer won the Donald Sterling Noyce Prize for Undergraduate Teaching, the AIChE Northern California Section Award for Excellence in Academic Teaching, and the UC Berkeley Distinguished Teaching Award, the highest award bestowed on faculty for their teaching. Professor Reimer’s scholarship is recognized with the Presidential Young Investigator Award, the Camille and Henry Dreyfus Teacher-Scholar Award, and the Eastern Analytical Symposium Award for Outstanding Achievements in Magnetic Resonance. Professor Reimer was elected a Fellow of the American Association for the Advancement of Science, a Fellow of the American Physical Society in the Division of Materials Physics, and a Fellow of the International Society for Magnetic Resonance for his research in materials chemistry, with particular attention to the application of sophisticated NMR spectroscopic and physical measurements. In addition to his ~165 research publications, Professor Reimer is co-author (with T.M. Duncan) of the introductory text Chemical Engineering Design and Analysis (Cambridge University Press, 1998), and the text Carbon Capture and Sequestration (with Berend Smit, Curt Oldenburg, Ian Bourg, World Scientific Press, 2013).

CANCELLED: Ernest W. Thiele Lecture: Epithelial origami: How physical forces fold tissues into organs

This event has been cancelled.

CANCELLED: Ernest W. Thiele Lecture: Epithelial origami: How physical forces fold tissues into organs

Start:

12/2/2014 at 3:30PM

End:

12/2/2014 at 4:30PM

Location:

Eck Visitors Center Auditoriums

Host:

College of Engineering close button
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Edward Maginn

Edward Maginn

VIEW FULL PROFILE Email: ed@nd.edu
Phone: 574-631-5687
Website: http://www.nd.edu/~ed/
Office: 182A Fitzpatrick Hall

Affiliations

Department of Chemical and Biomolecular Engineering Dorini Family Professor of Energy Studies and Department Chair
College of Engineering Dorini Family Professor of Energy Studies and Chair of the Department of Chemical and Biomolecular Engineering
The research in our group focuses on developing a fundamental understanding of the link between the physical properties of materials and their chemical constitution. Much of our work is devoted to applications related to energy and the environment. The main tool we use is molecular simulation. In ...
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The morphogenetic patterning that generates three-dimensional (3D) tissues requires dynamic concerted rearrangements of individual cells with respect to each other. We have developed microfabrication- and lithographic tissue engineering-based approaches to investigate the mechanical forces and downstream signaling responsible for generating the airways of the lung and the milk ducts of the mammary gland. I will discuss how we combine these experimental techniques with computational models to uncover the physical forces that drive development of engineered tissues and tissues in vivo.

Seminar Speaker:

Celeste M. Nelson

Celeste M. Nelson

Princeton University

celesten@princeton.edu

Celeste M. Nelson is an Associate Professor in the Departments of Chemical & Biological Engineering and Molecular Biology at Princeton University. She earned S.B. degrees in Chemical Engineering and Biology at MIT in 1998, a Ph.D. in Biomedical Engineering from the Johns Hopkins University School of Medicine in 2003, followed by postdoctoral training in Life Sciences at Lawrence Berkeley National Laboratory until 2007. Her laboratory specializes in using engineered tissues and computational models to understand how mechanical forces direct developmental patterning events during tissue morphogenesis. She is the co-author of over 80 peer-reviewed publications. Dr. Nelson’s contributions to the fields of tissue mechanics and morphogenesis have been recognized by a number of awards, including a Burroughs Wellcome Fund Career Award at the Scientific Interface (2007), a Packard Fellowship (2008), a Sloan Fellowship (2010), the MIT TR35 (2010), the Allan P. Colburn Award (2011), and a Dreyfus Teacher-Scholar Award (2012).

Seminar Sponsors:

This seminar made possible by the Ernest W. Thiele Lectureship series.

The Thiele Lectureship was established in 1986 to honor Dr. Thiele’s association with the Notre Dame chemical and biomolecular engineering department. The Lectureship is intended to recognize outstanding research contributions by a younger member of the chemical engineering profession.

Dr. Thiele (1895-1993) was one of the pioneers of the chemical engineering profession. After earning his doctoral degree from M.I.T. in 1925, he worked for the next 35 years at Standard Oil Company (Indiana) in almost every aspect of petroleum refining and rose to become the Associate Director of Research. Upon retirement from Standard Oil in 1960, he joined the chemical engineering faculty at Notre Dame and remained on the faculty until 1970, teaching courses primarily in thermodynamics, instrumentation, and control.

Thiele published 20 papers and held some 30 patents. Two of these papers are classics, and his name is thus associated with two major problems in chemical engineering. He conceived the McCabe-Thiele graphical method for fractionating columns [Ind. Eng. Chem., 17, 605 (1925)] while he was a graduate student. The influence of his work on simultaneous diffusion and reaction in catalyst pellets [Ind. Eng. Chem., 31, 916 (1939)] is so large that the relative importance of intrapellet diffusion is now commonly assessed by the magnitude of a parameter called the Thiele modulus.

He received major national awards, including membership in the National Academy of Engineering, and was awarded an honorary doctorate by the University of Notre Dame in 1971 in recognition of his contributions to chemical engineering and the University.

Metabolomics: A Systems-Scale Approach to Cancer and Bioengineering

Metabolomics: A Systems-Scale Approach to Cancer and Bioengineering

Start:

1/20/2015 at 3:30PM

End:

1/20/2015 at 4:30PM

Location:

Eck Visitors Center Auditorium

Host:

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Mark McCready

Mark McCready

VIEW FULL PROFILE Email: mjm@nd.edu
Phone: 574-631-7146
Office: 182 Fitzpatrick Hall

Affiliations

College of Engineering Professor and Senior Associate Dean for Research and Graduate Studies
Multiphase fluid flows in confined geometries CO 2 absorption and reaction in multiphase systems Micro fuel cell technologies Fundamentals of phase change processes
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Understanding and controlling cellular metabolism (the process by which nutrients taken into a cell are turned into energy and the building blocks for more cells) is crucial to numerous applications, from enabling more efficient bioenergy production to unraveling the mechanisms of diseases like cancer. However, true understanding of (and control over) metabolism is hindered by a dearth of information available about the dynamics of metabolism and the molecular mechanisms that regulate those dynamics. A deeper understanding in these areas would enable much more efficient manipulation of existing metabolic networks to circumvent or exploit native metabolic regulation.  In this seminar, we will provide an overview of our group’s work in the field as we try to unravel metabolic dynamics and regulation.  We will focus on our work in cancer metabolomics, where we look to understand the metabolic underpinnings that are increasingly acknowledged as a critical hallmark of cancerous proliferation.  Using mass spectrometry, we have investigated the metabolic dynamics of ovarian cancer cells in response to environmental perturbations that we expect tumors to encounter in vivo so as to better understand their metabolic behavior. We have also identified unique metabolic properties of a subpopulation of cells referred to as cancer-initiating cells, or cancer stem cells; a better metabolic understanding of these cells may ultimately help to guide design of new metabolism-focused therapeutic interventions.  We have also used metabolomics to explore the possibility of using endogenous metabolites as therapeutics, finding unexpected and cancer-specific phenomena as a metabolite induces apoptosis in cancer cells.

Seminar Speaker:

Mark P. Styczynski

Mark P. Styczynski

Georgia Tech

mark.styczynski@chbe.gatech.edu

Prof. Styczynski leads a research group focused on the understanding and manipulation of metabolism, including metabolic dynamics and regulation.  His group uses information-rich analytical chemistry techniques and computational approaches to gain a systems-level understanding of metabolism.  Mark received his B.S. in chemical engineering from the University of Notre Dame in 2002, followed by his Ph.D. in chemical engineering from MIT in 2007 focusing on computational biology problems including pattern discovery and machine learning in biological data.  He then moved to the Broad Institute for postdoctoral research on metabolomics and metabolic evolution of yeast. He started his lab at Georgia Tech in 2009 and has since received the Oak Ridge Associated Universities Junior Faculty Award, the DARPA Young Faculty Award, and the NSF CAREER award, as well as multiple department- and university-level teaching awards.

Soft Matter Manipulated by External Fields: Dynamic Assemblies, Ionic Circuits and Soft Robotics

I will present strategies for electric and magnetic field driven manipulation of novel functional structures from "soft matter" - asymmetric particles or gels in water environment. Their complex structure and dynamics arise as a result of two effects - counterionic mobility and anisotropic polarizability. In the first part of the talk I will discuss how external AC fields can assemble asymmetric particles into programmable and reconfigurable structures. Metallo-dielectric particles, such as Janus/patchy spheres, and selectively coated microcubes, acquire complex polarization pattern in electrical fields, which can lead to programmed multidirectional interactions. In addition, such particles exhibit a variety of AC electrokinetic motility effects. The combination of dielectrophoresis and AC electrokinetics, controlled through the field frequency, strength and direction, opens a rich field of possibilities for engineered assembly and manipulation. Permanent, yet reconfigurable, structures can also be assembled by using magnetic fields and asymmetric particles with residual polarization. I will present a few such dynamic microscale structures with potential applications in emerging fields such as microrobotics. In the second part of the talk I will discuss briefly the complementary case of ionic effects in water-based gels doped with polyelectrolytes. The counterionic mobility around their molecular backbones can be used in a broad range of biomimetic devices. I will demonstrate that ion-doped conductive hydrogels can form the core of novel diodes, memristors and photovoltaic cells. Finally, such hydrogels can be ionically patterned and reconfigured by electrical or chemical means to form new types of actuators and soft robotic components.

Soft Matter Manipulated by External Fields: Dynamic Assemblies, Ionic Circuits and Soft Robotics

Start:

2/24/2015 at 3:30PM

End:

2/24/2015 at 4:30PM

Location:

Eck Visitors Center Auditorium

Host:

College of Engineering close button
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Edward Maginn

Edward Maginn

VIEW FULL PROFILE Email: ed@nd.edu
Phone: 574-631-5687
Website: http://www.nd.edu/~ed/
Office: 182A Fitzpatrick Hall

Affiliations

Department of Chemical and Biomolecular Engineering Dorini Family Professor of Energy Studies and Department Chair
College of Engineering Dorini Family Professor of Energy Studies and Chair of the Department of Chemical and Biomolecular Engineering
The research in our group focuses on developing a fundamental understanding of the link between the physical properties of materials and their chemical constitution. Much of our work is devoted to applications related to energy and the environment. The main tool we use is molecular simulation. In ...
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I will present strategies for electric and magnetic field driven manipulation of novel functional structures from "soft matter" - asymmetric particles or gels in water environment. Their complex structure and dynamics arise as a result of two effects - counterionic mobility and anisotropic polarizability. In the first part of the talk I will discuss how external AC fields can assemble asymmetric particles into programmable and reconfigurable structures. Metallo-dielectric particles, such as Janus/patchy spheres, and selectively coated microcubes, acquire complex polarization pattern in electrical fields, which can lead to programmed multidirectional interactions. In addition, such particles exhibit a variety of AC electrokinetic motility effects. The combination of dielectrophoresis and AC electrokinetics, controlled through the field frequency, strength and direction, opens a rich field of possibilities for engineered assembly and manipulation. Permanent, yet reconfigurable, structures can also be assembled by using magnetic fields and asymmetric particles with residual polarization. I will present a few such dynamic microscale structures with potential applications in emerging fields such as microrobotics. In the second part of the talk I will discuss briefly the complementary case of ionic effects in water-based gels doped with polyelectrolytes. The counterionic mobility around their molecular backbones can be used in a broad range of biomimetic devices. I will demonstrate that ion-doped conductive hydrogels can form the core of novel diodes, memristors and photovoltaic cells. Finally, such hydrogels can be ionically patterned and reconfigured by electrical or chemical means to form new types of actuators and soft robotic components. 

Seminar Speaker:

Orlin D. Velev

Orlin D. Velev

North Carolina State University

Dr. Orlin Velev received M.Sc. and Ph.D. degrees from the University of Sofia, Bulgaria, while also spending one year as a researcher in Nagayama Protein Array Project in Japan. After graduating in 1996, Velev accepted a postdoctoral position with the Department of Chemical Engineering, University of Delaware. He initiated an innovative program in colloidal assembly and nanomaterials and was promoted to research faculty in 1998. In 2001, he formed his new research group in the Department of Chemical and Biomolecular Engineering, North Carolina State University, where he was promoted to an Associate Professor with tenure in 2006, to full professor in 2008 and to INVISTA chaired professor in 2009. He has contributed more than 150 publications, which have been cited more than 10,300 times, and has presented more than 185 invited presentations at major conferences and at universities and companies. Recent awards include NSF Career, Camille Dreyfus Teacher-Scholar, Sigma Xi, NC State Alcoa Distinguished Engineering Research, NC State Innovator of the Year, Springer Colloid and Polymer Science Lecture Award and election to an ACS Fellow. Velev is a member of the Editorial Advisory Boards of Langmuir, Chemistry of Materials, Biomicrofluidics , Particle and Adv. Colloid Interface Sci.

