Bioorganic and Synthetic Organic Chemistry

The unifying theme of my research program is the application of organic chemical theory and technique to the investigation of problems in biology. Our longstanding interest has been in elucidating the molecular interactions and mechanisms of small molecule-protein interactions. Such interactions are fundamental to physiology, pharmacology, and toxicology and understanding these processes in molecular terms is essential for predicting modes of metabolism and developing new drugs. Our efforts are currently directed at several rather broad areas: elucidation of the molecular pharmacology of ligand-receptor interactions; identification of the molecular processes underlying idiosyncratic drug reactions; determination of the chemical mechanisms of the oxidative transformation of foreign and endogenous compounds by monooxygenase and dioxygenase enzymes; and characterization of the molecular mechanisms underlying the neurotoxicity of small molecules, metal ions, and reactive oxygen species.

Current studies of ligand-receptor interactions include the lysophospholipid signaling system, the colchicinoid site on tubulin, and the ternary drug-DNA-topoisomerase II complex responsible for the cytotoxicity of this class of anticancer agents. Lipid phosphoric acid mediators, such as lysophosphatidic acid and sphingosine-1-phosphate, have a range of biological properties mediated through at least eight G-protein coupled receptors of the EDG family. The cellular biology of these receptors and the physiological mechanisms controlling the processing of the lysophospholipids is beginning to emerge. We are undertaking a set of investigations directed at elucidating the molecular pharmacology of this receptor family and at utilizing this knowledge to target the modulation of lysophospholipid signaling to treat human disease. Specifically, our studies of the lysophospholipid autocoids have been directed at identifying the molecular determinants of the lipid mediator and the receptor that have been proposed to be critical to activity and at developing receptor selective agents for the EDG receptors.

We also have a long-standing interest in understanding ligand-receptor interactions which form ternary DNA-drug complexes with a DNA processing enzyme, and a small molecular ligand. Such complexes are a common theme for a diverse variety of “effectors” of cellular function, including hormone regulators of cellular transcription and translation, and of many antineoplastic agents. We have been examining the interaction of the representative antitumor agent, etoposide, which forms a ternary DNA-drug complexes with DNA topoisomerase I. Another area of research involves elucidation of the molecular mechanism through which colchicine interacts with its target, tubulin. These programs have fully integrated synthetic studies of rationally designed molecules and mechanistic studies of the processes through which these agents interact with their targets. Our studies will advance the knowledge of antitumor drug development for these classes of agents and culminate in the design and synthesis of fundamentally new structural classes of inhibitors of these critical anticancer targets.

An additional area of research is the molecular and cellular mechanisms by which idiosyncratic drug reactions occur. These reactions are the source of a range of toxic reactions to therapeutic agents and are thought to be mediated through the confluence of risk factors associated with drug bioactivation to reactive species, the formation of specific protein antigens and subsequent immune response. A knowledge of the chemical and immunological basis for idiosyncratic reactions would enable a protocol for prospectively identifying individual patient risk or susceptibility to particular agents or drug classes. We have previously investigated the mechanism of blepharoconjunctivitis and dermatitis associated with the use of the antiglaucoma drug, apraclonidine. Our current focus is on the mechanism underlying the aplastic anemia associated with the use of the anti-epileptic agent, felbamate.

Our research is additionally exploring the mechanistic and etiologic relationships between neurotoxicity and aberrant CNS processing of foreign and endogenous agents. The brain is the site of multiple, chronically progressive and clinically devastating diseases in which specific neuronal populations undergo neurodegeneration. An environmental contribution has been implicated in the etiology of many of these diseases, including Parkinson’s disease, motoneuron disease, and Alzheimer’s disease. In one avenue of study, we are examining the potential for the formation of endogenous or exogenous toxins by oxidative enzymes that have been localized to particular neuronal populations, such as the cytochromes P450 and their associated reductases. Through these studies, we hope to ascertain whether this enzyme class represents a primary basis for the etiology or treatment of these neurodegenerative diseases.

Recent Publications

A model for the regulation of T-type Ca(2+) channels in proliferation: roles in stem cells and cancer. Gray LS, Schiff D, Macdonald TL. Expert Rev Anticancer Ther. 13:589-95 (2013).

Cost-effective and Large-scale synthesis of 16:0 Lysophosphatidic Acid. East JE, Macdonald TL. Synth Commun. 42:3614-3618 (2012).

Amixicile, a novel inhibitor of pyruvate: ferredoxin oxidoreductase, shows efficacy against Clostridium difficile in a mouse infection model. Warren CA, van Opstal E, Ballard TE, Kennedy A, Wang X, Riggins M, Olekhnovich I, Warthan M, Kolling GL, Guerrant RL, Macdonald TL, Hoffman PS. Antimicrob Agents Chemother. 56:4103-11 (2012).

Development of a phosphatase-resistant, L-tyrosine derived LPA1/LPA3 dual antagonist. East JE, Carter KM, Kennedy PC, Schulte NA, Toews ML, Lynch KR, Macdonald TL. Medchemcomm. 2:325-330 (2011).

Sphingosine kinase type 1 inhibition reveals rapid turnover of circulating sphingosine 1-phosphate. Kharel Y, Mathews TP, Gellett AM, Tomsig JL, Kennedy PC, Moyer ML, Macdonald TL, Lynch KR. Biochem J. 440:345-53 (2011).

See more (PubMed)…
See more (Google Scholar)…

Structure and Dynamics in Supercritical Fluids

Supercritical fluids (SCFs) are currently receiving much industrial and scientific interest as a result of their unique physical properties. The most characteristic features of SCFs are liquid-like densities, gas-like viscosities, and diffusivities that are intermediate between typical gas and liquid values. The resulting combination of high dissolving power and enhanced mass-transfer rates makes SCFs attractive alternatives to liquid solvents for a variety of industrial applications, such as extraction, separation and reaction processes. In addition, the high compressibility of SCFs in the near-critical region allows one to tune their properties to desired values by applying small changes in pressure, which in turn makes it possible to tailor the rates and selectivities of chemical processes. Since the aforementioned applications of SCFs generally involve dilute solutions, it is essential to develop a microscopic understanding of the structure and dynamics of a supercritical solvent in the vicinity of a solute.

We use the methods of classical statistical mechanics, such as integral equation theory and mode coupling theory, to study structural and dynamical properties of supercritical solutions. Some of the problems we address are as follows. How does the solvent-solute and solute-solute clustering affect the rates and equilibrium constants of chemical reactions in SCFs? How does the proximity to the critical point affect the transport properties and what are the ramifications for diffusion controlled chemical reactions? How is preferential solvation manifested in local composition effects in dilute supercritical solutions? The answers to these questions should help us shed further light on fundamental properties of SCFs and their practical applications.

Quantum and Semiclassical Many-Body Dynamics

Numerous problems in chemical physics involve calculations of quantum time correlation functions (TCFs) in many-body systems. Particular examples include: medium-induced electron transfer, dissipative tunneling, radiationless processes, and electronic spectroscopy of chromophores in crystals and in liquids. While certain systems require a fully quantum mechanical treatment, there exists a large class of systems of chemical interest for which classical mechanics provides a reasonably good approximation. An appealing approach to the calculation of TCFs for such systems involves using semiclassical methods, which are generally based on the assumption that quantum effects can be taken into account by introducing relatively small corrections to the classical results. However, the shorter the time scale on which the behavior is analyzed, the more important quantum corrections may become, even for systems which are classical as far as their static and low-frequency dynamical properties are concerned. One of the research projects in our group involves developing a systematic procedure for including quantum effects into the results for TCFs obtained from classical simulations.

