Upcoming Seminars

All seminars are held at 3:30 PM in the Mechanical Engineering Building (MEC) Room 205 unless otherwise noted.

2018

Aug
31

2018-19 Kick-off Seminar - TBA

2018-19 Kick-off Seminar - TBA

Professor Robert Garrod | UVA Department of Chemistry

Professor Eric Herbst
Professor Robert Garrod | UVA Department of Chemistry
Hosted by Professor Eric Herbst

Fall 2018

Sep
07

Reductive Carboxylation of Unsaturated Hydrocarbons with CO2

Reductive Carboxylation of Unsaturated Hydrocarbons with CO2

Professor Brian Popp | West Virginia University

Professor Mike Hilinski

ABSTRACT

Carbon dioxide is an attractive C1 synthon in chemical synthesis due to its abundance, obtainability, non-toxicity, and inherent renewability. However, it has been undervalued and underutilized for the synthetic installation of carboxyl functionality because of its unreactive nature, owing to its inherent thermodynamic stability and kinetic inertness. Traditionally the carboxyl group is accessed by organic chemists through redox manipulation and protection/deprotection reactions or through the use of strong nucleophiles that have limited functional group tolerance. By fixing carbon dioxide with unsaturated organic molecules through C–C bond formation, rapid and redox-economic synthesis of carboxylic acids and their derivatives can be realized. Nevertheless, these transformations remain rare, are poorly understood, and generally limited to more energetic alkyne substrates. The Popp Research Group uses methodological and mechanistic approaches to expand the versatility and usefulness of transition metal-catalyzed reductive olefin carboxylation. Two approaches that will be discussed in this seminar are transfer hydrometallation–carboxylation and hetero(element)carboxylation. Recent mechanistic work will be presented on an iron-catalyzed variant of the former reaction class that has revealed new details, and possibly new opportunities, for this poorly understood class of reaction. The latter manifold was only recently extended by our group to include olefins (vinyl arenes) for the first time (ACS Editors’ Choice–Org. Lett. 2016, 18, 6428). The mild method uses redox-neutral copper catalysis and a single atmosphere of CO2 to obtain boron-functionalized α-aryl carboxylic acids, including novel functionalized-NSAIDs such as bora-ibuprofen and bora-naproxen. Recent progress toward the preparation of new bora-olefin compounds, subsequent synthetic elaboration of the carbon-boron bond, and complementary experimental/computational studies to improve our mechanistic understanding of the reaction will also be presented.

Professor Brian Popp | West Virginia University
Hosted by Professor Mike Hilinski
Sep
13

Graham Lecture: Increasing Access to Global Healthcare: The Medicines for All Institute

Graham Lecture: Increasing Access to Global Healthcare: The Medicines for All Institute

Professor Frank Gupton | Virginia Commonwealth University

Professor Brooks Pate

Abstract:   Access to global public healthcare is impacted by many technical, economic, and social factors. It is widely recognized that the resources required to deliver and improve global public health are currently constrained.  A powerful way to increase access is to lower the cost of products and services that have already proven to be effective.  Currently, the cost of producing a wide range of pharmaceutical products is higher than it needs to be. The mission of Medicines for All (M4All) is to transform active pharmaceutical ingredient (API) processes in order to reduce medication cost and improve patient access.  To fulfill this objective, M4ALL has developed a set of core principles for API process development, which is derived from fundamental elements of process intensification that are commonly known but often neglected. These principles have been applied to several global health drugs yielding dramatic improvements in chemical efficiency. The development of novel heterogeneous cross-coupling that support this effort will also be presented.

Professor Frank Gupton | Virginia Commonwealth University
Hosted by Professor Brooks Pate
Sep
21

THIS DATE IS AVAILABLE

THIS DATE IS AVAILABLE

Sep
28

TBA

TBA

Professor Michael Leopold | University of Richmond

Professor Rebecca Pompano
Professor Michael Leopold | University of Richmond
Hosted by Professor Rebecca Pompano
Oct
12

Spontaneous Formation of Oligomers and Fibrils in Large Scale Molecular Dynamics Simulations of the Alzheimer’s Peptides

Spontaneous Formation of Oligomers and Fibrils in Large Scale Molecular Dynamics Simulations of the Alzheimer’s Peptides