Velev has established a record of innovative research in the area of nanostructures with electrical and photonic functionality, biosensors and microfluidic devices. He has been the first to synthesize "inverse opals", one of the most widely studied types of photonic materials today. He also pioneered principles for microscopic biosensors with direct electrical detection, discovered techniques for electric field assembly of nanoparticle microwires and biosensors and investigated novel types of self-assembling supraparticles, Janus particles, rod-like particles and nanofibers. Recently Velev's group also reported new studies where external fields power self-propelling devices, and a series of novel biomimetic electronic devices operating on ionic conductance. He has been an advocate of incorporating the latest achievements in the areas of nanoscience and nanotechnology in the engineering curriculum.

Reilly Lecture: Advances in siRNA and Protein Delivery Through Smart Polymers

Engineering the molecular design of intelligent biomaterials by controlling structure, recognition and specificity is the first step in coordinating and duplicating complex biological and physiological processes. Recent developments in siRNA and protein delivery have been directed towards the preparation of targeted formulations for protein delivery to specific sites, use of environmentally-responsive polymers to achieve pH- or temperature-triggered delivery, usually in modulated mode, and improvement of the behavior of their mucoadhesive behavior and cell recognition. We address design and synthesis characteristics of novel crosslinked networks capable of protein release as well as artificial molecular structures capable of specific molecular recognition of biological molecules. Molecular imprinting and microimprinting techniques, which create stereo-specific three-dimensional binding cavities based on a biological compound of interest can lead to preparation of biomimetic materials for intelligent drug delivery, drug targeting, and tissue engineering. We have been successful in synthesizing novel glucose- and protein-binding molecules based on non-covalent directed interactions formed via molecular imprinting techniques within aqueous media. We have also developed structurally superior materials to serve as effective carriers for siRNA delivery to combat Crohn's disease and ulcerative colitis.

Reilly Lecture: Advances in siRNA and Protein Delivery Through Smart Polymers

Start:

3/31/2015 at 3:30PM

End:

3/31/2015 at 4:30PM

Location:

Eck Visitors Center Auditorium

Host:

College of Engineering close button
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Edward Maginn

Edward Maginn

VIEW FULL PROFILE Email: ed@nd.edu
Phone: 574-631-5687
Website: http://www.nd.edu/~ed/
Office: 182A Fitzpatrick Hall

Affiliations

Department of Chemical and Biomolecular Engineering Dorini Family Professor of Energy Studies and Department Chair
College of Engineering Dorini Family Professor of Energy Studies and Chair of the Department of Chemical and Biomolecular Engineering
The research in our group focuses on developing a fundamental understanding of the link between the physical properties of materials and their chemical constitution. Much of our work is devoted to applications related to energy and the environment. The main tool we use is molecular simulation. In ...
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Engineering the molecular design of intelligent biomaterials by controlling structure, recognition and specificity is the first step in coordinating and duplicating complex biological and physiological processes.  Recent developments in siRNA and protein delivery have been directed towards the preparation of targeted formulations for protein delivery to specific sites, use of environmentally-responsive polymers to achieve pH- or temperature-triggered delivery, usually in modulated mode, and improvement of the behavior of their mucoadhesive behavior and cell recognition.  We address design and synthesis characteristics of novel crosslinked networks capable of protein release as well as artificial molecular structures capable of specific molecular recognition of biological molecules. Molecular imprinting and microimprinting techniques, which create stereo-specific three-dimensional binding cavities based on a biological compound of interest can lead to preparation of biomimetic materials for intelligent drug delivery, drug targeting, and tissue engineering. We have been successful in synthesizing novel glucose- and protein-binding molecules based on non-covalent directed interactions formed via molecular imprinting techniques within aqueous media. We have also developed structurally superior materials to serve as effective carriers for siRNA delivery to combat Crohn's disease and ulcerative colitis.

Seminar Speaker:

Nicholas A. Peppas

Nicholas A. Peppas

University of Texas at Austin

Nicholas A. Peppas is the Cockrell Family Regents Chaired Professor in the Departments of Chemical, Biomedical Engineering and Pharmacy, Chairman of the Department of Biomedical Engineering and Director of the Institute of Biomaterials, Drug Delivery and Regenerative Medicine of the University of Texas at Austin.  His work in biomaterials, polymer physics, drug delivery and bionanotechnology follows a multidisciplinary approach by blending modern molecular and cellular biology with engineering principles to design the next-generation of medical systems and devices for patient treatment. Over the past 40 years he has set the fundamentals and rational design of drug delivery systems  and developed models of drug and protein diffusion in controlled release devices and biological tissues. In 2012 he received the Founders Award of the National Academy of Engineering (NAE), the highest recognition of the Academy, for these contributions to the field. Peppas is a member of the NAE, Institute of Medicine of the National Academies, National Academy of Inventors, the National Academy of France, the Royal Academy of Spain, the Academy of Athens and the Academy of Texas.  He has been recognized with awards from AIChE (Founders Award, William Walker Award, Institute Lecture, Jay Bailey Award, Bioengineering Award, Materials Award), the Biomedical Engineering Society (Distinguished Scientist Award), the American Institute of Medical and Biological Engineering (Galletti Award), the Society for Biomaterials (Founders, Clemson and Hall Awards), the Controlled Release Society (Founders, Heller and Eurand Awards) and other societies. In 2008, AIChE named him one of the One Hundred Chemical Engineers of the Modern Era. He is President of the International Union of Societies of Biomaterials Science and Engineering, Chair of the Engineering Section of the American Association for the Advancement of Science, and Past-Chair of the Council of BME Chairs. Previously, he served as President of SFB and the Controlled Release Society.  He is a fellow of AAAS, AIChE, APS, ACS, MRS, SFB, BMES, AIMBE, CRS, AAPS, and ASEE. He  has supervised the research of 100 PhDs and about 180 postdocs and graduate students. Peppas holds a Dipl. Eng. from the NTU of  Athens (1971), a Sc.D. from MIT (1973), and honorary doctorates from the Universities of Ghent, Parma, Athens, Ljubljana and Sichuan.

Seminar Sponsors:

Reilly Lectureship

Initiated in 1958, the distinguished Reilly Lectureship is the oldest continuing endowed lectureship in chemical and biomolecular engineering in the United States. The lecture series is supported by the Peter C. Reilly Fund, which was established in 1945 in honor of the late Peter C. Reilly, a former University Trustee and recipient of an honorary LLD degree. Peter Reilly started the chemical company in Indianapolis that came to be called Reilly Industries and was a big supporter of Notre Dame.

Reilly Lecture: Nanotechnology and Bioengineering in an Evolving Chemical Engineering World

Nanotechnology and Bioengineering, have evolved out of chemical engineering because of the need to address important societal problems. Emphasis in such areas has led to the solution of complex chemical engineering problems that required non-newtonian flows, non-ideal thermodynamics, multicomponent systems, macromolecular analysis and diagnostic/intelligent responsive systems. The introduction of these fields brought up also an emphasis on translational research, product engineering, development of devices/systems and processes and an associated emphasis on applications and commercialization. An unfortunate result of these changes was a shift of Chemical Engineering from fundamentals to applied sciences. I examine the underlying reasons for this shift, with emphasis on changes in societal needs in the 1970s to translational research that started in the late 1980s. I examine the impact of these changes on ChE education, including the academic shift towards applied sciences and the de-emphasis of fundamentals. We address new educational and research directions that will provide a corrective path towards convergence in Chemical Engineering.

Reilly Lecture: Nanotechnology and Bioengineering in an Evolving Chemical Engineering World

Start:

4/1/2015 at 1:00PM

End:

4/1/2015 at 2:00PM

Location:

Eck Visitors Center Auditorium

Host:

College of Engineering close button
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Edward Maginn

Edward Maginn

VIEW FULL PROFILE Email: ed@nd.edu
Phone: 574-631-5687
Website: http://www.nd.edu/~ed/
Office: 182A Fitzpatrick Hall

Affiliations

Department of Chemical and Biomolecular Engineering Dorini Family Professor of Energy Studies and Department Chair
College of Engineering Dorini Family Professor of Energy Studies and Chair of the Department of Chemical and Biomolecular Engineering
The research in our group focuses on developing a fundamental understanding of the link between the physical properties of materials and their chemical constitution. Much of our work is devoted to applications related to energy and the environment. The main tool we use is molecular simulation. In ...
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Nanotechnology and Bioengineering, have evolved out of chemical engineering  because of the need to address important societal problems. Emphasis in such areas has led to the solution of complex chemical engineering problems that required non-newtonian flows, non-ideal thermodynamics, multicomponent systems, macromolecular analysis and diagnostic/intelligent responsive systems. The introduction of these fields brought up also an emphasis on translational research, product engineering, development of devices/systems and processes and an associated emphasis on applications and commercialization. An unfortunate result of these changes was a shift of Chemical Engineering from fundamentals to applied sciences. I examine the underlying reasons for this shift, with emphasis on changes in societal needs in the 1970s to translational research that started in the late 1980s. I examine the impact of these changes on ChE education, including the academic shift towards applied sciences and the de-emphasis of fundamentals. We address  new  educational and research directions that will provide a corrective path towards convergence in Chemical Engineering.

Seminar Speaker:

Nicholas A. Peppas

Nicholas A. Peppas

University of Texas at Austin

Nicholas A. Peppas is the Cockrell Family Regents Chaired Professor in the Departments of Chemical, Biomedical Engineering and Pharmacy, Chairman of the Department of Biomedical Engineering and Director of the Institute of Biomaterials, Drug Delivery and Regenerative Medicine of the University of Texas at Austin.  His work in biomaterials, polymer physics, drug delivery and bionanotechnology follows a multidisciplinary approach by blending modern molecular and cellular biology with engineering principles to design the next-generation of medical systems and devices for patient treatment. Over the past 40 years he has set the fundamentals and rational design of drug delivery systems  and developed models of drug and protein diffusion in controlled release devices and biological tissues. In 2012 he received the Founders Award of the National Academy of Engineering (NAE), the highest recognition of the Academy, for these contributions to the field. Peppas is a member of the NAE, Institute of Medicine of the National Academies, National Academy of Inventors, the National Academy of France, the Royal Academy of Spain, the Academy of Athens and the Academy of Texas.  He has been recognized with awards from AIChE (Founders Award, William Walker Award, Institute Lecture, Jay Bailey Award, Bioengineering Award, Materials Award), the Biomedical Engineering Society (Distinguished Scientist Award), the American Institute of Medical and Biological Engineering (Galletti Award), the Society for Biomaterials (Founders, Clemson and Hall Awards), the Controlled Release Society (Founders, Heller and Eurand Awards) and other societies. In 2008, AIChE named him one of the One Hundred Chemical Engineers of the Modern Era. He is President of the International Union of Societies of Biomaterials Science and Engineering, Chair of the Engineering Section of the American Association for the Advancement of Science, and Past-Chair of the Council of BME Chairs. Previously, he served as President of SFB and the Controlled Release Society.  He is a fellow of AAAS, AIChE, APS, ACS, MRS, SFB, BMES, AIMBE, CRS, AAPS, and ASEE. He  has supervised the research of 100 PhDs and about 180 postdocs and graduate students. Peppas holds a Dipl. Eng. from the NTU of  Athens (1971), a Sc.D. from MIT (1973), and honorary doctorates from the Universities of Ghent, Parma, Athens, Ljubljana and Sichuan. 

Seminar Sponsors:

Reilly Lectureship

Initiated in 1958, the distinguished Reilly Lectureship is the oldest continuing endowed lectureship in chemical and biomolecular engineering in the United States. The lecture series is supported by the Peter C. Reilly Fund, which was established in 1945 in honor of the late Peter C. Reilly, a former University Trustee and recipient of an honorary LLD degree. Peter Reilly started the chemical company in Indianapolis that came to be called Reilly Industries and was a big supporter of Notre Dame.