An alternative approach to study quantum dynamics in condensed phases involves calculating imaginary-time correlation functions using path integral Monte Carlo (PIMC) method and performing analytic continuation to the real-time axis. Unfortunately, analytic continuation is numerically unstable, and therefore leads to uncontrollable amplification of statistical noise unavoidable in PIMC simulations. In our group we employ the information theory and the methodology from the field of inverse problems in order to develop various techniques, such as Maximum Entropy and Singular Value Decomposition, for stabilizing the procedure of analytic continuation of quantum imaginary-time TCFs.

Recent Publications

S. N. Merz, Z. J. Farrell, J. Pearring, E. Hoover, M. Kester, S. A. Egorov, D. L. Green, and K. H. DuBay, "Computational and Experimental Investigation of Janus-like Monolayers on Ultrasmall Noble Metal Nanoparticles", ACS Nano, 12, p. 11031-11040, (2018).

 A. Milchev, S. A. Egorov, A. Nikoubashman, and K. Binder, "Nematic order in solutions of semiflexible polymers: Hairpins, elastic constants, and the nematic-smectic transition", J. Chem. Phys., 149, p. 174909, (2018).

K. E. Klop, R. P. A. Dullens, M. P. Lettinga, S. A. Egorov, and D. G. A. L. Aarts, "Capillary nematisation of colloidal rods in connement", Mol. Phys., 116, p. 2864-2871, (2018).

R. J. Chen, R. Poling-Skutvik, M. P. Howard, A. Nikoubashman, S. A. Egorov, J. C. Conrad, and J. C. Palmer, "Influence of polymer flexibility on nanoparticle dynamics in semidilute solutions", Soft Matter, 15, p. 1260-1268, (2019).

S. J. Wang, D. Venkateshvaran, M. R. Mahani, U. Chopra, E. R. Mc-Nellis, R. Di Pietro, S. Schott, A. Wittmann, G. Schweicher, M. Cubukcu, K. Kang, R. Carey, T. J. Wagner, J. N. M. Siebrecht, D. P. G. H. Wong, I. E. Jacobs, R. O. Aboljadayel, A. Ionescus, S. A. Egorov, S. Mueller, O. Zadvorna, P. Skalski, C. Jellett, M. Little, A. Marks, I. McCulloch, J. Wunderlich, J. Sinova, H. Sirringhaus, "Long spin diffusion lengths in doped conjugated polymers due to enhanced exchange coupling", Nature Electronics, 2, p. 98-107, (2019).

J. Midya, Y. Cang, S. A. Egorov, K. Matyjaszewski, M. R. Bockstaller, A. Nikoubashman, and G. Fytas, "Disentangling the Role of Chain Conformation on the Mechanics of Polymer Tethered Particle Materials", Nano Letters, 19, p. 2715-2722, (2019).

S. N. Merz, E. Hoover, S. A. Egorov, K. H. DuBay, and D. L. Green, "Predicting the effect of chain-length mismatch on phase separation in noble metal nanoparticle monolayers with chemically mismatched ligands", Soft Matter, 15, p. 4498-4507 (2019).

J. Midya, S. A. Egorov, K. Binder, and A. Nikoubashman, "Phase behavior of exible and semi exible polymers in solvents of varying quality", J. Chem. Phys., 151, p. 034902 (2019).

U. Chopra, S. A. Egorov, J. Sinova, and E. R. McNellis, "Chemical and structural trends in the spin-admixture parameter of organic semiconductor molecules", J. Phys. Chem. C, 123, p. 19112-19118 (2019).

U. Chopra, S. Shambhawi, S. A. Egorov, J. Sinova, and E. R. McNellis, "Accurate and general formalism for spin-mixing parameter calculations", Phys. Rev. B, 100, p. 134410 (2019).

See more (PubMed)…

See more (Google Scholar)…

Publication list

Photochemistry and Photophysics of Transition Metal Complexes

Professor Demas is not currently accepting graduate students.

Molecules excited by light lose energy by emission of light, transfer of energy or an electron to other molecules, photochemistry, and non-destructive radiationless processes. Solar energy conversion, chemical analysis, and light intensity measurements require information from the study of these processes. The processes can be highly sensitive to environmental factors such as solvent and interactions with organized media such as micelles, cyclodextrins, membranes, proteins, and DNAs. In addition, luminescence properties are very sensitive to the environment in polymer-supported sensors. We are elucidating the nature of these processes, correlating properties with molecular structure and environment, and developing new chemical, instrumental, and mathematical tools for studying these processes.

Our work includes:

• Design, synthesis and characterization of highly luminescent Os, Ir, Re, and Ru complexes.
• Evaluating photochemical properties, excited state ordering, and paths of energy loss.
• Fundamental and applied studies of interactions of photosensitizers with polymers, micelles, membranes and other organized media.
• Developing new luminescence-based sensors (e.g., oxygen, pH, metal ion).
• Design and utilization of metal complexes as probes of the structure and dynamics of organized media such as DNAs and membranes.
• Instrumental and theoretical developments in ultrasensitive, multicomponent fluorometric analyses.

An example of an analytical sensor is shown in the figure.

The photoluminescence of a tris(4,7-diphenyl-1,10-phenanthroline)ruthenium (II) complex in a polymer film is shown while the film is being breathed over. The luminescence is quite sensitive to deactivation by oxygen, and the luminescence intensity is a direct measure of the oxygen in the subject’s breath. Less oxygen yields more luminescence. The region immediately after the subject held his breath is revealing.

Recent Publications

Aromatic difluoroboron β-diketonate complexes: effects of π-conjugation and media on optical properties. Xu S, Evans RE, Liu T, Zhang G, Demas JN, Trindle CO, Fraser CL. Inorg Chem. 52:3597-610 (2013).

Viscosity and temperature effects on the rate of oxygen quenching of tris-(2,2′-bipyridine)ruthenium(II). Reynolds EW, Demas JN, DeGraff BA. J Fluoresc. 23:237-41 (2013).

Environmental sensitivity of Ru(II) complexes: the role of the accessory ligands. Dixon EN, Snow MZ, Bon JL, Whitehurst AM, DeGraff BA, Trindle C, Demas JN. Inorg Chem. 51:3355-65 (2012).

Photophysical and analyte sensing properties of cyclometalated Ir(III) complexes. Leavens BB, Trindle CO, Sabat M, Altun Z, Demas JN, DeGraff BA. J Fluoresc. 22:163-74 (2012).

Laser phosphoroscope and applications to room-temperature phosphorescence. Payne SJ, Zhang G, Demas JN, Fraser CL, Degraff BA. Appl Spectrosc. 65:1321-4 (2011).

