Past Seminars & Events

Professor Alex Jordan

Professor Alex Jordan
Department of Engineering
University of Wisconsin-Stout
Flyer

Rheological Measurements and Modelling in Polymer Processing

The world of polymer processing lies at the intersection of materials science, transport phenomena, fluid mechanics, controls, and economics. The undergraduate American university education model teaches these topics as “stand alone” courses, often disconnected from one another due to time and logistical constraints. At the post-graduate level, students are trained to develop a hypothesis, formulate a set of experiments, master experimental techniques, and perform statistical analysis to draw conclusions about their original hypothesis; resulting in a world-class knowledge in a singular topic. We will use three vignettes, each centered on a different processing technique, to demonstrate how you can implement your university training to contribute to the industrial polymer processing world.

Alex Jordan

Alex Jordan received his Ph.D. in Macromolecular Science and Engineering at Case Western Reserve University in 2016. While working for Prof. LaShanda Korley he utilized multilayer coextrusion as a technology to create non-woven fiber structures and an in situ method to fabricate fiber reinforced hydrogel structures. After defending his dissertation, he began work as a postdoctoral fellow at the University of Minnesota with Profs. Chris Macosko and Frank Bates studying interfacial phenomena in polyolefin blends and multilayer films. He moved to the University of Wisconsin – Stout as an Assistant Professor of plastics engineering in 2018. As a professor at a primarily undergraduate institution (PUI), he teaches foundational courses in polymer materials science and processing as well as upper level specialty courses in extrusion, thermoforming, and blow molding. He maintains his research interest in polymer rheology and processing through industrially sponsored projects and by mentoring senior undergraduate students during their year-long capstone experience.

Dr. Yinan Shu

Dr. Yinan Shu

Department of Chemistry

University of Minnesota

Abstract

Photochemistry: Advancing our understanding of molecules and materials upon electronic excitations

Understanding the complex photochemical behaviors of molecules and materials is essential, not only for fundamental interests in controlling the chemical reactions, but also numerous practical applications such as optoelectronic materials and quantum materials. The process of matter-light interaction is highly non-equilibrium and ultrafast, making it difficult to directly monitor these processes experimentally. Therefore, computer simulation plays a critical role in understanding the behaviors of molecules and materials upon excitations. Revealing the photochemical and photophysical processes from an atom-by-atom perspective will help us design the next generation of optoelectronic materials. And ultimately achieve our goals, such as controlling chemical reactions and designing highly cost-effective solar materials. In this talk, I will introduce you a hierarchy of electronic structure theories and nuclear dynamics algorithms that we have developed over the years. These methods go beyond the state-of-the-art, and therefore can simulate photochemical processes more efficiently and accurately. Additionally, I will highlight some of the successful applications of our methods, ranging from optoelectronic materials to molecular photochemical reactions.

Yinan Shu

Yinan Shu is currently a research associate in Prof. Donald G. Truhlar’s group at University of Minnesota. Prior to working with Prof. Truhlar, he was a Ph.D. candidate in Prof. Benjamin G. Levine’s group at Michigan State University. His research focuses on various topics within theoretical and computational chemistry, including electronic structure theory, nonadiabatic dynamics, material science, chemical reactions, and machine learning. He has received 2020 ACS Phys Young Investigator Award (ACS Division of Physical Chemistry), 2020 Robin Hochstrasser Young Investigator Award (Chemical Physics, Elsevier), and 2021 Spring Wiley Computers in Chemistry Outstanding Postdoc Award (ACS Division of Computers in Chemistry).

Jeannette Brown Lectureship Student Flash Talks

Graduate students and postdoctoral associates will present 15 minute presentations on an area of their research. Click on the event to see the full flash talk schedule.

Dr. Niki Patel

Dr. Niki Patel

Associate Principal Scientist, Process Research and Development

Merck & Co.