Break it Down: Discovering the Secrets of Cellulosic Decomposition Reactions for Renewable Chemicals and Fuels

Determining how to efficiently convert cellulose into smaller molecules is vital for harnessing this abundant biopolymer as a renewable source of chemicals and fuels. Understanding the molecular-level chemistry can aid the rational design of improved processes. This knowledge had remained elusive, despite decades of research into the chemical mechanisms governing its conversion. To solve these mysteries, we have created multiscale models of thermochemical and enzymatic conversions of cellulose that allow us to investigate complex reaction networks, determine elementary steps, calculate kinetic parameters, and compare model results with experimental data. Our thermochemical investigations focused on revealing key mechanisms in the cellulose pyrolysis reaction network. The results of these studies have been used in the first mechanistic model of cellulose pyrolysis, providing a valuable tool for process design and optimization. The enzymatic investigation revealed the previously elusive detailed mechanism of an industrially important cellulase, revealing targets for protein engineering. Together, this work highlights how advanced computational tools can uncover notoriously complex carbohydrate chemistry that we can use to advance renewable chemicals and fuels.

Break it Down: Discovering the Secrets of Cellulosic Decomposition Reactions for Renewable Chemicals and Fuels

Start:

3/16/2015 at 3:30PM

End:

3/16/2015 at 3:30PM

Location:

Eck Visitors Center Auditorium

Host:

College of Engineering close button
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Edward Maginn

Edward Maginn

VIEW FULL PROFILE Email: ed@nd.edu
Phone: 574-631-5687
Website: http://www.nd.edu/~ed/
Office: 182A Fitzpatrick Hall

Affiliations

Department of Chemical and Biomolecular Engineering Dorini Family Professor of Energy Studies and Department Chair
College of Engineering Dorini Family Professor of Energy Studies and Chair of the Department of Chemical and Biomolecular Engineering
The research in our group focuses on developing a fundamental understanding of the link between the physical properties of materials and their chemical constitution. Much of our work is devoted to applications related to energy and the environment. The main tool we use is molecular simulation. In ...
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Determining how to efficiently convert cellulose into smaller molecules is vital for harnessing this abundant biopolymer as a renewable source of chemicals and fuels. Understanding the molecular-level chemistry can aid the rational design of improved processes.  This knowledge had remained elusive, despite decades of research into the chemical mechanisms governing its conversion. To solve these mysteries, we have created multiscale models of thermochemical and enzymatic conversions of cellulose that allow us to investigate complex reaction networks, determine elementary steps, calculate kinetic parameters, and compare model results with experimental data. Our thermochemical investigations focused on revealing key mechanisms in the cellulose pyrolysis reaction network. The results of these studies have been used in the first mechanistic model of cellulose pyrolysis, providing a valuable tool for process design and optimization. The enzymatic investigation revealed the previously elusive detailed mechanism of an industrially important cellulase, revealing targets for protein engineering. Together, this work highlights how advanced computational tools can uncover notoriously complex carbohydrate chemistry that we can use to advance renewable chemicals and fuels.

Seminar Speaker:

Heather B. Mayes

Heather B. Mayes

Northwestern University

Heather Mayes is a PhD Candidate in the Department of Chemical and Biological Engineering at Northwestern University. She received her B.S. in Chemical Engineering from the University of Illinois at Chicago (magna cum laude). Her research employs computational chemical engineering to uncover the molecular mechanisms that underlie thermal and enzymatic cellulose decomposition toward advancing technologies that will produce sustainable chemical and fuels. She is particularly interested in elucidating protein-sugar interactions for applications in renewable energy and glycobiology. Heather is a Department of Energy Computational Science Graduate Fellow and has recently earned the AIChE Computational Molecular Science and Engineering Forum Graduate Student Award and ACS Chemical Computing Group Research Excellence Award.

Developing Descriptors to Understand and Predict Catalytic Performance

The development of descriptors that relate the physico-chemical properties of catalytically active materials to their activity, selectivity, or stability is a primary objective of catalysis research. Good descriptors should provide fundamental insight into catalytic performance, be simple to measure or calculate, be amenable to systematic variation or tuning, and provide guidance to the rational design of new materials with superior catalytic properties. In this talk, I will discuss the development and application of such descriptors to the design of catalysts for two classes of industrially important reactions: the selective oxidation of propylene to acrolein, and the dehydrogenation of propane to propylene. In the first system, the band gap of a mixed metal oxide catalyst is identified as an insightful descriptor its catalytic activity for propylene oxidation. Through theoretical and experimental investigation, the basis for band gap as a descriptor for activity is identified, and the power of this descriptor to guide formulation of more active catalysts is examined. In the second system, it is discovered that multiple descriptors are required to account for the catalytic performance of a series of supported single site catalysts toward propane dehydrogenation. By identifying and applying these descriptors to catalytic design, it becomes possible to rationally control not only the activity of a catalyst, but also the mechanism by which it operates. These examples demonstrate the power of a descriptor-based approach to catalysis research to provide both deeper fundamental understanding and practical guidance for the design of novel catalytic materials with improved performance.

Developing Descriptors to Understand and Predict Catalytic Performance

Start:

3/3/2015 at 3:30PM

End:

3/3/2015 at 4:30PM

Location:

136 DeBartolo Hall

Host:

College of Engineering close button
headerbottom

Edward Maginn

Edward Maginn

VIEW FULL PROFILE Email: ed@nd.edu
Phone: 574-631-5687
Website: http://www.nd.edu/~ed/
Office: 182A Fitzpatrick Hall

Affiliations

Department of Chemical and Biomolecular Engineering Dorini Family Professor of Energy Studies and Department Chair
College of Engineering Dorini Family Professor of Energy Studies and Chair of the Department of Chemical and Biomolecular Engineering
The research in our group focuses on developing a fundamental understanding of the link between the physical properties of materials and their chemical constitution. Much of our work is devoted to applications related to energy and the environment. The main tool we use is molecular simulation. In ...
Click for more information about Edward
574-631-5687
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The development of descriptors that relate the physico-chemical properties of catalytically active materials to their activity, selectivity, or stability is a primary objective of catalysis research. Good descriptors should provide fundamental insight into catalytic performance, be simple to measure or calculate, be amenable to systematic variation or tuning, and provide guidance to the rational design of new materials with superior catalytic properties. In this talk, I will discuss the development and application of such descriptors to the design of catalysts for two classes of industrially important reactions: the selective oxidation of propylene to acrolein, and the dehydrogenation of propane to propylene. In the first system, the band gap of a mixed metal oxide catalyst is identified as an insightful descriptor its catalytic activity for propylene oxidation. Through theoretical and experimental investigation, the basis for band gap as a descriptor for activity is identified, and the power of this descriptor to guide formulation of more active catalysts is examined. In the second system, it is discovered that multiple descriptors are required to account for the catalytic performance of a series of supported single site catalysts toward propane dehydrogenation.  By identifying and applying these descriptors to catalytic design, it becomes possible to rationally control not only the activity of a catalyst, but also the mechanism by which it operates. These examples demonstrate the power of a descriptor-based approach to catalysis research to provide both deeper fundamental understanding and practical guidance for the design of novel catalytic materials with improved performance.

Seminar Speaker:

Dr. Andrew Getsoian

Dr. Andrew Getsoian

Argonne National Laboratory

Dr. Andrew (Bean) Getsoian is a member of the Heterogeneous Catalysis Group at Argonne National Laboratory, where he has worked since 2013. His research interests include single site catalysts, mechanistic investigation, surface organometallic chemistry, and the application of operando X-ray absorption spectroscopy to catalytic systems. Prior to his appointment at Argonne, he was a graduate student in the research group of Prof. Alexis T. Bell at the University of California Berkeley, where he applied both theoretical and experimental approaches to the investigation of complex mixed metal oxide oxidation catalysts.

Elucidating catalytic chemistry: From molecules to complex reaction networks

Heterogeneous catalysis is a prominent means to upgrade carbon sources to chemicals and energy carriers. Designing an “optimal” catalytic system is an open multi-faceted problem requiring analysis and decision making at many levels – from understanding molecular events to elucidating complex reaction networks, identifying suitable catalysts, and optimizing reactor performance. My research, to this end, brings disparate yet complementary tools from systems engineering, informatics, and computer science for detailed modeling and design of heterogeneous catalytic processes.

Elucidating catalytic chemistry: From molecules to complex reaction networks

Start:

3/18/2015 at 3:30PM

End:

3/18/2015 at 4:30PM

Location:

Eck Visitors Center Auditorium

Host:

College of Engineering close button
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Edward Maginn

Edward Maginn

VIEW FULL PROFILE Email: ed@nd.edu
Phone: 574-631-5687
Website: http://www.nd.edu/~ed/
Office: 182A Fitzpatrick Hall

Affiliations

Department of Chemical and Biomolecular Engineering Dorini Family Professor of Energy Studies and Department Chair
College of Engineering Dorini Family Professor of Energy Studies and Chair of the Department of Chemical and Biomolecular Engineering
The research in our group focuses on developing a fundamental understanding of the link between the physical properties of materials and their chemical constitution. Much of our work is devoted to applications related to energy and the environment. The main tool we use is molecular simulation. In ...
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574-631-5687
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Heterogeneous catalysis is a prominent means to upgrade carbon sources to chemicals and energy carriers. Designing an “optimal” catalytic system is an open multi-faceted problem requiring analysis and decision making at many levels – from understanding molecular events to elucidating complex reaction networks, identifying suitable catalysts, and optimizing reactor performance. My research, to this end, brings disparate yet complementary tools from systems engineering, informatics, and computer science for detailed modeling and design of heterogeneous catalytic processes.

 In this talk, I will focus on these multiple facets. First, several catalytic processes tend to be complex in that the underlying reaction system comprises of several hundreds to thousands of species and reactions, thereby precluding any form of comprehensive manual analysis. I will present a new rule-based computational tool, Rule Input Network Generator (RING), to construct and analyze the mechanisms of such complex networks. RING can construct an exhaustive network of all plausible reactions and species of a system and identify reaction pathways forming a specific product through rule-based queries and “prune” out energetically infeasible pathways. I will demonstrate the utility of this tool through examples involving mechanism identification in polyol conversion over transition metals. Second, I will show, using density functional theory, how studying molecular events such as adsorption can be used to derive structure-property relationships that elicit details of catalytic reactivity and selectivity. Specifically, I will discuss how electronic structure calculations of adsorption of organonitrogen compounds present in vacuum gasoil on the active sites of industrial hydrotreating catalysts gives insights into the inhibition of hydrodesulfurization chemistry.  Third, designing optimal catalysts require mathematical tools to identify catalytic parameters in conjunction with inputs from (and feedback to) experiments and computational chemistry. I will present new methods that leverage nonlinear optimization approaches to (i) rigorously identify active sites and surface environment of catalysts, and (ii) identify “optimal” energetic parameters that maximize observable catalytic properties such as rate, selectivity, etc.

Seminar Speaker:

Srinivas Rangarajan

Srinivas Rangarajan

University of Wisconsin-Madison

Srinivas is a postdoctoral researcher working with Profs. Manos Mavrikakis and Christos Maravelias at University of Wisconsin-Madison. He obtained his PhD in Chemical Engineering at University of Minnesota in 2013 under the advisorship of Profs. Prodromos Daoutidis and Aditya Bhan. Srinivas is originally from India and did his undergraduate studies at Indian Institute of Technology Madras.

From Yeast to Man: Systems Analyses Advance Therapeutic Development & Drug Discovery in Complex Diseases

Current challenges in therapeutic development, biopharmaceutical production, and limitations of human disease models motivate our pursuit to understand how cellular processes and molecular interactions perform under systemic perturbations. Systems biology approaches — with their integration of computational, experimental, and observational inquiries — guide the rigorous assessment of regulation at multiple scales. We employ a systems-level understanding to characterize biological networks underlying complex cell behavior including (i) cell stress response pathways of a single-cell organism such as yeast, and (ii) communication networks within 3-D tissues that recapitulate human physiology and disease progression.

From Yeast to Man: Systems Analyses Advance Therapeutic Development & Drug Discovery in Complex Diseases

Start:

4/7/2015 at 3:30PM

End:

4/7/2015 at 4:30PM

Location:

Eck Visitors Center Auditorium

Host:

College of Engineering close button
headerbottom

Edward Maginn

Edward Maginn

VIEW FULL PROFILE Email: ed@nd.edu
Phone: 574-631-5687
Website: http://www.nd.edu/~ed/
Office: 182A Fitzpatrick Hall

Affiliations

Department of Chemical and Biomolecular Engineering Dorini Family Professor of Energy Studies and Department Chair
College of Engineering Dorini Family Professor of Energy Studies and Chair of the Department of Chemical and Biomolecular Engineering
The research in our group focuses on developing a fundamental understanding of the link between the physical properties of materials and their chemical constitution. Much of our work is devoted to applications related to energy and the environment. The main tool we use is molecular simulation. In ...
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574-631-5687
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Current challenges in therapeutic development, biopharmaceutical production, and limitations of human disease models motivate our pursuit to understand how cellular processes and molecular interactions perform under systemic perturbations. Systems biology approaches — with their integration of computational, experimental, and observational inquiries — guide the rigorous assessment of regulation at multiple scales. We employ a systems-level understanding to characterize biological networks underlying complex cell behavior including (i) cell stress response pathways of a single-cell organism such as yeast, and (ii) communication networks within 3-D tissues that recapitulate human physiology and disease progression.