See more (PubMed)…

See more (Google Scholar)…

Difluoroboron dibenzoylmethane-poly(lactic acid) analogues exhibit both intense fluorescence and long-lived room temperature phosphorescence. When fabricated as nanoparticles, these simple, dual-emissive biomaterials serve as optical oxygen probes for biology and medicine, with impressive combined spatial and temporal resolution. Along with fundamental studies, the materials have been optimized with respect to fluorescence and phosphorescence emission colors, relative intensities, luminescence lifetimes, oxygen sensitivities, and fabrication. With collaborators, we developed a portable, cost-effective, laptop camera imaging system that, in conjunction with boron nanosensors, allows for dynamic, real-time, single or dual mode (ratiometric and/or lifetime) tissue oxygen imaging. We have demonstrated the utility of these materials for in vitro and in vivo optical oxygen imaging in cell, tumor, wound, vascular, brain, immunological, tissue engineering, and other contexts.

Mechanochromic Luminescence and Other Stimuli Responsive and Environment Sensitive Properties

Difluoroboron β-diketonate dyes also show surprising properties as molecular solids. For example, we showed that the difluoroboron complex of avobenzone, a simple sunscreen ingredient, has narrow bandwidth green, cyan, or blue emission depending on the solid form. Furthermore, the emission color changes when crystals are crushed or films are scratched or rubbed. Surprisingly, for thin films, the mechanochromic luminescence is reversible. For the avobenzone complex, regions where force is applied turn yellow but return to the original green-blue background color within minutes at room temperature or seconds with heating. The writing-fading process may be repeated many times. Emission colors, force responsiveness, and self-healing times may be tuned through molecular design, and self-erasing properties may be monitored with video camera imaging. These simple Scratch the Surface InksTM show promise as mechanical sensors and renewable inks for rewritable surfaces. They have even inspired creative works in music, art, and design. Other interesting properties of boron dyes, and in some cases even β-diketones absent difluoroboron, include solvatochromism, viscochromism, halochromism, aggregation induced emission, dye thickness and loading effects, and energy transfer in dye mixtures. Interestingly, some dyes are also thermally responsive and form supercooled liquids. Synthesizing new dyes, exploring their many fascinating properties, and tailoring materials for imaging and sensing in biology, medicine, and other contexts serves as the focus of our research.

Integrative Interdisciplinary Projects

Professor Fraser also has a great passion for envisioning and leading innovative interdisciplinary programs that integrate teaching, research, community engagement and creative pursuits. These projects are often inspired by materials, and environmental health and sustainability themes. They build bridges across STEM and non-STEM disciplines and engage students, faculty, and the community with thought leaders from across UVA and the globe. Examples include the UVA Page Barbour supported Transduction and Plastic/ity projects, the Carnegie Corporation funded Designing Matter Common Course, the NIH Global Health funded Metals in Medicine and the Environment, the Biomaterials Workshop, the Echols seminar Color: Across the Spectrum, and the Science, Careers and Society Forum. Professor Fraser often collaborates with artists and designers on exhibitions and performances (e.g. Chromogenic Materials, Agents of Architecture, UVA Music Technosonics Festival, UVA Art Bestiary Exchange Portfolio, Environmental Art Activism, and Time books). She also engages in design projects to establish new kinds of venues for conducting and displaying interdisciplinary work (e.g. WallSpace, Real World Chemistry Lab). New research is concerned with Anthrochemistry—chemistry of the Anthropocene, investigating the human impacts of chemistry through element, molecule, and material case studies via an interdisciplinary global systems chemistry approach. Of particular interest are ways that materials, their pathways, and processes, are mapped onto and into our bodies and intersect with our everyday lives, affecting health and wellbeing. Laws, policies, social and environmental justice, and ethics and responsibility are also considered. Creative interdisciplinary ways of communicating findings to both university and broader audiences are also of interest.

Selected Publications

Luminescent Difluoroboron β-Diketonate PLA-PEG Nanoparticles.  Kerr, C.; DeRosa, C. A.; Daly, M. L.; Zhang, H.; Palmer, G. M.; Fraser, C. L. Biomacromolecules 2017, 18, 551-561.

Oxygen Sensing Difluoroboron β-Diketonate Polylactide Materials with Tunable Dynamic Ranges for Wound Imaging.  DeRosa, C. A.; Seaman, S. A.; Mathew, A. S.; Gorick, C. M.; Fan, Z.; Demas, J. N.; Peirce, S. M.; Fraser, C. L. ACS Sensors 2016, 1, 1366-1373.

Mechanochromic Luminescence and Aggregation Induced Emission of Dinaphthoylmethane β-Diketones and their Boronated Counterparts.  Butler, T.; Morris, W. A.; Samonina-Kosicka, J.; Fraser, C. L. ACS Appl. Mater. Interfaces 2016, 8, 1242-1251.

Polymorphism and Reversible Mechanochromic Luminescence for Solid-State Difluoroboron Avobenzone.  Zhang, G.; Lu, J.; Sabat, M.; Fraser, C. L. J. Am. Chem. Soc. 2010, 132, 2160-2010.

A Dual-Emissive Materials Design Concept Enables Tumour Hypoxia Imaging.  Zhang, G.; Palmer, G. M.; Dewhirst, M. W.; Fraser, C. L. Nat. Mater. 2009, 8, 747-751.

Multi-Emissive Difluoroboron Dibenzoylmethane Polylactide Exhibiting Intense Fluorescence and Oxygen-Sensitive Room-Temperature Phosphorescence.  Zhang, G.; Chen, J.; Payne, S. J.; Kooi, S. E.; Demas, J. N.; Fraser, C. L. J. Am. Chem. Soc. 2007, 129, 8942-8943.

See more at Google Scholar: https://scholar.google.com/citations?user=gUlmJ6UAAAAJ&hl=en

See more (PubMed)…

Astrochemistry concerns the behavior of atoms and molecules in astrophysical environments, which can include star-forming clouds and cores, and circumstellar and interstellar regions, and the solar system. The varied gas-phase chemical compositions of interstellar environments are revealed by radio-telescope observations of molecular spectral-line emission and absorption in the cm, mm and sub-mm bands. Infrared observations also indicate significant solid-phase abundances of simple hydrides, in the form of ices, which coat the sub-micron sized dust grains that permeate interstellar space. The process of star formation – which involves the heating and UV radiative processing of gas and solid-phase material alike – further encourages the production of complex organic molecules that may contribute to the store of pre-biotic material ultimately available on the surfaces of new planetary bodies.

The Garrod group develops and applies new computational techniques to the study of chemical kinetics in interstellar, star-forming, solar-system environments. A particular focus of the group is the formation and processing of simple and complex organic molecules on dust-grain surfaces and within astrophysical molecular ices. Recent new modeling efforts also include the first chemical kinetics models of solid-phase chemistry in comets.

Recent publications:
 

Formation of Complex Organic Molecules in Cold Interstellar Environments through Nondiffusive Grain-surface and Ice-mantle Chemistry

Jin, Mihwa & Garrod, Robin T.

Astrophysical Journal Supplements, 2020, 249, 26
 

Astrochemistry During the Formation of Stars

Jorgensen, Jes K., Belloche, Arnaud  & Garrod, Robin T.

Annual Reviews in Astronomy & Astrophysics (in press), 2020

Exploring molecular complexity with ALMA (EMoCA): complex isocyanides in Sgr B2(N)

Willis, E. R., Garrod, R. T., Belloche, A. et al.