Professor Carol Hall  | North Carolina State University

Professor Kateri DuBay

Spontaneous Formation of Oligomers and Fibrils in Large-Scale Molecular Dynamics Simulations of the Alzheimer’s Peptides

Protein aggregation is associated with serious and eventually-fatal neurodegenerative diseases including Alzheimer’s, Parkinson’s and the prion diseases.  While atomic resolution molecular dynamics simulations have been useful in this regard, they are limited to an examination of either oligomer formation by a small number of peptides or analysis of the stability of a moderate number of peptides placed in trial or known experimental structures. We describe large-scale molecular dynamics simulations of the spontaneous formation of fibrils by systems containing large numbers of peptides. The simulations are fast enough to enable us to follow the steps in the aggregation process from an initial configuration of random coils to oligomers and then to proto-filaments with cross-β structures. In simulations of Aβ17-42 peptides, we uncovered two fibrillization mechanisms that govern their structural conversion from disordered oligomers into protofilaments.  We also investigate the influence of crowding agents on oligomerization and fibrillization for Aβ16-22. Simulations are conducted which allow examination of the impact of naturally-derived inhibitors (resveratrol, curcumin, vanillin, and curcumin) on the oligomerization and fibrillation of A β17-36. Finally, we describe simulations of human, mouse and Syrian Movies of the aggregation process on a molecular level will be shown.

Professor Carol Hall  | North Carolina State University
Hosted by Professor Kateri DuBay
Oct
17

Jefferson Lecture (title TBA)

Jefferson Lecture (title TBA)

Professor David MacMillan | Princeton University

Graduate Student Council
Professor David MacMillan | Princeton University
Hosted by Graduate Student Council
Oct
19

Ireland Lecture (topic TBA)

Ireland Lecture (topic TBA)

Professor Huw Davies | Emory University

Professor Mike Hilinski
Professor Huw Davies | Emory University
Hosted by Professor Mike Hilinski
Oct
26

TBA

TBA

Professor Chuck Henry | Colorado State University

Professor Rebecca Pompano
Professor Chuck Henry | Colorado State University
Hosted by Professor Rebecca Pompano
Nov
02

New Chemical Probe Technologies: Applications to Imaging, Target Identification and Drug Discovery

New Chemical Probe Technologies: Applications to Imaging, Target Identification and Drug Discovery

Professor Matthew Bogyo | Stanford University

Professor Ken Hsu

Hydrolases are enzymes that often play important roles in many common human diseases such as cancer, asthma, arthritis, atherosclerosis and infection by pathogens. Therefore tools that can be used to dynamically monitor their activity can be used as diagnostic agents, as imaging contrast agents and for the identification of novel classes of drugs. In the first part of this presentation, I will describe our efforts to design and synthesize small molecule probes that produce a fluorescent signal upon binding to tumor associated protease targets. We have identified probes that show tumor-specific retention, fast activation kinetics, and rapid systemic distribution making them useful for real-time fluorescence guided tumor resection and other diagnostic imaging applications. In the second half of the talk, I will present our recent advances using chemical probes to identify novel protease and hydrolase targets in pathogenic bacteria. This work has led to new imaging agents for Mycobacterium tuberculosis and the identification of novel virulence factors in Staphylococcus aureus that have the potential to be targeted with small molecules as a therapeutic strategy.

Professor Matthew Bogyo | Stanford University
Hosted by Professor Ken Hsu
Nov
08

TBA

TBA

Professor Yinsheng Wang | University of California Riverside

Professor Huiwang Ai
Professor Yinsheng Wang | University of California Riverside
Hosted by Professor Huiwang Ai
Nov
09

Highly Sterically-Crowded Subvalent Group 14 Compounds: Unexpected Structures and High Reactivity with Small Molecules

Highly Sterically-Crowded Subvalent Group 14 Compounds: Unexpected Structures and High Reactivity with Small Molecules

Professor Philip Power | University of California at Davis

Professor Robert Gilliard

A series of new compounds, MAr2 (M = Ge, Sn, or Pb; Ar = terphenyl ligands) display structures and structural trends that are counter-intuitive with regard to steric effects. These trends are also reflected in their spectroscopic properties and in their reaction chemistry. It was found that the presence or absence of substituents at apparently-remote sites on the ligands can exert a large influence on the course of the reactions, as well as on the structural characteristics of the group 14 element environment. Their reactions with a range of olefins and carbon monoxide, which showed unexpected trends, will be shown. In addition, the reactions of the related subvalent hydrides, ArMH, with a range of olefins and alkyne molecules, as well as the unexpected compounds that are formed, will be presented. A notable feature of their behavior is their ability to induce unexpected isomerizations in the olefin substrates. Finally, it is proposed that many of the peculiar properties of the compounds is related to the presence of dispersion force interactions of their ligand substituents.