As arguably the most well-characterized cellular response promoting homeostasis, the Unfolded Protein Response (UPR) is defined by a coordinated program of transcription that up-regulates genes within the early secretory pathway. In contrast to this classical description, our investigations in S. cerevisiae further indicate that an extensive program of global repression exists, highly enriched in protein synthesis and metabolic functions. DNA recombination strategies combined with high-resolution imaging techniques determined that protein redistribution, resultant spatial effects, and organelle modifications are diverse consequences of UPR activation. The elucidation of these pathways has become of growing importance in therapeutic development, as the UPR has been intimately linked to Alzheimer’s disease, Parkinson’s disease, diabetes, cancer, and inflammation.

Clearly, the complexity of human physiology must be assessed in a more complex environment that accounts for interacting cell types coexisting in a hierarchical 3-D structure. The emergence of organ-on-a-chip microfabricated devices facilitates the study of human physiology in vitro, enabling the development and validation of predictive models in drug discovery. The integration of tissue engineering, primary cell sources, emerging biomaterial strategies, and computational models promoted novel experiments to investigate breast cancer metastasis. As a result, we have identified plausible signatures of human-specific cross-talk between the tumor and hepatic tissues. Ultimately, these results will directly impact clinical prognosis of early metastatic disease while improving drug efficacy and toxicity models of chemotherapies. 

Seminar Speaker:

Carissa L. Young

Carissa L. Young

Department of Biological Engineering, Massachusetts Institute of Technology, Cambridge, MA

Carissa Young is a postdoctoral associate at MIT in the Department of Biological Engineering leading integrated systems approaches in biomarker discovery of breast cancer metastasis, liver and lung inflammation. She earned her Ph.D. in Chemical and Biomolecular Engineering at the University of Delaware in 2012 with an emphasis in cellular and protein engineering, and a B.S. in Chemical Engineering from Georgia Tech in 2002. Carissa has 19 publications in the field of biotechnology and is the recipient of a NIH Development award, NSF ADVANCE award, Recombinant DNA Technology award, and Academic and Civic Excellence award. Notably, Carissa has held six teaching appointments in academia and worked within the pharmaceutical industry.

Computational Design and Development of Metal-Organic Frameworks (MOFs) for Energy and Environmental Applications

The discovery of advanced materials is essential to the development of novel technologies to address challenges related to the production, storage and efficient use of energy, as well as environmental applications. However, the design, development and commercialization of a new material can take several decades. On these grounds, in 2011, the White House launched a multimillion dollar program, the Materials Genome Initiative (MGI), aiming to accelerate material discovery. In this context, molecular simulation is a powerful tool that can help explore the material space at a significantly faster rate and lower cost than it can typically be done experimentally. This helps focus experimental efforts only on the most promising systems. Here, I illustrate the application of molecular simulations, automated construction algorithms of material molecular models, and computational screening strategies to the design of cutting-edge crystalline materials such as metal-organic frameworks (MOFs).

Computational Design and Development of Metal-Organic Frameworks (MOFs) for Energy and Environmental Applications

Start:

4/21/2015 at 3:30PM

End:

4/21/2015 at 4:30PM

Location:

Eck Visitors Center

Host:

College of Engineering close button
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Edward Maginn

Edward Maginn

VIEW FULL PROFILE Email: ed@nd.edu
Phone: 574-631-5687
Website: http://www.nd.edu/~ed/
Office: 182A Fitzpatrick Hall

Affiliations

Department of Chemical and Biomolecular Engineering Dorini Family Professor of Energy Studies and Department Chair
College of Engineering Dorini Family Professor of Energy Studies and Chair of the Department of Chemical and Biomolecular Engineering
The research in our group focuses on developing a fundamental understanding of the link between the physical properties of materials and their chemical constitution. Much of our work is devoted to applications related to energy and the environment. The main tool we use is molecular simulation. In ...
Click for more information about Edward
574-631-5687
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The discovery of advanced materials is essential to the development of novel technologies to address challenges related to the production, storage and efficient use of energy, as well as environmental applications.  However, the design, development and commercialization of a new material can take several decades.  On these grounds, in 2011, the White House launched a multimillion dollar program, the Materials Genome Initiative (MGI), aiming to accelerate material discovery.  In this context, molecular simulation is a powerful tool that can help explore the material space at a significantly faster rate and lower cost than it can typically be done experimentally.  This helps focus experimental efforts only on the most promising systems.  Here, I illustrate the application of molecular simulations, automated construction algorithms of material molecular models, and computational screening strategies to the design of cutting-edge crystalline materials such as metal-organic frameworks (MOFs).

Metal-organic frameworks are porous materials composed of inorganic nodes and organic linkers assembled into crystalline networks of diverse topologies.  MOFs are promising materials for applications such as gas storage, separation and catalysis, because the possibility to vary the combination of building units engenders remarkable tunability of MOF textural and chemical properties.  This, however, also means that there are millions of potential MOF structures that could be synthesized, and thus one of the major challenges is to quickly identify the structures that are optimal for a given application.  Here. I discuss the use of grand canonical Monte Carlo (GCMC) simulations and other computational methods to evaluate the performance of thousands of hypothetical MOFs generated by different automated construction strategies.  The performance assessment centers on energy applications such as methane and hydrogen storage for alternative fuel vehicles, and environmental applications such as pre-combustion carbon dioxide capture.  Through computational screening, promising structures were identified which were then synthesized and tested by experimental collaborators.  Additionally, structure-property relationships were generated with the goal of providing guidelines for the synthesis of optimal materials and helping to discern material performance limits.

Seminar Speaker:

Dr. Diego Gomez Gualdron

Northwestern University

Dr. Diego Gomez-Gualdron holds a bachelor’s degree in Chemical Engineering from Universidad Industrial de Santander in Colombia, and a doctoral degree in Materials Science and Engineering from Texas A&M University. Dr. Gomez-Gualdron is a Postdoctoral Fellow in the Department of Chemical and Biological Engineering at Northwestern University.  Dr. Gomez-Gualdron’s research interests focus on the use of molecular simulation and computational methods to (help) design and develop advanced crystalline materials.  He is the coauthor of 17 peer-reviewed publications, including twelve as a first author, and he is the recipient of a Silver Graduate Student Award from the Materials Research Society (2012), and an Outstanding Researcher Award from the International Institute of Nanotechnology at Northwestern University (2014).

Seminar Sponsors:

Reilly Lecture Series

Protic ionic liquids: effect of environment on the extent of proton transfer and CO2 capture.

Protic ionic liquids: effect of environment on the extent of proton transfer and CO2 capture.

Start:

8/25/2015 at 3:30PM

End:

8/25/2015 at 4:30PM

Location:

141 DeBartolo Hall

Host:

College of Engineering close button
headerbottom

Edward Maginn

Edward Maginn

VIEW FULL PROFILE Email: ed@nd.edu
Phone: 574-631-5687
Website: http://www.nd.edu/~ed/
Office: 182A Fitzpatrick Hall

Affiliations

Department of Chemical and Biomolecular Engineering Dorini Family Professor of Energy Studies and Department Chair
College of Engineering Dorini Family Professor of Energy Studies and Chair of the Department of Chemical and Biomolecular Engineering
The research in our group focuses on developing a fundamental understanding of the link between the physical properties of materials and their chemical constitution. Much of our work is devoted to applications related to energy and the environment. The main tool we use is molecular simulation. In ...
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Protic ionic liquids (PILs) belong to a special class of ionic liquids obtained by proton transfer from a Brønsted acid to a Brønsted base.1 The thermodynamic criterion for the prediction of the extent of proton transfer (PT) is linked to the difference in aqueous pKa values of the base (B) and the acid (AH):

 ∆G ≈ -∆pKa(aq) = -[pKa(aq)(B) - pKa(aq)(AH)]

 In the pharmaceutical world it was shown that in crystalline salts ∆pKa of > 3 is sufficient to ensure the proton transfer.2 On the other hand, Yoshizawa and Angell reported that the ∆pKa should be at least 10 to ensure the completeness of the proton transfer process in PILs.3 Recently we have shown that for PILs the use of aqueous pKa values is not a reliable criterion to judge the extent of PT.4 In addition, the ability of ionic liquid ions to form extended hydrogen bonding has been proven to play a vital role in driving the proton transfer. In this talk I will show how the extent of proton transfer changes depending on the hydrogen bonding ability of amines when combined with weak and strong acids to form PILs.5 I will discuss computational strategies for the prediction of the extent of PT in the mixtures of primary, secondary and tertiary amines with acetic, difluoroacetic and trifluoroacetic acids. In order to confirm the established strategy, the extent of proton transfer was probed through a series of experimental results including a Walden plot and temperature-dependent FT-IR spectroscopy. In this talk I will also show how the dynamic equilibrium between neutral and ionic species in PILs can help improve the CO2 capture in amine-functionalised ionic liquids. 

Seminar Speaker:

Ekaterina (Katya) Pas

Ekaterina (Katya) Pas

Monash University

Dr. Ekaterina (Katya) Pas graduated from The Higher Chemistry College (affiliated to the Russian Academy of Science) in 2000 with a Bachelors and Masters degree in chemistry, both with honours. In 2004 Dr. Pas obtained her Ph.D. under supervision of Prof. S. Grimme from the University of Muenster, in the field of Theoretical Chemistry. Her group specialises in the development and applications of computational chemistry methods for the prediction of chemical and physical properties of ionic materials and their mixtures with molecular solvents such as water and acetonitrile, molecular gasses such as CO2 and SO2, redox couples for fuel and solar cells and metal ions used in metal-ion batteries. Her recent development of the modified MP2 method in combination with the Fragment Molecular Orbital (FMO) approach opens up a great opportunity to accurately predict energetics of large-scale clusters of ionic materials. In the School of Chemistry, Katya also contributes to the teaching program through a core unit on Advanced Physical Chemistry (with the Computational Chemistry component) and an Honours module on Computational Chemistry.

Computational Design of Highly Selective Transition Metal Catalysts Encapsulated by Metal-Organic Frameworks for Butane Oxidation to 1-Butanol

Catalysts are one of the most important technologies in society today, with catalytic processes accounting for nearly 20% of the US GDP. A key focus of catalysis research is designing catalysts that convert feedstocks into higher value products. One of the greatest challenges is selectivity, i.e., production of a desired product over an undesired one, and this is particularly challenging when the desired product is less thermodynamically stable.

Computational Design of Highly Selective Transition Metal Catalysts Encapsulated by Metal-Organic Frameworks for Butane Oxidation to 1-Butanol

Start:

9/22/2015 at 3:30PM

End:

9/22/2015 at 4:30PM

Location:

Eck Visitors Center Auditorium

Host:

College of Engineering close button
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William Schneider

William Schneider

VIEW FULL PROFILE Email: wschneider@nd.edu
Phone: 574-631-8754
Website: http://www.nd.edu/~wschnei1/
Office: 123B Cushing Hall
The goal of research in the Schneider group is to develop molecular-level understanding, and ultimately to direct molecular-level design, of chemical reactivity at surfaces and interfaces. This heterogeneous chemistry is a key element of virtually every aspect of the energy enterprise, and is ...
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Catalysts are one of the most important technologies in society today, with catalytic processes accounting for nearly 20% of the US GDP. A key focus of catalysis research is designing catalysts that convert feedstocks into higher value products. One of the greatest challenges is selectivity, i.e., production of a desired product over an undesired one, and this is particularly challenging when the desired product is less thermodynamically stable. For example, the oxidation of butane to 1-butanol is important in the pharmaceuticals and specialty chemicals industries, and selectivity is challenging for two reasons: 1) CO2 and H2O are significantly more stable than butanol, and 2) even 2-butanol is more stable than 1-butanol, since the secondary carbon is more reactive than the primary one. Thus designing a catalyst for production of 1-butanol requires designing precisely tuned catalyst sites that 1) activate the C-H bonds of an alkane without over-dehydrogenating, 2) favor oxidation without overoxidizing, and 3) exclusively target the primary carbon of butane. The aim of this project is to design a metal nanoparticle catalyst encapsulated within a metal-organic framework (MOF) for this purpose. MOFs are porous crystalline solids comprised of metal-based nodes connected by organic “linker” molecules. The appropriate MOF for this system has small pores that force the surface/molecule interaction to occur at the molecule’s terminus. The appropriate metal nanoparticle optimally balances dehydrogenation, hydrogenation, and oxidation processes. In this work, we use molecular simulations to map out several possible pathways for 2 C4H10 + O2 à 2 C4H9OH on oxygen-covered transition metal catalyst surfaces, using “featureless” rings comprised of He to simulate the steric restrictions imposed by the MOF pores. Our results suggest that C-H bond activation proceeds through an “oxygen assisted” mechanism, that a key intermediate in the reaction is the 1-butoxy C4H9O* radical, and that over-dehydrogenation of both the terminal and secondary C is possible. This is true even in MOFs where the pores have diameters that are similar to the kinetic diameter of butane, emphasizing the challenge in designing highly selective catalysts.