Astrophysical Journal, 2020, 636, 29

Constraining Cosmic-Ray Ionization Rates and Chemical Timescales in Massive Hot Cores

Barger, Christopher J. & Garrod, Robin T.

Astrophysical Journal, 2020, 888, 38

Simulations of Ice Chemistry in Cometary Nuclei

Garrod, Robin T.

Astrophysical Journal, 2019, 884, 69

Re-exploring Molecular Complexity with ALMA (ReMoCA): interstellar detection of urea

Belloche, A., Garrod, R. T., Müller, H. S. P. et al.

Astronomy & Astrophysics, 2019, 628, 10

Organometallic chemistry, inorganic chemistry, homogeneous catalysis, small molecule activation

The development of more efficient synthetic methods represents a major economic and environmental challenge for the chemical industry. With research interests that span the fields of inorganic and organic chemistry, we focus on the preparation and characterization of new transition metal complexes that are capable of activating organic molecules toward novel reactivity. By focusing on fundamental inorganic and organometallic chemistry, our efforts are directed toward the design of single-site catalysts that form the foundation of new synthetic methodologies. We apply our fundamental research toward chemical processes of relevance to the production and use of energy, the synthesis of large-scale chemicals as well as the fine chemical sector.

Petroleum distillates make up a considerable fraction of the synthetic building blocks available to the chemical industry and with a steep rise in demand, the efficient use of fossil resources is increasingly important. Carbon and hydrogen are the major elemental constituents of fossil-derived products. One area of focus for our group is the design of transition metal complexes that selectively break C–H bonds to enable reactivity towards useful products. For example, we are exploring the use of late transition metal systems for catalytic C–C bond formation reactions that proceed through transition metal-mediated C–H activation. Systems based on Ru, Pt, Rh and Ir developed in our labs catalyze the addition of aromatic (including arenes and heteroaromatic substrates) C–H bonds across the C=C bonds of olefins. The overall reactions result in arene alkylation or alkenylation. By understanding how the metal identity, metal oxidation state, and ancillary ligand impact the catalytic cycle, we can design improved catalysts.

Another area of interest is the development and study of catalysts for the selective partial oxidation of light alkanes. Natural gas is an abundant resource for chemicals, but current processes for the oxidation of light alkanes (methane, ethane, propane) to form alcohols are indirect and energy intense. As a result, distributed conversion at natural gas wellheads is not generally economical, which often results in natural gas flaring. We are studying new strategies for catalytic conversion of methane, ethane and propane to selectively generate methanol, ethanol and propanol. Our efforts are focused on both thermal and photo-driven processes. 

Recently, we also have initiated projects to elucidate mechanistic details for electrocatalytic water oxidation. This is a half-reaction for overall electrocatalytic splitting of water to form dihydrogen and dioxygen, which is one strategy for the scaled conversion of abundant solar energy to chemical fuels. Electrocatalytic water oxidation is challenging due to the multi-step/multi-electron pathway as well as the common degradation of active sites to metal oxos. In collaboration with other groups, we are studying well-defined molecular catalysts, primarily based on abundant first row transition metals such as Cu and Co, including the integration of molecular active sites into conductive carbon materials.

Representative Publications

"Rhodium-Catalyzed Arene Alkenylation Using Only Dioxygen as Oxidant" Zhu, W., Gunnoe, T. B.* ACS Catal. 2020, 10, 11519-11531. DOI: 10.1021/acscatal.0c03439

"Synthesis of Stilbenes by Rhodium-Catalyzed Aerobic Alkenylation of Arenes via C–H Activation" Jia, X., Frye, L. I., Zhu, W., Gu S., Gunnoe, T. B.* J. Am. Chem. Soc. 2020, 142, 10534-10543. DOI: 10.1021/jacs.0c03935

"Use of Ligand Steric Properties to Control the Thermodynamics and Kinetics of Oxidative Addition and Reductive Elimination with Pincer-ligated Rh Complexes" Gu, S., Nielsen, R. J.*, Taylor, K. H., Fortman, G. C., Chen, J., Dickie, D. A., Goddard III, W. A.*, Gunnoe, T. B.* Organometallics 2020, 39, 1917-1933. DOI: 10.1021/acs.organomet.0c00122 (NOTE: List of "Most Read Articles" for Organometallics)

"Advances in Rhodium Catalyzed Oxidative Arene Alkenylation" Zhu, W., Gunnoe, T. B.* Acc. Chem. Res. 2020, 53, 920-936. DOI: 10.1021/acs.accounts.0c00036

"Styrene Production from Benzene and Ethylene Catalyzed by Palladium(II): Enhancement of Selectivity towards Styrene via Temperature Dependent Vinyl Ester Consumption" Jia, X., Foley, A. M., Liu, C., Vaughan, B. A., McKeown, B. A., Zhang, S., Gunnoe, T. B.*  Organometallics 2019, 38, 3532-3541. DOI: 10.1021/acs.organomet.9b00349 (manuscript was selected for the issue cover)

"Mechanistic Studies of Single-Step Styrene Production Catalyzed by Rh Complexes with Diimine Ligands: An Evaluation of the Role of Ligands and Induction Period" Zhu, W., Luo, Z.,  Chen, J., Liu, C., Yang, L., Dickie, D. A., Liu, N., Zhang, S., Davis, R. J., Gunnoe, T. B.* ACS Catalysis 2019, 9, 7457-7475. DOI: 10.1021/acscatal.9b01480

"Catalytic Synthesis of Super Linear Alkenyl Arenes Using a Rh(I) Catalyst Supported by a "Capping Arene" Ligand: Access to Aerobic Catalysis" Chen, J., Nielsen, R. J.*, Goddard III, W. A., McKeown, B. A., Dickie, D. A., Gunnoe, T. B.* J. Am. Chem. Soc. 2018, 140, 17007-17018. DOI: 10.1021/jacs.8b07728

"Catalytic Synthesis of "Super" Linear Alkenyl Arenes Using an Easily Prepared Rh(I) Catalyst" Webster-Gardiner, M. S., Chen, J., Vaughan, B. A., McKeown, B. A., Schinski, W., Gunnoe, T. B.* J. Am. Chem. Soc. 2017, 139, 5474-5480. DOI: 10.1021/jacs.7b01165. This manuscript was highlighted in Chemical and Engineering News 2017, 95(17), 8.

"Organometallic Complexes Anchored to Conductive Carbon for Electrocatalytic Oxidation of Methane at Low Temperature" Joglekar, M., Nguyen, V., Pylypenko, S., Ngo, C., Li, Q., O’Reilly, M.E., Gray, T.S., Hubbard, W.A., Gunnoe, T. B.*, Herring, A. M.*, Trewyn, B.G.*. J. Am. Chem. Soc. 2016, 138, 116-125. This manuscript was highlighted in Chemical and Engineering 2015, 93 (43), 6; featured on cover of J. Am. Chem. Soc., selected for JACS Spotlights). DOI: 10.1021/jacs.5b06392

"A Rhodium Catalyst for Single-Step Styrene Production" Vaughan, B. A., Webster-Gardiner, M. S., Cundari, T. R.*, Gunnoe, T. B.* Science 2015, 348, 421-424. This manuscript was highlighted in Chemical and Engineering News 2015, 93 (17), 26. DOI: 10.1126/science.aaa2260

See more (PubMed)…

See more (Google Scholar)…

For decades, the dearomatization of arenes has been recognized as a chemical transformation of fundamental importance. It provides the connection between this robust and abundant source of hydrocarbons and the alicyclic frameworks common to many biologically active products. Thus, dearomatization methods have become powerful tools for organic synthesis.