Abstract

A Collaborative Total Synthesis of Darobactin A

Antibiotics with novel mechanisms are needed to address the growing problem of resistance. Only a few classes of antibiotics show activity against gram-negative bacteria, which contain an outer membrane that restricts unwanted compounds. Darobactin A is a recently discovered, ribosomally synthesized macrocyclic peptide natural product isolated from Photorhabdus that exhibits gram- negative antibiotic activity. Given the noteworthy structure of this macrocyclic peptide, we were interested in conducting a study into the synthesis of this molecule; however, unlike other cyclic peptide natural products, darobactin A contains an elaborate and strained bicyclic architecture, making it challenging to access. As a result, our highly collaborative team from Merck and the Sarlah lab at the University of Illinois Urbana-Champaign have completed the total synthesis of this complex molecule utilizing an innovative synthetic strategy, leveraged a halogen-selective Larock protocol that and was useful in generating milligram quantities of darobactin A.

Niki Patel

Niki Patel grew up in Philadelphia, PA. She conducted her undergraduate studies at Temple University, earning a B.S. in Chemistry in 2010. Following graduation, she went on to perform her doctoral studies under the supervision of Professor Robert Flowers at Lehigh University. In 2015, Niki moved to the University of Pennsylvania as a postdoctoral researcher in the laboratory of Professor Gary Molander. Niki has been with Merck for 6 years with roles in Process Chemistry and Discovery Process Chemistry.

Professor Squire Booker

Professor Squire Booker

Evan Pugh Professor of Chemistry and Molecular Biology

Eberly Family Distinguished Chair in Science

The Pennsylvania State University

Abstract

A Radical Solution for C(sp3)–C(sp3) Bond Formation during the Biosynthesis of Macrocyclic Membrane Lipids

Archaea synthesize isoprenoid-based ether-linked membrane lipids, which enable them to withstand extreme environmental conditions, such as high temperatures, high salinity, and low or high pH values. In some archaea, such as Methanocaldococcus jannaschii, these lipids are further modified by forming carbon–carbon bonds between the termini of two lipid tails within one glycerophospholipid to generate the macrocyclic archaeol or forming two carbon–carbon bonds between the termini of two lipid tails from two glycerophospholipids to generate the macrocycle glycerol dibiphytanyl glycerol tetraether (GDGT). GDGT contains two 40-carbon lipid chains (biphytanyl chains) that span both leaflets of the membrane, providing enhanced stability to extreme conditions. How these specialized lipids are formed has puzzled scientists for decades. The reaction necessitates coupling two completely inert sp3-hybridized carbon centers, which has not been observed in nature. Here we use X-ray crystallography, high-resolution mass spectrometry, chemical synthesis, and biochemical analyses to show that the gene product of mj0619 from M. jannaschii, which encodes a radical S-adenosylmethionine enzyme, is responsible for biphytanyl chain formation during synthesis of both the macrocyclic archaeol and GDGT membrane lipids.

Squire Booker

Professor Squire J. Booker is an Evan Pugh Professor of Chemistry and Molecular Biology, and the Eberly Family Distinguished Chair in Science at Pennsylvania State University. He is also an investigator of the Howard Hughes Medical Institute. He received a B.A. degree in chemistry from Austin College in 1987 and a Ph.D. in biochemistry from the Massachusetts Institute of Technology in 1994, where he was supervised by Prof. JoAnne Stubbe. He received and NSF-NATO postdoctoral fellowship to study at the Université René Descartes in Paris, France under the supervision of Dr. Daniel Mansuy, and then an NIH postdoctoral fellowship to study at the Institute for Enzyme Research at the University of Wisconsin under the supervision of Prof. Perry Frey. He joined the faculty at Penn State in 1999, and was promoted to Associate Professor in 2005, Professor in 2013, Eberly Family Distinguished Chair in Science in 2017, and Evan Pugh Professor in 2018.  Booker’s research focuses on the enzymology of natural product biosynthesis, with a particular interest in the methylation or sulfidation of unactivated carbon centers, and the use of S-adenosylmethionine and iron-sulfur clusters in enzyme catalysis.