Seminar Speaker:

Rachel Getman

Rachel Getman

Clemson university

Rachel B. Getman is an Assistant Professor in Chemical and Biomolecular Engineering at Clemson University. Her group uses quantum chemical calculations and Monte Carlo and molecular dynamics simulations to investigate molecular-level phenomena at fluid/solid interfaces. She is particularly interested in catalytic processes that occur under aqueous conditions and in catalysis involving metal-organic frameworks (MOFs). Dr. Getman earned her PhD from the University of Notre Dame in 2009, where she worked with Prof. William F. Schneider studying catalytic oxidations under finite pressures of O2. From 2009 – 2011, she was a Postdoctoral Research Fellow with Prof. Randall Q. Snurr, studying gas storage in MOFs. Dr. Getman started her independent career in August 2011, just three months after the birth of her first child, a daughter. She subsequently gave birth to a son, just three days before she was awarded her first grant. Dr. Getman lives with her husband and their two children in Six Mile, SC. 

Nanocomposites with Grafted Nanoparticles

Nanocomposites with Grafted Nanoparticles

Start:

9/29/2015 at 3:30PM

End:

9/29/2015 at 4:30PM

Location:

141 DeBartolo

Host:

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Jonathan Whitmer

Jonathan Whitmer

VIEW FULL PROFILE Email: jwhitme1@nd.edu
Phone: 574-631-1417
Office: 122 Cushing

Affiliations

College of Engineering Assistant Professor
Equilibrium and Nonequilibrium Polyelectrolytes: Much in our world exists out of equilibrium. Weather patterns develop and disperse; cells grow and multiply; combustion engines turn molecular bonds into usable energy. Manufacturing processes utilize shear, compression, extrusion and flow to ...
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A central area of research in the soft matter community is inorganic/organic hybrid materials with nanoscale inorganic particles. These materials have been focused on due to their promise of having synergistic thermal, mechanical and optical properties relative to the pure materials. It is now accepted that the spatial distribution of the inorganic nanoparticles critically affects the properties of the resulting materials, but a grand challenge is withto control the spatial distribution of the inorganic, hydrophilic nanoparticles in the organic, hydrophobic polymer matrix. I focus on one particular approach to controlling nanoparticle spatial dispersion, the use of polymer-grafted nanoparticles (NP). In the case where the NP and the grafted polymer chains energetically “dislike” each other, we have an architecture akin to a microphase separated block copolymer or a surfactant. Analogous to surfactants, these grafted nanoparticles also assemble into a range of morphologies, thus giving us the unprecedented ability to control the particle dispersion state.

 In this talk I first focus on the factors controlling this assembly and use this knowledge to consider the utility of other approaches to self-assembly – we show that the use of crystallizable polymers allows us to control nanoparticle order, in particular by varying the rate at which these materials crystallize. This allows us to mimic the growth of organisms such as nacre and oysters, whose shells combine the dual advantages of high strength and toughness. In a different vein, these grafted nanoparticles show the ability to creating membranes that have the potential to revolutionize the separation of hydrocarbons and in carbon sequestration.

Seminar Speaker:

Dr. Sanat Kumar

Dr. Sanat Kumar

Columbia University

Sanat K. Kumar is Professor and Department Chair at Columbia University’s Department of Chemical Engineering. His research interests include: biochemical engineering, composite materials, interfacial phenomena, nanotechnology, and polymers.

A 40 Year Journey Through Teaching, Research and Roads Less Travelled

How to summarize one’s four-decade journey as a university professor in 40 minutes?

A 40 Year Journey Through Teaching, Research and Roads Less Travelled

Start:

10/27/2015 at 3:30PM

End:

10/27/2015 at 4:30PM

Location:

141 DeBartolo

Host:

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Edward Maginn

Edward Maginn

VIEW FULL PROFILE Email: ed@nd.edu
Phone: 574-631-5687
Website: http://www.nd.edu/~ed/
Office: 182A Fitzpatrick Hall

Affiliations

Department of Chemical and Biomolecular Engineering Dorini Family Professor of Energy Studies and Department Chair
College of Engineering Dorini Family Professor of Energy Studies and Chair of the Department of Chemical and Biomolecular Engineering
The research in our group focuses on developing a fundamental understanding of the link between the physical properties of materials and their chemical constitution. Much of our work is devoted to applications related to energy and the environment. The main tool we use is molecular simulation. In ...
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How to summarize one’s four-decade journey as a university professor in 40 minutes? This presentation will highlight my teaching and research on selective topics in Catalysis and reaction Engineering, my research with model catalysts such as single crystals, films, and molecular clusters and how such results have led to the recent concept of operando characterization.

I will also describe unique computer simulations involving special reactors and software, as well as our group’s Monte Carlo simulations of surface reactions on 3D crystallites All of the PhD students that I have directed were required to develop computer simulations of their reaction-reactor systems.

I  will touch upon developments in my teaching methods involving computer technology, and the special characteristics of the main courses taught in Transport Phenomena, Catalysis, and Reaction Engineering, in which I emphasize connections with research. This includes a special interdisciplinary International Summer course on Global Sustainability and the relevance of these results and topics to current world affairs regarding consumption and resource balance.

I will conclude with my experiences in the fun part of academic life, which provides the opportunity to find new understanding in my field as well as of other cultures.  I will share my thoughts on the rich resources available here ND that makes life diverse and enjoyable.

Seminar Speaker:

Dr. Eduardo Wolf

Dr. Eduardo Wolf

University of Notre Dame

Eduardo E. Wolf received his PhD from UC Berkeley and came to Notre Dame as an Assistant Professor in 1975. He was named the Anthony Earley Professor of Energy and the Environment in 2013. His research areas include heterogeneous catalysis, photocatalysis, hydrogen generation, and reaction generation.

Edison Lecture: New Concepts in Biosensing using Single Walled Carbon Nanotubes and Graphene

Our lab at MIT has been interested in how the 1D and 2D electronic structures of carbon nanotubes and graphene respectively can be utilized to advance new concepts in molecular detection. We introduce CoPhMoRe or corona phase molecular recognition1 as a method of discovering synthetic antibodies, or nanotube-templated recognition sites from a heteropolymer library.

Edison Lecture: New Concepts in Biosensing using Single Walled Carbon Nanotubes and Graphene

Start:

11/2/2015 at 3:30PM

End:

11/2/2015 at 4:30PM

Location:

Annenberg Auditorium, Snite Museum

Host:

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Paul Bohn

Paul Bohn

VIEW FULL PROFILE Email: pbohn@nd.edu
Phone: 574-631-1849
Website: http://www.bohnresearchgroup.com
Office: 318 Stinson-Remick

Affiliations

College of Engineering Arthur J. Schmitt Professor
Dr. Bohn’s research interests include: (a) integrated nanofluidic and microfluidic chemical measurement strategies for personal monitoring, (b) chemical and biochemical sensing in mass-limited samples, (c) smart materials, and (d) molecular approaches to nanotechnology.  He holds a joint ...
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Our lab at MIT has been interested in how the 1D and 2D electronic structures of carbon nanotubes and graphene respectively can be utilized to advance new concepts in molecular detection. We introduce CoPhMoRe or corona phase molecular recognition1 as a method of discovering synthetic antibodies, or nanotube-templated recognition sites from a heteropolymer library. We show that certain synthetic heteropolymers, once constrained onto a single-walled carbon nanotube by chemical adsorption, also form a new corona phase that exhibits highly selective recognition for specific molecules. To prove the generality of this phenomenon, we report three examples of heteropolymers–nanotube recognition complexes for riboflavin, L-thyroxine and estradiol. The platform opens new opportunities to create synthetic recognition sites for molecular detection. We have also extended this molecular recognition technique to neurotransmitters, producing the first fluorescent sensor for dopamine. Another area of advancement in biosensor development is the use of near infrared fluorescent carbon nanotube sensors for in vivo detection2. Here, we show that PEG-ligated d(AAAT)7 DNA wrapped SWNT are selective for nitric oxide, a vasodilator of blood vessels, and can be tail vein injected into mice and localized within the viable mouse liver. We use an SJL mouse model to study liver inflammation in vivo using the spatially and spectrally resolved nIR signature of the localized SWNT sensors. Lastly, we discuss graphene as an interfacial optical biosensor, showing that it possesses two pKa values in alkaline and basic ranges. We use this response to measure dopamine in real time, spatially resolved at the interface with living PC12 cells which efflux dopamine, indicating graphene’s promise as an interfacial sensor in biology.

  1. Zhang, JQ et. al. Molecular recognition using corona phase complexes made of synthetic polymers adsorbed on carbon nanotubes. Nature Nanotechnology, 8, 12, 2013, 959-968
  2. Iverson, NM, et. al. In vivo biosensing via tissue-localizable near-infrared-fluorescent singlewalled carbon nanotubes. Nature Nanotechnology, 8, 11, 2013, 873-880

    Seminar Speaker:

    Dr. Michael Strano

    Dr. Michael Strano

    Massachusetts Institute of Technology

    Professor Michael S. Strano is currently the Carbon P. Dubbs Professor of Chemical Engineering at the Massachusetts Institute of Technology. He received his B.S from Polytechnic University in Brooklyn, NY and Ph.D. from the University of Delaware both in Chemical Engineering. He was a post doctoral research fellow at Rice University in the departments of Chemistry and Physics under the guidance of Nobel Laureate Richard E. Smalley. From 2003 to 2007, Michael was an Assistant Professor in the Department of Chemical and Biomolecular Engineering at the University of Illinois at Urbana-Champaign before moving to MIT. His research focuses on biomolecule/nanoparticle interactions and the surface chemistry of low dimensional systems, nano-electronics, nanoparticle separations, and applications of vibrational spectroscopy to nanotechnology. Michael is the recipient of numerous awards for his work from 2005 to the present.

    http://web.mit.edu/stranogroup/

    Building Tumor Microenvironments to Breakdown Tumor Metastasis

    Metastasis is the leading cause of fatality for women diagnosed with breast cancer. The most common anatomical sites of distant tumor growth include the brain, lung, liver, and bone, and it is well known that this metastatic spread in breast cancer is not random.

    Building Tumor Microenvironments to Breakdown Tumor Metastasis

    Start:

    11/3/2015 at 3:30PM

    End:

    11/3/2015 at 4:30PM

    Location:

    141 DeBartolo Hall

    Host:

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    Jeremiah Zartman

    Jeremiah  Zartman

    VIEW FULL PROFILE Email: zartman.3@nd.edu
    Phone: 574-631-0455
    Website: http://www.nd.edu/~jzartman/
    Office: 122C Cushing Hall

    Affiliations

    College of Engineering Assistant Professor
    Bioengineering Graduate Program Assistant Professor
    Developing new strategies for building tissues and treating degenerative tissue diseases requires investigating animal development from an engineering perspective. Probing animal development with quantitative tools can potentially improve traditional methods of tissue engineering as well as ...
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    Metastasis is the leading cause of fatality for women diagnosed with breast cancer. The most common anatomical sites of distant tumor growth include the brain, lung, liver, and bone, and it is well known that this metastatic spread in breast cancer is not random. Rather, different clinical subtypes of breast cancer exhibit unique patterns of metastatic site preference. Given the physical and chemical diversity of these secondary tissue sites, my lab hypothesizes that there is a relationship between the biophysical and biochemical properties of the tissue, and the ability of cells within a particular subtype of breast cancer to adhere, migrate, grow, and respond to chemotherapeutics at these secondary sites. We create biomaterial microenvironments, which capture some of the key physical and biochemical elements of the secondary site tissues often recipient of breast cancer spread (brain, lung, and bone). Our approach is revealing how cell-material interactions are predictive of metastatic spread and non-canonical signaling pathways involved in drug resistance at these tissue sites. First, we can use a cell-ECM screening method in vitro to predict where a cell will metastasize in vivo (Barney et al. 2015). Second, we have demonstrated that a stiff tumor microenvironment reduces sorafenib treatment efficacy, which can be abrogated via JNK inhibition (Nguyen et al 2014). I will discuss these and current efforts toward biomaterial capture of dormant metastatic cells, rapid tumor spheroid formation, and the role of mesenchymal stem cells in drug resistance. We propose that these types of biomaterial environments can be used to predict tissue-specific metastasis, and may serve as a system that pharmaceutical companies can use to rule out false positives and potentially save billions of dollars in the drug development pipeline.