The chemical properties of arenes are influenced by their coordination to a transition metal. For example, complexes such as (η6-arene)Cr(CO)3+ and its cationic analogs (e.g., FeCp+, RuCp+, Mn(CO)3+) are susceptible to nucleophilic substitution or addition, ultimately leading to the formation of substituted arenes or cyclohexadienes, respectively. During the past three decades, the application of η6-arene complexes to organic synthesis has been widely explored.

In the Harman Research Group, an alternative approach to the dearomatization of arenes has been developed in which the aromatic system may be activated toward organic transformations by η2-coordination. Here, the metal-arene bond is stabilized primarily by the interaction of filled metal dπorbitals with the  π* system of the arene, an interaction having two important consequences for the activation of the aromatic ring. Through πbackbonding, the aromatic π system becomes more electron-rich, similar to what is observed for organic arenes bearing electron-donating groups. Additionally, structural data for complexes containing η2-coordinated aromatic rings show significant distortions in the bond lengths of the ring consistent with a localization of πelectron density. Together, these effects activate η2-bound aromatic systems toward electrophilic rather than nucleophilic addition. When the π base binds an aromatic heterocycle such as a pyridine, furan or pyrrole, novel tandem addition reactions and cycloaddition reactions become possible.

Of the handful of transition metal systems that are known to form stable η2 complexes with aromatic molecules, only d6 octahedral metal complexes have been shown to enhance the reactivity of the aromatic ligand toward electrophiles to date. For nearly a decade, despite our best efforts, this mode of arene activation was known only for the pentaammineosmium(II) system. However, in the past few years a new generation of dearomatization agents have been developed in our group based on a careful matching of the d5/d6 reduction potential of rhenium(I), tungsten(0), and molybdenum(0) complexes with that of pentaammineosmium(II).

Recent Publications

Group 6 Dihapto-Coordinate Dearomatization Agents for Organic Synthesis Liebov, B. K.; Harman, W. D., Chem. Rev. 2017, 117, 13721-13755.

Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF3 Groups Wilde, J. H.; Smith, J. A.; Dickie, D. A.; Harman, W. D., J. Am. Chem. Soc. 2019, 141, 18890-18899.

Highly Functionalized Cyclohexenes Derived from Benzene: Sequential Tandem Addition Reactions Promoted by Tungsten Wilson, K. B.; Smith, J. A.; Nedzbala, H. S.; Pert, E. K.; Dakermanji, S. J.; Dickie, D. A.; Harman, W. D., J. Org. Chem. 2019, 84, 6094-6116.

Preparation of Cyclohexene Isotopologues and Stereoisotopomers from Benzene Smith, J. A.; Wilson, K. B.; Sonstrom, R. E.; Kelleher, P. J.; Welch, K. D.; Pert, E. K.; Westendorff, K. S.; Dickie, D. A.; Wang, X.; Pate, B. H.; Harman, W. D., Nature 2020, 581, 288-293. 

Experiments and Direct Dynamics Simulations that Probe η2-Arene/Aryl-Hydride Equilibria of Tungsten Benzene Complexes Smith, J. A.; Schouten, A.; Wilde, J. H.; Westendorff, K. S.; Dickie, D. A.; Ess, D. H.; Harman, W. D., Journal of the American Chemical Society 2020, 142, 38, 16437–16454.

See more (Google Scholar)…

The science of organic synthesis is central to both the discovery and manufacturing of pharmaceuticals and other fine chemicals and the emergence of subdisciplines of biology that are becoming increasingly focused on phenomena at the molecular level (e.g., synthetic biology and chemical biology). Over the last half-century revolutionary advances in synthetic organic chemistry have made it possible to synthesize virtually any molecule given enough time, money, and manpower. However, this is frequently not enough since a lack of practical and cost-effective synthetic access can and does prevent promising drug leads from ever helping patients. The grand challenge for synthetic organic chemistry is therefore to advance the field of synthesis to the point where any molecule can be not only synthesized, but also synthesized in a way that minimizes the cost, time, and manpower required as well as environmental impact. Our group’s research is focused on eliminating synthetic considerations as a barrier to the discovery of new therapeutics.

Recent Publications

Organocatalytic, Dioxirane-Mediated C-H Hydroxylation under Mild Conditions Using Oxone. W. G. Shuler, S. L. Johnson, M. K. Hilinski, Org. Lett. 2017, 19, 4790–4793.

An Iminium Salt Organocatalyst for Selective Aliphatic C–H Hydroxylation. D. Wang, W. G. Shuler, C. J. Pierce, M. K. Hilinski, Org. Lett. 2016, 18, 3826–3829.

Intermolecular Electrophilic Addition of Epoxides to Alenes: [3+2] Cycloadditions Catalyzed by Lewis Acids. W. G. Shuler, L. A. Combee, I. D. Falk, M. K. Hilinski, Eur. J. Org. Chem. 2016, 3335–3338.

Chemoselective Hydroxylation of Aliphatic sp3 C–H Bonds Using a Ketone Catalyst and Aqueous H2O2. C. J. Pierce, M. K. Hilinski, Org. Lett. 2014, 16, 6504–6507.

See more (PubMed)…

Polyethylene Terephthalate Microdevices

Our research group has developed a technique for fabricating microfluidic devices with complex multilayer architectures using a laser printer, a CO2 laser cutter, an office laminator, and common overhead transparencies as a printable substrate via a laser print/cut and laminate (PCL) methodology.  The printer toner serves three functions; (1) it defines the microfluidic architecture, (2) acts as the bonding agent, and (3) provides printable, hydrophobic "valves" for fluidic flow control. Using common graphics software, the protocol produces microfluidic devices with a design-to-device time of ~40 min.  Devices of any shape can be generated for an array of multistep assays with colorimetric detection of molecular species ranging from small molecules to proteins.  The simplicity of the protocol, availability of the equipment and substrate and cost-effective nature of the process make microfluidic devices available to those who might benefit most from expedited, microscale chemistry.

Figure 1.  A microfluidic chip designed to dispense sample and mix reagents by rotating at varying speeds.  This specific device is used to measure albumin concentration, white blood cell count, and hematocrit in whole blood.

Biological, Bioanalytical and Clinical Chemistry

Almost every aspect of the biochemical, biomedical and clinical sciences involves separation of species in complex matrices. Electrophoresis has been a benchmark technique for separation and characterization of biologically-active species. Instead of using conventional slab gel electrophoretic approaches, electrophoresis in micron-scale capillaries using applied fields as high as 30,000 volts, results in unprecedented resolution with unique selectivities and short analysis times. As a result of the microscalar nature of the capillary, only microliters of reagent are consumed by analysis with only a few nanoliters of samples injected for analysis. These characteristics, as well as the ability for on-line detection with laser-induced fluorescence sensitivities in the attomole (10-18 moles) range, made capillary electrophoresis (CE) appealing as a replacement for electrophoretic gels in the biomedical and clinical arenas. We have demonstrated the potential impact of CE on clinical diagnostics through the development of new CE-based assays for measuring kidney function, detecting multiple sclerosis and viral infections, screening for lymphoma, as well as for diagnosing drug abuse and alcoholism.