Dr. John Gleeson

 Dr. John Gleason

Senior Scientist, Biopharmaceutics, Pharmaceutical Sciences and Clinical Supply

Merck & Co.

Abstract

Body diversity in STEM - Talking about the fat elephant in the room

TED-style talks within Merck’s Development Sciences and Clinical Supplies (DSCS) organization have enabled diverse cohorts of colleagues to share their personal stories and perspectives. They represent one of the three key pillars we have identified to develop a sustainable Diversity, Equity, and Inclusion culture in DSCS, that is: Retain and foster an inclusive workforce through building a growth mindset at all levels of the organization. Dr. Gleeson’s TED-style talk “Body diversity in STEM - Talking about the fat elephant in the room” discusses his journey in academia and industry as a scientist who doesn’t fit the preconceived notion of a professional scientist. During this session the goal is to step into discomfort and address the unconscious biases present in STEM to allow us to build more diverse and inclusive teams where belonging is the foundation.

Dr. John Gleeson

Dr. John Gleeson is a Senior Scientist in Biopharmaceutics at Merck & Co., Inc., where he supports the development of oral drug formulations and leads research in predictive in vitro intestinal absorption models. Dr. Gleeson earned his PhD from University College Dublin under Prof David Brayden in Pharmaceutics and carried out Postdoctoral research at Cedars-Sinai Medical Center, and Carnegie Mellon University under Prof Kathryn Whitehead. Dr. Gleeson has authored/co-authored 20 research articles, and co-leads the Inclusion team in Pharmaceutical Sciences and Clinical Supply at Merck.

Professor Squire Booker

Professor Squire Booker

Evan Pugh Professor of Chemistry and Molecular Biology

Eberly Family Distinguished Chair in Science

The Pennsylvania State University

Abstract

Mentoring Matters: An Unexpected Journey Launched in Southeast Texas

The percentage of underrepresented professors of color in STEM disciplines, particularly African Americans, remains abysmally low. This lecture will focus on my career trajectory from growing up in Beaumont, TX, to becoming the first Black professor in the chemistry department at The Pennsylvania State University. I will discuss how mentoring and seizing opportunities were crucial to my success. Moreover, I will discuss diversity-related work, how metals, radicals, and enzymes shaped my love for science, and how new initiatives are leading to positive changes in hiring diverse STEM faculty and mentoring the next generation.

Squire Booker

Professor Squire J. Booker is an Evan Pugh Professor of Chemistry and Molecular Biology, and the Eberly Family Distinguished Chair in Science at Pennsylvania State University. He is also an investigator of the Howard Hughes Medical Institute. He received a B.A. degree in chemistry from Austin College in 1987 and a Ph.D. in biochemistry from the Massachusetts Institute of Technology in 1994, where he was supervised by Prof. JoAnne Stubbe. He received and NSF-NATO postdoctoral fellowship to study at the Université René Descartes in Paris, France under the supervision of Dr. Daniel Mansuy, and then an NIH postdoctoral fellowship to study at the Institute for Enzyme Research at the University of Wisconsin under the supervision of Prof. Perry Frey. He joined the faculty at Penn State in 1999, and was promoted to Associate Professor in 2005, Professor in 2013, Eberly Family Distinguished Chair in Science in 2017, and Evan Pugh Professor in 2018.  Booker’s research focuses on the enzymology of natural product biosynthesis, with a particular interest in the methylation or sulfidation of unactivated carbon centers, and the use of S-adenosylmethionine and iron-sulfur clusters in enzyme catalysis.

2023 Jeannette Brown Lectureship

The Department of Chemistry celebrates the third annual Jeannette Brown Lectureship, co-sponsored by Merck & Co., Inc.

See the full event schedule here.