    Seminar Speaker:

    Dr. Shelly Peyton

    Dr. Shelly Peyton

    University of Massachusetts Amherst

    Shelly Peyton is the Barry and Afsaneh Siadat Assistant Professor of Chemical Engineering at the University of Massachusetts, Amherst. She received her B.S. in Chemical Engineering from Northwestern University in 2002 and went on to obtain her MS and PhD in Chemical Engineering from the University of California, Irvine.  She was then an NIH Kirschstein post-doctoral fellow in the Biological Engineering department at MIT before starting her academic appointment at UMass in 2011.  Her research interests are in biomaterial design and understanding how cell-material interactions contribute to cancer aggressiveness, cardiovascular disease progression, and regenerative medicine. Since arriving at UMass she has been named a Pew Biomedical Scholar, received a New Innovator Award from the NIH, and she was recently awarded a CAREER grant from the NSF.

    Electrodialysis and Water-Oil Separations Using Membranes Coated with Polyelectrolyte Brushes and Multilayers

    Professor Merlin Bruening of Michigan State University has been invited by CBE to give his seminar on Tuesday, November 17, 2015.

    Electrodialysis and Water-Oil Separations Using Membranes Coated with Polyelectrolyte Brushes and Multilayers

    Start:

    11/17/2015 at 3:30PM

    End:

    11/17/2015 at 4:30PM

    Location:

    Eck Visitors Center Auditorium

    Host:

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    Edward Maginn

    Edward Maginn

    VIEW FULL PROFILE Email: ed@nd.edu
    Phone: 574-631-5687
    Website: http://www.nd.edu/~ed/
    Office: 182A Fitzpatrick Hall

    Affiliations

    Department of Chemical and Biomolecular Engineering Dorini Family Professor of Energy Studies and Department Chair
    College of Engineering Dorini Family Professor of Energy Studies and Chair of the Department of Chemical and Biomolecular Engineering
    The research in our group focuses on developing a fundamental understanding of the link between the physical properties of materials and their chemical constitution. Much of our work is devoted to applications related to energy and the environment. The main tool we use is molecular simulation. In ...
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    Membranes with ultrathin selective skins facilitate separations such as reverse osmosis and removal of oil from contaminated water.  The minimal skin thickness affords high flux, whereas control of the skin chemistry enhances selectivity and increase fouling resistance.  This presentation will first describe coating of ion-exchange membranes with polyelectrolyte multilayers to achieve K+/Mg2+, K+/La3+, and Li+/Co2+ electrodialysis selectivities >1000.  These unprecedented selectivities may prove useful in salt purification and recycling of Li and Co from batteries.  The polyelectrolyte films on ion-exchange membranes give rise to unique limiting currents and water splitting, which depend on the number of layers in the film.  Modeling of ion partitioning suggests that deviations from electrical neutrality may occur in an electrical double-layer that spans the entire ultrathin film of a membrane.  Regions depleted of cations or anions will greatly increase resistance to ion transport, and the thinnest barrier layers should give the highest ion rejections in nanofiltration. 

                We are also investigating adsorption of surfactants and oil emulsions on membranes coated with polyanionic brushes.  During filtration of emulsions stabilized with a cationic surfactant, adsorption leads to brush collapse and rapid oil breakthrough.  In contrast, polyanionic brushes do not adsorb anionic surfactants and show no fouling during filtration of oil emulsions stabilized with these surfactants.  Negatively charged commercial nanofiltration membranes rapidly foul during filtration of emulsions stabilized with either cationic or anionic surfactants, showing that the high charge density in polyanionic brushes is necessary to combat fouling.  Direct imaging of oil droplets during cross-flow of emulsions across brush-coated membranes confirms these results.  Thus, knowledge of the surfactants present in an oil-containing solution should allow design of specific brush-coated surfaces that resist fouling.

    Seminar Speaker:

    Dr. Merlin Bruening

    Dr. Merlin Bruening

    Michigan State University

    Merlin Bruening is a professor in Michigan State University's Department of Chemistry.

    Ernest W. Thiele Lectureship presents Samuel K. Sia, Microfluidics for 3D tissue engineering and personal health diagnostics

    Fall Graduate Seminar Series Presents Sam Sia for the 2015 Thiele Lecture

    Ernest W. Thiele Lectureship presents Samuel K. Sia, Microfluidics for 3D tissue engineering and personal health diagnostics

    Start:

    12/1/2015 at 3:30PM

    End:

    12/1/2015 at 4:30PM

    Location:

    Eck Visitors Center Auditorium

    Host:

    College of Engineering close button
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    Edward Maginn

    Edward Maginn

    VIEW FULL PROFILE Email: ed@nd.edu
    Phone: 574-631-5687
    Website: http://www.nd.edu/~ed/
    Office: 182A Fitzpatrick Hall

    Affiliations

    Department of Chemical and Biomolecular Engineering Dorini Family Professor of Energy Studies and Department Chair
    College of Engineering Dorini Family Professor of Energy Studies and Chair of the Department of Chemical and Biomolecular Engineering
    The research in our group focuses on developing a fundamental understanding of the link between the physical properties of materials and their chemical constitution. Much of our work is devoted to applications related to energy and the environment. The main tool we use is molecular simulation. In ...
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    I will discuss the use of microfluidic techniques for two different applications: controlling 3D microenvironments of cells and tissues, and for developing low-cost point-of-care diagnostics for use in U.S. and in developing countries.

    A number of microfluidic techniques have been developed in our group for controlling the 3D microenvironments of cells and tissues to high resolution.  These techniques are useful for studying microvascularization in a number of organ systems, and for engineering implantable devices. 

    In the second half of the talk, I will discuss the development of lab-on-a-chip devices for personal health in the U.S., and for diagnosing diseases for global health.  I will discuss our lab's current efforts, in conjunction with partners in industry, public health, and local governments, to develop new rapid diagnostic tests for use in sub-Saharan Africa.

    Seminar Speaker:

    Dr. Samuel K. Sia

    Dr. Samuel K. Sia

    Columbia University

    Samuel Sia, an associate professor of Biomedical Engineering at Columbia University, has developed novel technologies for microfluidics-based methods for point-of-care diagnostics, both in an academic and industry setting (as a founder and chair of scientific advisory board of Claros Diagnostics, a startup company that has recently garnered European regulatory approval for a diagnostics product). Dr. Sia’s work in global health diagnostics, specifically, has garnered coverage from Nature, Science, JAMA, Washington Post, BBC, NPR, Voice of America, Science News, Popular Science, Chemical and Engineering News, and MIT Technology Review. Sia is using the powerful techniques of microfluidics to build low-cost handheld devices for performing sophisticated medical tests on a small microchip. His lab-on-a-chip device has been tested in Rwanda to collect and analyze blood tests at a patient’s bedside to diagnose infectious diseases. Dr. Sia has a B.Sc. in Biochemistry from the University of Alberta, and a Ph.D. in Biophysics from Harvard University. Dr. Sia completed a Postdoctoral program in Chemistry and Chemical Biology at Harvard University.

    https://synaptic.nyc/organizations/sialab

    Seminar Sponsors:

    Thiele Lectureship

    The Thiele Lectureship was established in 1986 to honor Dr. Thiele's association with Notre Dame's Department of Chemical and Biomolecular Engineering. The Lectureship is intended to recognize outstanding research contributions by a younger member of the chemical engineering profession. This lecture occurs annually each fall. Previous lecturers in the series are listed below. Learn more about Dr. Thiele here.

    Heterogeneous Catalysis: Synthesis, Spectroscopy and Kinetics of Supported Metal Oxide Catalysts for Natural Gas Upgrading

    Heterogeneous Catalysis: Synthesis, Spectroscopy and Kinetics of Supported Metal Oxide Catalysts for Natural Gas Upgrading

    Start:

    1/21/2016 at 12:30PM

    End:

    1/21/2016 at 1:30PM

    Location:

    141 DeBartolo Hall

    Host:

    College of Engineering close button
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    Edward Maginn

    Edward Maginn

    VIEW FULL PROFILE Email: ed@nd.edu
    Phone: 574-631-5687
    Website: http://www.nd.edu/~ed/
    Office: 182A Fitzpatrick Hall

    Affiliations

    Department of Chemical and Biomolecular Engineering Dorini Family Professor of Energy Studies and Department Chair
    College of Engineering Dorini Family Professor of Energy Studies and Chair of the Department of Chemical and Biomolecular Engineering
    The research in our group focuses on developing a fundamental understanding of the link between the physical properties of materials and their chemical constitution. Much of our work is devoted to applications related to energy and the environment. The main tool we use is molecular simulation. In ...
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    My overarching goal is to understand the factors controlling reactivity and selectivity of supported transition metal oxide catalysts in the activation of light alkanes. In the first part of my presentation, I will highlight and explain the  properties and advantages of using supported metal oxides at sub- and monolayer coverage. Then, I will discuss relevant results on the synthesis, characterization and kinetics of a library of different supported binary and ternary metal oxide catalysts, emphasizing the synergetic effects of mixed transition metal oxides at sub-monolayer and monolayer coverage in the C-H activation of gaseous alkanes. I will describe my research’s journey on the oxidative dehydrogenation of propane on well-defined supported vanadium oxide catalysts to achieve the highest productivity towards propylene (~9 KgC3H6/KgCAT*h) and - recently - the highest vanadia dispersion on SiO2 (~9 V/nm2) ever reported. Finally, I will show the importance of linking kinetics and - in situ/operando - spectroscopy to get new mechanistic insights to eventually establish quantitative structure-activity/selectivity relationships.

    Seminar Speaker:

    Carlos A. Carrero

    Carlos A. Carrero

    University of Wisconsin-Madison

    Dr. Carlos A. Carrero is a postdoctoral researcher currently working with Prof. Ive Hermans at University of Wisconsin-Madison (2014-present). Carlos has been working on crude oil, natural gas, and biomass upgrading with heterogeneous catalysts. His research is inspired by industrially attractive reactions, while at the same time he implements fundamental experiments to gather new mechanistic insights in order to improve and develop catalytic processes. Prior to his appointment at UW-Madison, he was a postdoctoral researcher in Prof. Robert Schloegl’s group at the Max Planck Institute for Chemical Energy conversion in Muelheim an der Ruhr, Germany (2013-2014). Carlos obtained his Ph.D. at the Technical University of Berlin (2008-2012) tutored by Prof. Reinhard Schomaecker and Prof. Klaus-Peter Dinse. During his Ph.D., he joined the “Berlin International Graduate Scholl of Natural Science and Engineering” (BIG-NSE), a highly respected catalysis school. Carlos is originally from Venezuela, where he completed his undergraduate studies (2005) and then joined Venezuela’s oil company (2006-2008).

    Supramolecular Engineering of Peptide and Protein Therapeutics

    Supramolecular Engineering of Peptide and Protein Therapeutics

    Start:

    1/26/2016 at 12:30PM

    End:

    1/26/2016 at 1:30PM

    Location:

    136 DeBartolo Hall

    Host:

    College of Engineering close button
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    Edward Maginn

    Edward Maginn

    VIEW FULL PROFILE Email: ed@nd.edu
    Phone: 574-631-5687
    Website: http://www.nd.edu/~ed/
    Office: 182A Fitzpatrick Hall

    Affiliations

    Department of Chemical and Biomolecular Engineering Dorini Family Professor of Energy Studies and Department Chair
    College of Engineering Dorini Family Professor of Energy Studies and Chair of the Department of Chemical and Biomolecular Engineering
    The research in our group focuses on developing a fundamental understanding of the link between the physical properties of materials and their chemical constitution. Much of our work is devoted to applications related to energy and the environment. The main tool we use is molecular simulation. In ...
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    Through molecular engineering, it is possible to address complexities associated with the deficiencies and dynamics of diseases, such as ischemia and diabetes, in order to engineer improved therapies. The biological relevance of peptides, and the ability to precisely engineer supramolecular interactions through directional assembly and organized hydrogen bonding, enables the generation of platforms that can be utilized as functional therapeutic materials. These bio-inspired materials interface with biology and physiology in a mimetic and active way. Self-assembling peptides can be used to present potent bioactive signals at high density to mimic the function of angiogenic growth factors, or to prepare favorable niches for stem and progenitor cell therapeutics. Molecular interactions can additionally be leveraged to alter therapeutic dynamics and afford aspects of biologically relevant sensing in molecularly engineered protein therapies. Diabetes, and the complexities associated with glycemic control, present a significant engineering constraint in the design of therapies to recapitulate and replace the dynamics of native insulin signaling. Through covalent modification of insulin with molecular recognition motifs and aliphatic groups, the kinetics of insulin activity can be modulated by glucose-mediated dynamic covalent interactions, resulting in biomimetic insulin therapy. Alternatively, precise supramolecular host-guest interactions can be used to tune both the stability and activity of a broad suite of biopharmaceuticals, including insulin. In sum, these findings point to a new era of rationally engineered therapies rooted in predictable, biomimetic, tunable, and dynamic intermolecular and supramolecular interactions.