Figure 1. A – Schematic of capillary electrophoresis instrumentation. B – CE separation of human serum for the diagnosis of alcoholism.

While the diagnostic impact of standard CE technology is clear, an alternative platform for electrophoresis in microscalar structures has evolved in the form of microchip electrophoresis. The use of microfabricated glass devices containing etched capillary-like channels provides an electrophoretic platform akin to CE but with more flexibility. “Microchip electrophoresis” allows for analysis times to be decreased by an order of magnitude over times achievable by CE (as fast as 10-200 seconds) and two orders of magnitude faster than gel electrophoresis. This provides obvious value to clinical diagnostic laboratories in terms of more rapid turn around time and capability for high throughput screening. We have demonstrated this with the detection T-cell and B-cell lymphoma in a separation remarkably faster than with conventional means.

Figure 2. Demonstration of microchip electrophoresis as a technique for rapid diagnosis of T-Cell lymphoma. Sample T1 shows a negative sample, which is represented by the smear after 100 seconds of separation. T4 is a positive sample with a sharp peak.

With a program focused on the application of miniaturized electrophoretic technology to the clinical and forensic sciences, our current efforts involve broadening the scope of applications for microchip technology. This involves addressing issues associated with integrating functions other than "separation" onto microchips. For example, we are focused on defining approaches for integrating DNA sample preparation into microchips. PCR amplification of DNA carried out using infrared-mediated thermocycling for rapid on-chip amplification and rapid DNA extraction using microchamber-bound solid phases are two examples of our integration efforts.

Figure 3. A – Demonstration of IR-mediated PCR in a polyimide microchip. Total time necessary for thermocycling was 220 seconds. B – Elution profile of DNA in mSPE chip.

The successful integration of DNA extraction and amplification will lead to the development of an “Integrated Diagnostic” or ID-chip, which we ultimately hope will improve laboratory medicine. Efforts are also underway to 1) define better detection systems using acoustic-optic technology, 2) develop multichannel devices for high-throughput analysis using this optical technology, 3) explore proteomic aspects of disease using multi-dimensional microchips for protein separations, and 4) apply the relevant methods to forensic applications.

Recent Publications

Simultaneous metering and dispensing of multiple reagents on passivelycontrolled microdevice solely by finger pressing.  Xu K, Begley M, Landers JP. Lab on a Chip. 15: 867-876 (2015).

Integrated sample-in-answer-out microfluidic chip for Rapid HumanIdentification by STR analysis.  Le Roux D, Root B, Reedy C, Hickey J, Scott O, Bienvenue J, Landers JP, Chassagne L, Mazancourt P.  Lab on a Chip. 14:4415-4425 (2014).

DNA Analysis Using an Integrated Microchip for Multiplex PCRAmplification and Electrophoresis for Reference Samples.  Le Roux D, Root B, Reedy C, Hickey J, Scott O, Bienvenue J, Landers JP, Chassagne L, Mazancourt P.  Analytical Chemistry. 86:8192-8199 (2014).

Rapid, cost-effective DNA quantification via a visually-detectableaggregation of superparamagnetic silica-magnetite nanoparticles.  Liu Q, Li J, Liu H, Tora I, Ide M, Lu J, Davis R, Green D, Landers JP.  Nano Research. 7:755-764 (2014).

Dual-force aggregation of magnetic particles enhances label-freequantification of DNA at the sub-single cell level.  Nelson D, Strachan B, Sloane H, Li J, Landers JP.  Analytica Chimica Acta. 819:34-41 (2014).

Enhanced recovery of spermatozoa and comprehensive lysis of epithelialcells from sexual assault samples having a low cell counts or aged up to one year.  Loundsbury J, Nambia S, Karlsson A, Cunniffe H, Norris J, Ferrance J, Landers JP. Forensic Science International: Genetics. 8:84-89 (2014).

See more (PubMed)…

See more (Google Scholar)…

Ultrasensitive Spectroscopy

There are many problems of both fundamental and of practical importance that requires measurement of extremely low concentrations of certain impurities. Molecular spectroscopy provides one approach that excels in the high specificity provided by the detailed structure in the spectrum, particularly for molecules in the gas phase. Lehmann’s group has been working on the development of new trace sensors, largely based upon the method of cavity ring-down spectroscopy (CRDS). In CRDS, one forms a stable optical cavity using mirrors with reflectivity > 99.99 percent and observes absorption of a sample contained inside the cavity by an increase in the rate of decay of light that is trapped between the mirrors. Sample absorption as low as 1 part in 109 per pass of the cell can be measured in this way. The Lehmann group pioneered the use of low cost and rugged diode lasers developed for the telecom industry in CRDS and has demonstrated detection of a number of small molecules, such as H2O, NH3, NO, and CH4 at levels below one part per billion in a sample gas. Tiger Optics, Inc. is now selling instruments based upon this work to several industries. 

A current focus of the research is development of a version of CRDS that exploits near-resonant two-photon IR absorption of a low-pressure gas.  A low-loss optical cavity can enhance the intensity of light up to ten thousand times over the intensity of the laser used to excite the cavity.  Two-photon absorption of counter propagating photons is with out Doppler Broadening, resulting in transitions with widths ~103 times narrower than the Doppler width of transitions.   While the spectrum of polyatomic molecules often have crowded spectra due to the large number of thermally populated rotational and vibrational states, the two-photon spectrum is dominated by only a few transitions where there is a pair of transitions, sharing an intermediate level, that are very nearly at the same frequency.   For modest size polyatomic molecules, the two-photon absorption spectrum has less than 0.1% as many strong lines at the one photon spectrum.  The combination of the small number and small widths of the lines mean that the typical two-photon spectrum is ~106 times more selective than the one photon spectrum in the same spectral region.  In addition, the two-photon loss of a cavity can be separated from linear loss contributions to the cavity from mirrors, scattering, and one-photon absorption, which results in increased sensitivity as well.

Double Resonance Spectroscopy

There are many situations, such as in combustion and for “Hot Jupiter” Exoplanets, where simulation of spectra of hot samples of polyatomic molecules is needed.  Traditionally, such spectra are difficult to study experimentally due to spectral congestion and sample decomposition.  Great strides have been made in theoretical modeling of such spectra but these theoretical spectra need to be tested experimentally to assess their accuracy, particularly with respect to transitions starting from excited vibrational states.   The Lehmann group, in collaboration with a group in the Univ. of Umea in Sweden, has developed a novel double resonance method that involves using a narrow bandwidth infrared Optical Parametric Oscillator to pump a single ro-vibrational transitions of a molecule (so far we have focused on methane) and then probe absorption transitions from this excited state with a frequency comb, which allows us to simultaneously detect absorption has tens of thousands of discrete frequencies, each determined with ~1 KHz frequency accuracy.  As the pump laser only pumps molecules with a narrow width of Doppler Shift, the probe transitions are sub-Doppler with a width of only a few MHz. 