Professor Todd J. Martínez

Professor Todd J. Martínez

Department of Chemistry and The PULSE Institute

Stanford University

Abstract

Discovering Chemistry and Photochemistry From First Principles Molecular Dynamics

Novel computational architectures and methodologies are revolutionizing diverse areas ranging from video gaming to advertising and espionage. In this talk, I will discuss how these tools and ideas can be exploited in the context of theoretical and computational chemistry. I will discuss how insights gleaned from recommendation systems (such as those used by Netflix and Amazon) can lead to reduced scaling methods for electronic structure (solving the electronic Schrodinger equation to describe molecules) and how the algorithms in electronic structure can be adapted for commodity stream processing architectures such as graphical processing units. I will show how these advances can be harnessed to progress from traditional “hypothesis-driven” methods for using electronic structure and first principles molecular dynamics to a “discovery-driven” mode where the computer is tasked with discovering chemical reaction networks. Finally, I will show how these can be combined with force-feedback (haptic) input devices and three-dimensional visualization to create molecular model kits that carry complete information about the underlying electrons. This interactive first principles molecular dynamics method (molecular computer-aided design or mCAD) opens the door to novel ways of teaching chemistry and may also be of use in applied chemical research.

Todd J. Martínez

Todd Martínez received his B. S. in Chemistry from Calvin College in 1989 and his Ph.D. in Chemistry from the University of California at Los Angeles in 1994. From 1994 to 1996, he was a Fulbright Junior Postdoctoral Researcher at Hebrew University in Jerusalem and a University of California President’s Postdoctoral Fellow at UCLA. In 1996, he joined the faculty in the Department of Chemistry at the University of Illinois. He rose through the ranks to become the Gutgsell Chair in Chemistry. In 2009, he was recruited to join the faculty at Stanford University and the SLAC National Accelerator Laboratory, where he is currently David Mulvane Ehrsam and Edward Curtis Franklin Professor.

Professor Martínez’ research lies in the area of theoretical chemistry, emphasizing the development and application of new methods which accurately and efficiently capture quantum mechanical effects of both electrons and nuclei. He pioneered the use of commodity videogame technology for computational chemistry and ab initio molecular dynamics. He has also developed new conceptual frameworks for understanding chemical reactivity induced by external force, i.e. “mechanochemistry.”

Professor Martínez has received fellowships and/or awards from the Camille and Henry Dreyfus Foundation, the Alfred P. Sloan Foundation, the Arnold and Mabel Beckman Foundation, the David and Lucille Packard Foundation, and the John D. and Catherine T. MacArthur Foundation. Professor Martínez is an elected fellow of the American Physical Society, the American Association for the Advancement of Science, the American Academy of Arts and Sciences, the International Academy of Quantum Molecular Science and the National Academy of Sciences.

Professor Kenneth Hanson

Professor Kenneth Hanson

Department of Chemistry & Biochemistry

Florida State University

Abstract

Harnessing Molecular Photon Upconversion Using Self-Assembled Multilayers on Metal Oxide Surfaces

Photon upconversion—combining two or more low energy photons to generate a higher energy excited state—is an intriguing strategy for increasing the maximum theoretical solar cell efficiencies from 33% to greater than 43%. In this presentation we will recount our work using self-assembled multilayers of sensitizer and acceptor molecules on nanocrystalline metal oxide films as a unique structural motif for facilitating molecular photon upconversion via triplet-triplet annihilation (TTA-UC) and directly extracting charge from the upconverted state. Under light intensities as low as ambient solar flux we demonstrate a more than four-fold increase in the short circuit current relative to the sum of the sensitizer and acceptor monolayer devices. We will discuss the dynamics events during TTA-UC, limitations of the current film, and the role of interfacial structure in dictating the performance.

Kenneth Hanson

Kenneth Hanson received a B.S. in Chemistry from Saint Cloud State University (2005), his Ph.D. from the University of Southern California (2010), followed by an appointment as a postdoctoral scholar at the University of North Carolina at Chapel Hill (2010–2013). His independent research career began in 2013 at Florida State University as a member of the Department of Chemistry & Biochemistry and is affiliated with the Materials Science & Engineering program. His current research interests include the design, synthesis, and characterization of photoactive molecules/materials with particular emphasis on manipulating energy and electron-transfer dynamics at organic–inorganic interfaces using multilayer self- assembly.