    Seminar Speaker:

    Matthew Webber

    Matthew Webber

    Massachusetts Institute of Technology

    Dr. Matthew Webber received a BSc in Chemical Engineering from the University of Notre Dame, graduating with honors and receiving an award for excellence in undergraduate research. He then obtained both MS and PhD degrees in Biomedical Engineering from Northwestern University. His dissertation, performed in the laboratory of Prof. Samuel Stupp, focused on the use supramolecular peptide assemblies for cardiovascular disease therapeutics. While at Northwestern, he was supported by an NIH fellowship through the Regenerative Medicine Training Program, and his dissertation research was awarded the Acta Biomaterialia Student Award and the Northwestern BME Dudley Childress Award. He is presently an NIH NRSA postdoctoral fellow in the laboratories of Prof. Robert Langer and Prof. Daniel Anderson at MIT, working on the development of new molecular engineering approaches toward the treatment of diabetes. He co-chaired the inaugural Gordon Research Symposium on Biomaterials and Tissue Engineering in 2013, and organized a New Frontiers Symposium on Supramolecular Biomaterials for the 2016 World Biomaterials Congress.  His research passion is to contribute to bringing the field of Supramolecular Therapeutics into prominence. He has authored 38 peer-reviewed papers, is inventor on 5 pending or awarded patents, and has been committed to the education and training of many students and researchers through his teaching and mentorship. His personal interests include Notre Dame football, eating BBQ, and spending time with his wife and daughter.

    Engineering soft matter through particle shape and surface features

    Engineering soft matter through particle shape and surface features

    Start:

    1/28/2016 at 12:30PM

    End:

    1/28/2016 at 1:30PM

    Location:

    141 DeBartolo Hall

    Host:

    College of Engineering close button
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    Edward Maginn

    Edward Maginn

    VIEW FULL PROFILE Email: ed@nd.edu
    Phone: 574-631-5687
    Website: http://www.nd.edu/~ed/
    Office: 182A Fitzpatrick Hall

    Affiliations

    Department of Chemical and Biomolecular Engineering Dorini Family Professor of Energy Studies and Department Chair
    College of Engineering Dorini Family Professor of Energy Studies and Chair of the Department of Chemical and Biomolecular Engineering
    The research in our group focuses on developing a fundamental understanding of the link between the physical properties of materials and their chemical constitution. Much of our work is devoted to applications related to energy and the environment. The main tool we use is molecular simulation. In ...
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    A central challenge in soft matter and materials science is the microscopic engineering of functional materials. Incorporating anisotropy here is of general interest, for example in actin networks, clay platelets, and polymer nanocomposites where geometry, ordering, and kinetics all play important roles in determining their properties. Nevertheless, forming a general connection between microstructure and macroscale properties is not trivial. Here, I focus on the self-assembly and mechanics of colloidal materials with an emphasis on how shape anisotropy and interaction potential can be used to guide their design. I will first discuss the relevance of the physical interactions that give rise to a general class of colloidal gels. Then, I will introduce structural rigidity in the context of gels undergoing large deformations, and how shape anisotropy can introduce unusual states through kinetic trapping. Lastly, I will show that the slowed rotational dynamics caused by surface roughness can lead to enhanced shear thickening that is not seen with smooth colloids. These results collectively show that particle-level interactions provide a powerful means to design soft materials at multiple length scales.

    Seminar Speaker:

    Lilian Hsiao

    Lilian Hsiao

    Massachusetts Institute of Technology

    Lilian Hsiao is currently a Postdoctoral Associate in Chemical Engineering at the Massachusetts Institute of Technology. Previously, she earned her Ph.D. in Chemical Engineering from the University of Michigan (2014), and her B.S. in Chemical Engineering from the University of Wisconsin-Madison (2007). She is the recipient of the Rackham Predoctoral Fellowship for outstanding doctoral dissertations. She is particularly interested in linking the flow and mechanical properties of soft colloidal materials to their microscale dynamics and structure.

    Harnessing Engineering and Biology to Understand Cell Locomotion in Confinement

    Konstantinos Konstantopoulos, Professor and Chair, Department of Chemical & Biomolecular Engineering, The Johns Hopkins University

    Harnessing Engineering and Biology to Understand Cell Locomotion in Confinement

    Start:

    3/22/2016 at 12:30PM

    End:

    3/22/2016 at 1:30PM

    Location:

    136 DeBartolo Hall

    Host:

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    Edward Maginn

    Edward Maginn

    VIEW FULL PROFILE Email: ed@nd.edu
    Phone: 574-631-5687
    Website: http://www.nd.edu/~ed/
    Office: 182A Fitzpatrick Hall

    Affiliations

    Department of Chemical and Biomolecular Engineering Dorini Family Professor of Energy Studies and Department Chair
    College of Engineering Dorini Family Professor of Energy Studies and Chair of the Department of Chemical and Biomolecular Engineering
    The research in our group focuses on developing a fundamental understanding of the link between the physical properties of materials and their chemical constitution. Much of our work is devoted to applications related to energy and the environment. The main tool we use is molecular simulation. In ...
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    Cell migration is a fundamental process underlying diverse (patho)physiological phenomena, including cancer metastasis.  Much of what we know about the mechanisms of cell locomotion stems from in vitro studies using two-dimensional (2D) substrates.  Cell locomotion in 2D is driven by cycles of actin protrusion, integrin-mediated adhesion and myosin-dependent contraction.  A major pitfall of 2D assays is that they fail to account for the physical confinement that cells encounter within the physiological tissue microenvironment.  The presentation will challenge the conventional wisdom regarding cell motility mechanisms, and show that migration through physically constricted spaces does not require integrin-dependent adhesion or myosin contractility, and persists even when filamentous actin is disrupted.  Using an integrated experimental and theoretical approach that combines microfluidics, molecular biology, live cell imaging, and mathematical modeling, we will present the “Osmotic Engine Model” of cell migration, which relies on directed water permeation through the cell membrane.  The seminar will also discuss how cells sense and adapt to different physical microenvironments.  We will conclude by discussing the interplay of physical cues and intracellular signaling in cell decisions in bifurcating channels with asymetric hydraulic resistances.

    Seminar Speaker:

    Konstantinos Konstantopoulos

    Konstantinos Konstantopoulos

    The Johns Hopkins University

    Konstantinos Konstantopoulos, Professor and Chair, Department of Chemical & Biomolecular Engineering, The Johns Hopkins University, Baltimore, MD, 21218

    Received the Diploma of Chemical Engineering from the National Technical University of Athens, Greece in 1989 and the Ph.D. degree in Chemical Engineering from Rice University in 1995.  From 1995 to 1997 he was a postdoctoral fellow in the Institute of Biosciences and Bioengineering at Rice University.  He joined the faculty of Chemical and Biomolecular Engineering at the Johns Hopkins University in 1997, and has been serving as Department Chair since 2008.  He was elected Fellow of the American Institute for Medical and Biological Engineering in 2009 and of the Biomedical Engineering Society in 2012.  He serves on the Editorial Board of The American Journal of Physiology Cell Physiology (2005-present), Technology (2013-present) and Annual Review of Biomedical Engineering  (2013-present), and as a section Editor of Current Opinion in Chemical Engineering, and as Associate Editor of the Annals of Biomedical Engineering (2009-present).  He also served as Chair of the Bioengineering Technology and Surgical Sciences (BTSS) study section of the National Institutes of Health (2011-2013).  His research is at the interface of engineering and biology pertinent to cancer metastasis.  Some of his key bioengineering research contributions include the discovery of novel adhesion molecules involved in tumor cell adhesion in the vasculature, the biophysical characterization of these adhesive interactions at the single-molecule level, and the elucidation of novel signaling mechanisms during cell migration through physically confined microenvironments. He has published >120 peer-reviewed articles in premier journals such as Cell, Proc. Natl. Acad. Sci. USA, Nature Reviews Cancer, Journal of Cell Biology, Current Biology, Blood, Oncogene etc.  Eight of his mentees have launched successful academic careers in premier institutions, whereas another ten have joined the government or industry and now hold leading appointments.  He is currently the PI on three NIH R01 grants including a Bioengineering Research Partnership grant.

    http://kostaslab.johnshopkins.edu/

    Reilly Lecture: Layer-by-Layer Synthesis of Nanoscale Materials for Energy Conversion

    Stacey F. Bent, Department of Chemical Engineering Stanford University

    Reilly Lecture: Layer-by-Layer Synthesis of Nanoscale Materials for Energy Conversion

    Start:

    4/5/2016 at 12:30PM

    End:

    4/5/2016 at 1:30PM

    Location:

    Eck Visitors Center Auditorium

    Host:

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    Edward Maginn

    Edward Maginn

    VIEW FULL PROFILE Email: ed@nd.edu
    Phone: 574-631-5687
    Website: http://www.nd.edu/~ed/
    Office: 182A Fitzpatrick Hall

    Affiliations

    Department of Chemical and Biomolecular Engineering Dorini Family Professor of Energy Studies and Department Chair
    College of Engineering Dorini Family Professor of Energy Studies and Chair of the Department of Chemical and Biomolecular Engineering
    The research in our group focuses on developing a fundamental understanding of the link between the physical properties of materials and their chemical constitution. Much of our work is devoted to applications related to energy and the environment. The main tool we use is molecular simulation. In ...
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    With the intensifying global need for alternative energy, there is strong interest in developing new materials for sustainable energy devices. This talk will describe research on nanoscale materials for solar photovoltaics and solar fuel production.  The focus is on using layer-by-layer synthetic strategies, namely atomic layer deposition (ALD), to generate the nanoscale materials with a high level of control over composition, structure, and thickness. Two energy applications will be described. The first is photovoltaics, in which ALD is used to deposit different components of solar cells, including the absorber layer and recombination barrier layers in quantum dot solar cells.  The second application is electrocatalysis for water splitting to produce hydrogen for fuel. We show that nanometer thick electrocatalyst layers of earth abundant materials deposited by ALD are active for the oxygen evolution reaction, an important reaction in the conversion of sunlight to fuels.  We also use this layer-by-layer synthetic strategy to explore other metal oxides for electrocatalysis, to study charge transport limitations in the catalysts, and to achieve compositional control over ternary metal oxide and doped metal oxide thin films.

    Seminar Speaker:

    Stacey F. Bent

    Stacey F. Bent

    Stanford University

    Stacey F. Bent is Chair of the Department of Chemical Engineering and the Jagdeep and Roshni Singh Professor in the School of Engineering at Stanford University, where she is appointed Professor of Chemical Engineering and Professor, by courtesy, of Chemistry, of Materials Science and Engineering, and of Electrical Engineering. Professor Bent serves as the Director of the TomKat Center for Sustainable Energy and is a senior fellow in the Precourt Institute of Energy. Professor Bent obtained her B.S. degree in chemical engineering from UC Berkeley and her Ph.D. degree in chemistry from Stanford. After carrying out postdoctoral work at AT&T Bell Laboratories, she joined the faculty of the Chemistry Department at New York University. She moved to Stanford University in 1998.

    Professor Bent’s research is focused on understanding surface and interfacial chemistry and materials synthesis, and applying this knowledge to a range of problems in sustainable energy, semiconductor processing, and nanotechnology. Her group currently studies new materials and processes for electronics, solar cells and solar fuels, and catalysts. She has published over 200 papers and has presented nearly 250 invited talks.