Meta-Science

There is currently a “replication crisis” is several fields of science, such as psychology and cancer research, where it has been found that a majority of published experiments fail to give the reported results when carefully repeated by independent laboratories.   There are more isolated reports that a substantial fraction of chemical syntheses cannot be reproduced using only what is in the published papers.    Spectroscopy is most often more about measurement than hypothesis testing and has substantially redundancy in that many transitions are fit to high accuracy with a Hamiltonian with a limited number of constants.   However, the accuracy of derived molecular parameters are often dependent upon the details of statistical analysis and poorly understood model errors.  The lab is currently doing systematic investigations the historical reproducibility of spectroscopic constants and the molecular properties derived from them, such as equilibrium structures.

Recent Publications

1. Simon Lobsiger, Cristobal Perez, Luca Evangelisti, Kevin K. Lehmann, and Brooks H. Pate, Molecular Structure and Chirality Detection by Fourier Transform Microwave Spectroscopy, J. Phys. Chem. Lett. 6, 196-200 (2015)
2. Y. Chen, P. Mahaffy, V. Holes, J. Burris, P. Morey, K.K. Lehmann, B. Sherwood Lollar, G. Lacrampe-Couloume, and T.C. Onstott, Near Infrared Cavity Ring-Down Spectroscopy for Isotopic Analysis of CH4 on Future Martian Surface Missions, Planetary and Space Sciences 105, 117-122 (2015).
3. Vitali I. Stsiapura, Vincent K. Shuali, Benjamin M. Gaston, and Kevin K. Lehmann, Detection of S‑Nitroso Compounds by Use of Midinfrared Cavity Ring-Down Spectroscopy, Analytical Chemistry 87, 3345-53 (2015).
4. Z Meng, G.I. Petrov, S Cheng, J.A. Jo, K.K. Lehmann, V.V. Yakovlev, M.O. Scully, Lightweight Raman Spectroscope using time-correlated photon counting detection, Proceedings of the National Academy of Sciences, 112, 12315-12320 (2015).
5. Chen, Y., K. K. Lehmann, Y. Peng, L. M. Pratt, J. R. White, S. B. Cadieux, B. S. Lollar, G. Lacrampe-Couloume and T. C. Onstott, Hydrogen Isotopic Composition of Arctic and Atmospheric CH4 Determined by a Portable Near-Infrared Cavity Ring-Down Spectrometer with a Cryogenic Pre-Concentrator, Astrobiology 16(10): 787-797. (2016).
6. Lehmann, K. K., Influence of resonant collisions on the self-broadening of acetylene, Journal of Chemical Physics 146(9): 094309 (2017).
7. Seifert, N. A., D. P. Zaleski, R. Fehnel, M. Goswami, B. H. Pate, K. K. Lehmann, H. O. Leung, M. D. Marshall and J. F. Stanton, The gas-phase structure of the asymmetric, trans-dinitrogen tetroxide (N2O4), formed by dimerization of nitrogen dioxide (NO2), from rotational spectroscopy and ab initio quantum chemistry, Journal of Chemical Physics 146(13): 134305 (2017).
8. K.K. Lehmann, Theory of Enantiomer-Specific Microwave Spectroscopy, in Frontiers and Advances in Molecular Spectroscopy, pgs 713-743 (2018).  Edited by Jaan Laane, Elsevier publisher. 
9. K.K. Lehmann, Influence of spatial degeneracy on rotational spectroscopy: Three-wave mixing and enantiomeric state separation of chiral molecules, Journal of Chemical Physics 149(9): 094201 (2018).
10. J. Karhu, K.K. Lehmann, M. Vainio, M. Metsala, and L. Halonen, Step-modulated decay cavity ring-down, Optics Express 26(22): 094201 (2018)
11. K. K. Lehmann, Resonant enhanced two-photon cavity ring-down spectroscopy of vibrational overtone bands: a proposal, Journal of Chemical Physics 151: 144201(2019), https://doi.org/10.1063/1.5122988.
12. Gang Zhao, D. Michelle Bailey, Adam J. Fleisher, Joseph T. Hodges, and Kevin K. Lehmann, Doppler-Free two-photon cavity ring-down spectroscopy of a nitrous oxide (N2O) vibrational overtone transition, Physical Review A 101, 062509 (2020).
13. Kevin K. Lehmann, Optical cavity with intracavity two-photon absorption, Journal of the Optical Society of America B 37, 3055 (2020).
14. Aleksandra Foltynowicz, Lucile Rutkowski, Isak Silander1, Alexandra C. Johansson, Vinicius Silva de Oliveira, Ove Axner, Grzegorz Soboń, Tadeusz Martynkien, Paweł Mergo, and Kevin K. Lehman, Sub-Doppler Double-Resonance Spectroscopy of Methane Using a Frequency Comb Probe, to be published in Physical Review Letters.
15. Aleksandra Foltynowicz, Lucile Rutkowski, Isak Silander1, Alexandra C. Johansson, Vinicius Silva de Oliveira, Ove Axner, Grzegorz Soboń, Tadeusz Martynkien, Paweł Mergo, and Kevin K. Lehman, Measurement and assignment of double-resonance transitions to the  8900--9100 cm-1 levels of methane, to be published in Physical Review A.

See more (Google Scholar)…

Molecular Glycosciences

• Complex Glycoconjugate Synthesis

• Carbohydrate-Based Molecular Recognition

Cell surface carbohydrates, typically conjugated to proteins and lipids, are key elements in the cellular communication that is essential to cellular organization and function in all organisms. Not only do these cell surface constituents mediate normal behavior in cells, but they may also participate in molecular recognition events that are associated with many serious human diseases, including rheumatoid arthritis, viral and bacterial infections, and cancer metastasis. This provides an extremely attractive opportunity for selective chemical intervention of cell function through the targeting of specific cell surface carbohydrate structures.

A central theme of our research is the application of synthetic organic chemistry to the preparation of appropriate carbohydrate structures in order to carry out detailed structural studies addressing their recognition properties. The highly complex structures of carbohydrates, particularly in the form of their corresponding glycoconjugates, often challenge the limits of existing synthetic technology and dictate the development of new methodology. As such, studies addressing biological carbohydrates offer opportunities for discoveries in the both the chemical and biological domains.

One for the focuses of our efforts is the development of synthetic cancer vaccines directed toward cell surface carbohydrate antigen structures. In this context, the synthesis of complex oligosaccharides is currently under investigation, as well as the development of new strategies for the assembly of unnatural glycopeptide structures that may prove useful in the assembly of effective vaccines.

In other studies, we are endeavoring to exploit the dense stereochemical and functional content of carbohydrates to generate new classes of molecules for highly selective biorecognition. In particular, C-glycoside oligosaccharide/peptide hybrids are being examined for specific cell surface and DNA recognition and binding toward the goal of making available new methods for the treatment of diseases and for the rational modification of biological function.

Representative Publications

Studies on the stereoselective synthesis of C-allyl glycosides. McGarvey GJ, LeClair CA, Schmidtmann BA. Org Lett. 10, 4727-30 (2008).

The preparation of C-glycosyl amino acids – an examination of olefin cross-metathesis. Schmidtmann FW, Benedum TE, McGarvey GJ. Tetrahedron letters. 46, 4677-4681 (2005).

Synthesis of alpha- and beta-C-glycosides of N-acetylglucosamine. McGarvey GJ, Schmidtmann FW, Benedum TE, Keizer DE. Tetrahedron letters. 44, 3775-3779 (2003).