Professor Philip Power | University of California at Davis
Hosted by Professor Robert Gilliard
Nov
16

TBA

TBA

Professor Barbara Baird | Princeton University

Professor Andreas Gahlmann
Professor Barbara Baird | Princeton University
Hosted by Professor Andreas Gahlmann

Spring 2019

Jan
18

DATE AVAILABLE

DATE AVAILABLE

Jan
25

TBA

TBA

Professor Shannon Stahl | University of Wisconsin-Madison

Professor Charlie Machan
Professor Shannon Stahl | University of Wisconsin-Madison
Hosted by Professor Charlie Machan
Feb
01

Screening, Isolation, and Characterization of Antibiotic Natural Products

Screening, Isolation, and Characterization of Antibiotic Natural Products

Professor Amanda Wolfe | University of North Carolina Asheville

Professor Mike Hilinski

Abstract

The increased emergence of bacterial resistance over the past two decades has greatly reduced the effectiveness of nearly all clinical antibiotics, bringing infectious disease to the forefront as a dire threat to global health. To combat these infections, new antibiotics need to be rapidly discovered, and bacterial natural products have reemerged as an abundant source of novel bioactive molecules. Herein, the isolation and evaluation of over 400 bacteria from bulk and rhizosphere soil native to western North Carolina and the southwestern U.S. in a novel and robust liquid-based high-throughput antagonism assay against Staphylococcus aureus and Escherichia coli is presented. Over 300 bacterial species were screened in monoculture, and 12% and 15% were found to produce antibiotics capable of ≥30% growth inhibition of Staphylococcus aureus or Escherichia coli respectively. 69 of those bacteria were subjected to 16s rRNA sequencing and found to be majority Pseudomonas (30%) and Serratia (17%) bacteria, and Aquitalea, Brevundimonas, Chryseobacterium, Herbaspirillum, and Microbacterium bacteria, which are currently not known to be antibiotic producers. More than 10 producing bacteria have been subjected to large scale culture and extraction techniques to isolate the produced antibiotic. One of those, a Pseudomonas sp., was found to produce the natural product pseudopyronine B, and we have further improved the antibiotic activity of this natural product through SAR evaluation of the alkyl side chains.

Professor Amanda Wolfe | University of North Carolina Asheville
Hosted by Professor Mike Hilinski
Feb
15

TBA

TBA

Dr. Rick Olson | Bristol-Myers Squibb

Professor Ken Hsu
Dr. Rick Olson | Bristol-Myers Squibb
Hosted by Professor Ken Hsu
Feb
22

TBD

TBD

Professor Matt Lockett | UNC Chapel Hill

Professor Rebecca Pompano
Professor Matt Lockett | UNC Chapel Hill
Hosted by Professor Rebecca Pompano
Mar
29

TBA

TBA

Professor Dale Boger | Scripps Research Institute; San Diego, CA

Professor Sid Hecht
Professor Dale Boger | Scripps Research Institute; San Diego, CA
Hosted by Professor Sid Hecht
Apr
05

TBD

TBD

Dr. Glen Alliger | ExxonMobil

Professor Charlie Machan
Dr. Glen Alliger | ExxonMobil
Hosted by Professor Charlie Machan
Apr
12

ACS Poster Session

ACS Poster Session

Apr
19

TBA

TBA

Professor Héctor D. Abruña | Cornell University

Professor Sen Zhang
Professor Héctor D. Abruña | Cornell University
Hosted by Professor Sen Zhang
Apr
26

TBA

TBA

Professor Jill Millstone | University of Pittsburgh

Professor Charlie Machan
Professor Jill Millstone | University of Pittsburgh
Hosted by Professor Charlie Machan