    Professor Bent is associate editor of Chemistry of Materials.  She has been recognized with a number of awards for both research and teaching.  She is the Bert and Candace Forbes University Fellow in Undergraduate Education and has won the Tau Beta Pi Award for Excellence in Undergraduate Teaching at Stanford and the Allan V. Cox Medal for Faculty Excellence Fostering Undergraduate Research.  She is a Fellow of the American Chemical Society and the American Vacuum Society (AVS), and has won the Peter Mark Memorial Award from AVS.  She received the Coblenz Award for Molecular Spectroscopy, a Beckman Young Investigator award, and a National Science Foundation CAREER Award. She has been recognized as a Camille Dreyfus Teacher-Scholar and a Research Corporation Cottrell Scholar.

    Seminar Sponsors:

    Initiated in 1958, the distinguished Reilly Lectureship at Notre Dame is perhaps the oldest continuing endowed lectureship in chemical and biomolecular engineering in the United States. The lecture series is supported by the Peter C. Reilly Fund, which was established in 1945 in honor of the late Peter C. Reilly, a former University Trustee and recipient of an honorary LLD degree. The Reilly Lectures now occur annually each spring.

    Reilly Lecture: Powering the Future with Sustainable Energy: How Do We Get There?

    Stacey F. Bent, Department of Chemical Engineering, Stanford University

    Reilly Lecture: Powering the Future with Sustainable Energy: How Do We Get There?

    Start:

    4/6/2016 at 12:30PM

    End:

    4/6/2016 at 1:30PM

    Location:

    Eck Visitors Center Auditorium

    Host:

    College of Engineering close button
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    Edward Maginn

    Edward Maginn

    VIEW FULL PROFILE Email: ed@nd.edu
    Phone: 574-631-5687
    Website: http://www.nd.edu/~ed/
    Office: 182A Fitzpatrick Hall

    Affiliations

    Department of Chemical and Biomolecular Engineering Dorini Family Professor of Energy Studies and Department Chair
    College of Engineering Dorini Family Professor of Energy Studies and Chair of the Department of Chemical and Biomolecular Engineering
    The research in our group focuses on developing a fundamental understanding of the link between the physical properties of materials and their chemical constitution. Much of our work is devoted to applications related to energy and the environment. The main tool we use is molecular simulation. In ...
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    Meeting the world’s growing energy needs sustainably is one of the most important challenges of our time.  Just eight nations consume nearly half of the world’s primary energy supply, largely from non-renewable sources, while over 2 billion people do not have access to modern energy systems. The presentation will introduce the scope of the energy problem and will describe some of the promising solutions on the horizon, with an emphasis on both research and innovation. Research examples from our laboratory, including the use of light concentration strategies to enable ultrathin materials in solar cells, will be presented.  We will also describe the development of an innovation transfer program within the TomKat Center for Sustainable Energy which is designed to help inventors of sustainable energy technologies bridge the gap between research and commercialization. 

    Seminar Speaker:

    Stacey F. Bent

    Stacey F. Bent

    Stanford University

    Stacey F. Bent is Chair of the Department of Chemical Engineering and the Jagdeep and Roshni Singh Professor in the School of Engineering at Stanford University, where she is appointed Professor of Chemical Engineering and Professor, by courtesy, of Chemistry, of Materials Science and Engineering, and of Electrical Engineering. Professor Bent serves as the Director of the TomKat Center for Sustainable Energy and is a senior fellow in the Precourt Institute of Energy. Professor Bent obtained her B.S. degree in chemical engineering from UC Berkeley and her Ph.D. degree in chemistry from Stanford. After carrying out postdoctoral work at AT&T Bell Laboratories, she joined the faculty of the Chemistry Department at New York University. She moved to Stanford University in 1998.

     Professor Bent’s research is focused on understanding surface and interfacial chemistry and materials synthesis, and applying this knowledge to a range of problems in sustainable energy, semiconductor processing, and nanotechnology. Her group currently studies new materials and processes for electronics, solar cells and solar fuels, and catalysts. She has published over 200 papers and has presented nearly 250 invited talks.

     Professor Bent is associate editor of Chemistry of Materials.  She has been recognized with a number of awards for both research and teaching.  She is the Bert and Candace Forbes University Fellow in Undergraduate Education and has won the Tau Beta Pi Award for Excellence in Undergraduate Teaching at Stanford and the Allan V. Cox Medal for Faculty Excellence Fostering Undergraduate Research.  She is a Fellow of the American Chemical Society and the American Vacuum Society (AVS), and has won the Peter Mark Memorial Award from AVS.  She received the Coblenz Award for Molecular Spectroscopy, a Beckman Young Investigator award, and a National Science Foundation CAREER Award. She has been recognized as a Camille Dreyfus Teacher-Scholar and a Research Corporation Cottrell Scholar.

    Seminar Sponsors:

    Initiated in 1958, the distinguished Reilly Lectureship at Notre Dame is perhaps the oldest continuing endowed lectureship in chemical and biomolecular engineering in the United States. The lecture series is supported by the Peter C. Reilly Fund, which was established in 1945 in honor of the late Peter C. Reilly, a former University Trustee and recipient of an honorary LLD degree. The Reilly Lectures now occur annually each spring. 

    Multiscale modeling of soft matter and its Integration to Experiment

    Roland Faller, Dept. of Chemical Engineering & Materials Science, UC Davis

    Multiscale modeling of soft matter and its Integration to Experiment

    Start:

    4/26/2016 at 12:30PM

    End:

    4/26/2016 at 1:30PM

    Location:

    136 DeBartolo Hall

    Host:

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    Jonathan Whitmer

    Jonathan Whitmer

    VIEW FULL PROFILE Email: jwhitme1@nd.edu
    Phone: 574-631-1417
    Office: 122 Cushing

    Affiliations

    College of Engineering Assistant Professor
    Equilibrium and Nonequilibrium Polyelectrolytes: Much in our world exists out of equilibrium. Weather patterns develop and disperse; cells grow and multiply; combustion engines turn molecular bonds into usable energy. Manufacturing processes utilize shear, compression, extrusion and flow to ...
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    The systematic multiscale of heterogeneous soft matter systems is an area of current research. Soft matter materials (including polymers and biomembranes) involve complex multiscale problems. Several techniques to systematically and directly link different length scales are presented where the focus will be on the Iterative Boltzmann Inversion (IBI) as well as on reactive modeling. After introducing the techniques I will show three examples of current problems we can address with our techniques which include Organic Electronics, Morphology Prediction for Silica, and Drug Delivery. In all examples connections between connections between experiment and simulation will be pointed out.

    We apply our multiscale modeling technique to a system for polymer-based solar cells which show promise as a cheap alternative to current silicon-based photovoltaics. Typical systems use a mixture of a light-absorbing conducting polymer as the electron donor and a fullerene derivative as the electron acceptor in the solar cell's photo-active layer. Prediction of the active-layer microstructure based on the constituent materials remains challenging. Atomistic computer simulations are only feasible to study very small systems. We overcome this hurdle by developing a coarse-grained (CG) simulation model of mixtures of the widely used conducting polymer poly(3-hexylthiophene) (P3HT) and various fullerenes. We then use the CG model to characterize the structure and dynamic evolution of the BHJ microstructure as a function of polymer:fullerene mole fraction and polymer chain length for systems approaching the scale of photovoltaic devices. Recently we were able to turn to the very small length scale and explain neutron scattering data.

    An industrially important question is to characterize silica gels and organo-silicon surface coatings. These are formed by reactive condensation of organo-silicon precursors. The morphologies of silica gels obtained from alkoxysilanes can be determined using newly developed models and simulation techniques. It is found that the gels obtained from trialkoxysilanes are more loosely bonded, and that the chemistry of the headgroup is important to the gel morphology. We furthermore can describe the chemisorption of alkoxysilanes with organic headgroups to hydroxylated silica surfaces.

    Supported Lipid Bilayers are an abundant research platform for understanding the behavior of real cell membranes. We studied systematically the changes that a support induces on a phospholipid bilayer using coarse-grained molecular modeling on different levels. We characterize the density and pressure profiles as well as the density imbalance inflicted on the membrane by the support. Changes in the pressure profile can explain the problems of integrating proteins into supported membranes. These results are allowing us to more rationally design biosensors and drug delivery vehicles and even propose a novel class of drug delivery vehicles.

    Seminar Speaker:

    Roland Faller

    Roland Faller

    University of California Davis

    Roland Faller studied physics at the University of Bayreuth, Germany and got his PhD in theoretical physics from the Max Planck Institute of Polymer Research and the University of Mainz for simulation work on polymer melts. Then he moved to the University of Wisconsin for his postdoc with Juan de Pablo in Chemical Engineering. In 2002 he accepted an assistant professor position in Chemical Engineering and Materials Science at UC Davis. His research interests are multiscale modeling of soft materials as well as model and algorithm development. In 2014 he became Co-Chair of the department and after the department split in Spring 2016 he is Chair of Chemical Engineering.

    Single Molecule Investigations of Heterogeneous Catalysts: Probing solvent effects, active site heterogeneity and adsorbate dynamics

    Robert M. Rioux Department of Chemical Engineering The Pennsylvania State University

    Single Molecule Investigations of Heterogeneous Catalysts: Probing solvent effects, active site heterogeneity and adsorbate dynamics

    Start:

    4/19/2016 at 12:30PM

    End:

    4/19/2016 at 1:30PM

    Location:

    136 DeBartolo Hall

    Host:

    College of Engineering close button
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    William Schneider

    William Schneider

    VIEW FULL PROFILE Email: wschneider@nd.edu
    Phone: 574-631-8754
    Website: http://www.nd.edu/~wschnei1/
    Office: 123B Cushing Hall
    The goal of research in the Schneider group is to develop molecular-level understanding, and ultimately to direct molecular-level design, of chemical reactivity at surfaces and interfaces. This heterogeneous chemistry is a key element of virtually every aspect of the energy enterprise, and is ...
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    Metal nanoparticles are key components in the advancement of future energy technologies since they are catalytically active for several organic-inorganic syntheses, electron-transfer, and energy conversion reactions.  They directly promote chemical conversion and/or facilitate chemical transport to active interfaces.  A detailed understanding of the relation between structure and the properties of nanoparticles will lead to tailored catalytic properties.  Although these structure-function relationships are pursued by many researchers; they are typically limited to ensemble-level approaches where the intrinsic catalytic behavior of individuals is masked due to the asynchronicity in real-time of their behaviors during catalytic turnover.  We employ a single molecule approach utilizing a two-state (pro-fluorescent to fluorescent) reduction reaction to examine the catalytic behavior of individual Au nanoparticles with single turnover resolution.  Through kinetic modeling and isotopic labeling of solvent, we demonstrate competitive binding between solvent and substrate accounts for differences in observed catalytic rates at the ensemble level.  Temperature-dependent measurements of the catalytic activity of single nanoparticles reveals heterogeneity in reactivity and kinetic parameters which are due to static dispersion even though the dispersion varies temporally; these variations are ascribed to the intrinsic reactivity of populations of indistinguishable active sites.  Approaches to selectively titrate distinct active site populations on the surface of individual Au nanoparticles have enabled us to distinguish between their intrinsic kinetic behavior and utilizing ideal models of nanoparticle structure confirm their identity and concentration.  The ability to probe reaction dynamics during single molecule catalytic turnover utilizing an experimental and theoretical approach to understand delayed rise times in fluorescent response will be discussed time permitting.

    Seminar Speaker:

    Robert M. Rioux

    Robert M. Rioux

    The Pennsylvania State University

    Robert (Rob) M Rioux is the Friedrich G. Helfferich Assistant Professor of Chemical Engineering at the Pennsylvania State University.  Prior to joining the Pennsylvania State University in 2008, he was a National Institutes of Health Postdoctoral Fellow at Harvard University in the Department of Chemistry and Chemical Biology working with Professor George Whitesides.  He received his Ph.D. in physical chemistry from the University of California, Berkeley in 2006 working for Professor Gabor Somorjai.  He holds a B.S. and M.S. degree in chemical engineering from Worcester Polytechnic Institute and the Pennsylvania State University, respectively.  Since joining the Penn. State faculty, he has received a number of awards, including a DARPA Young Faculty Award, an Air Force Office of Scientific Research Young Investigator Program Award, a NSF CAREER Award and a 3M Non-Tenured Faculty Award.  Research in his laboratory is currently sponsored by NSF, DOE-BES, DARPA, AFOSR, AFRL, ACS-PRF and industry.  His group’s current research focus is on the development of spatially- and temporally-resolved spectroscopic techniques for imaging catalytic chemistry, single molecule methods to understand single molecule/particle catalytic kinetics and dynamics, elucidating reaction mechanisms in nanoscale systems, including catalyst synthesis, development of solution calorimetric techniques to understand catalytic processes at the solid-liquid interface and the development of base-metal catalysts for chemoselective chemical transformations, including biomass to chemicals conversion.

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