Development of co- and post-translational synthetic strategies to C-neoglycopeptides. McGarvey GJ, Benedum TE, Schmidtmann FW. Org Lett. 4, 3591-4 (2002).

See more (PubMed)…

See more (Google Scholar)…

Michael Palmer, Associate Director and Associate Professor, joined the Teaching Resource Center in the Fall of 2003. As an Associate Director, he presents interactive workshops locally, nationally and internationally; he regularly consults with faculty, graduate student instructors, departments, and administrative units about teaching and learning matters; and he designs and administers professional development programs, such as the TRC’s graduate student professional development program, Tomorrow’s Professor Today, and the Center’s annual Course Design Institute. His educational development research centers on teaching consultation techniques, graduate student professional development, and the impact of intense professional development activities on teacher beliefs and practices. Published accounts of his work can be found in To Improve the Academy, Practically Speaking: A Sourcebook for Instructional Consultants in Higher Education (2nd Ed, 2012; editor Kate Brinko), and Studies in Graduate and Professional Student Development. He was the 2011 Professional and Organizational Development Network in Higher Education’s (POD Network) conference co-chair and has served on the core faculty of the 2009, 2011, and 2013 New Faculty Developers Institutes. He is currently a member of the POD Network’s Core Committee, the organization’s Board of Directors, and chair of the Membership Committee.

Michael’s pedagogical interests include course design, active learning, student motivation, creative thinking, and teaching large enrollment courses, particularly in STEM disciplines. He teaches a highly interdisciplinary course on infinity and a large-enrollment, inquiry-based laboratory course for first-year chemistry students. In 2012, he won one of UVa’s All-University Teaching Awards.

Born and raised in Wyoming, Michael obtained his B.S. and Ph.D. in chemistry at the University of Wyoming in Laramie. There he won both the University of Wyoming Outstanding Dissertation Award and the Sara Jane Rhoads Award for Outstanding Research for the Ph.D. Degree in Chemistry. Upon completing his graduate studies, Michael accepted a postdoctoral research position in the Chemical Engineering Department at the University of Virginia. Michael’s research focused on environmentally and industrially important catalytic processes, from the desulfurization of petroleum feedstocks and the conversion of natural gas to liquid fuels to the selective oxidation of aromatic compounds. Published accounts of his chemical research can be found in the Journal of the American Chemical Society, Journal of Physical Chemistry B, and Organometallics.

Our lab develops methods based on microfluidic culture systems, bioanalytical techniques, and spatially resolved simulations to quantify the spatiotemporal dynamics of the inflammatory cascade and develop targeted therapies.  This work is part of a broad interest in the dynamics of complex biological systems.  Specifically, we study the kinetics of immunity and inflammation, and we develop chemically targeted methods to control these processes in the context of vaccination, autoimmunity, and chronic inflammatory disease.

The immune system is a fascinating topic for physical scientists to study, and one where novel analytical tools can make a significant impact.  The system consists of a highly structured network whose components include a set of specialized cell types and secreted signals, which organize themselves into dynamic spatial arrangements. These components interact with all of the characteristics of mathematical complexity, including nonlinearity, thresholds for activation, and multiple length scales, and they exhibit emergent behaviors that are difficult to predict from knowledge of the individual components.  As a result of this complexity, protective immune responses against invading pathogens and injected vaccines are only a small perturbation away from the non-productive inflammation that characterizes autoimmunity, heart disease, Alzheimer’s disease, and solid tumors. Despite a wealth of information about individual proteins and cells in the immune system, it is challenging to predict the effects of a given stimulation of the immune system. One reason is that chemical stimulation of individual clusters of cells is still difficult to achieve in vitro or in vivo.  Spatially resolved readout of secreted molecules is also difficult, unless the molecules can be fluorescently labeled. Without such tools, it remains unclear how to stop an autoimmune disease without suppressing the entire immune system, or how to design potent vaccines that work for any disease target without unwanted inflammatory side effects.

We are developing new methods to study the kinetics and the spatial behavior of cells and secreted signals during immune responses.  For example, we are designing microfluidic devices to test the effects of spatial distribution and local delivery of signals.  We also are developing new ways to measure the secretions of cells in living tissues with high spatial and temporal resolution.  To do so, we combine activities from a variety of disciplines, including microfabrication and device design; quantitative analysis of chemical and biochemical signals using immunoassays, HPLC, mass spectrometry, and fluorescence microscopy (widefield and confocal); live cell and tissue imaging using samples from mouse models of health and disease; and, finally, spatially-resolved time-dependent numerical simulations.  Eventually, we will use the information from these experiments to design spatially targeted nanoparticles that abrogate inflammation.  Our goal is that the methods we develop will enable experiments that contribute to the fundamental understanding of both immunity and complex chemical kinetics, and that they will help guide the design of highly targeted vaccines and immunotherapies.

Representative Publications

Materials-based modulation of inflammation and immune responses:

The use of self-adjuvanting nanofiber vaccines to elicit high-affinity B cell responses to peptide antigens without inflammation.  Chen J*, Pompano RR*, Santiago FW, Maillat L, Sciammas R, Sun T, Han H, Topham DJ, Chong AS, Collier JH.  Biomaterials. 2013; 34(34):8776-85. *Equal contributions.

Device design for microfluidic analyses:

Control of initiation, rate, and routing of spontaneous capillary-driven flow of liquid droplets through microfluidic channels on SlipChip.  Pompano RR, Platt CE, Karymov MA, Ismagilov RF.  Langmuir. 2012; 28(3):1931-41.

Toward mechanistic understanding of nuclear reprocessing chemistries by quantifying lanthanide solvent extraction kinetics via microfluidics with constant interfacial area and rapid mixing.  Nichols KP, Pompano RR, Li L, Gelis AV, Ismagilov RF.  J Am Chem Soc. 2011; 133(39):15721-9.

Microfluidics using spatially defined arrays of droplets in one, two, and three dimensions.  Pompano RR, Liu W, Du W, Ismagilov RF.  Annu Rev Anal Chem. 2011; 4:59-81. (review)

Microfluidics for analysis of complex biological systems:

Confinement regulates complex biochemical networks: initiation of blood clotting by “diffusion acting”.  Shen F, Pompano RR, Kastrup CJ, Ismagilov RF.  Biophys J. 2009 Oct 21;97(8):2137-45.

Spatial localization of bacteria controls coagulation of human blood by ‘quorum acting’.  Kastrup CJ, Boedicker JQ, Pomerantsev AP, Moayeri M, Bian Y, Pompano RR, Kline TR, Sylvestre P, Shen F, Leppla SH, Tang WJ, Ismagilov RF.  Nat Chem Biol. 2008; 4(12):742-50.

Rate of mixing controls rate and outcome of autocatalytic processes: theory and microfluidic experiments with chemical reactions and blood coagulation.  Pompano RR, Li HW, Ismagilov RF.  Biophys J. 2008; 95(3):1531-43.

Professor Serbulea is teaching organic chemistry courses, including the accelerated organic chemistry lectures and laboratories. She is actively involved in the development of the organic chemistry curriculum, focusing on improving the coordination between the topics in the lecture course and the experiments that are carried out in the laboratory. In the accelerated organic chemistry laboratories, students gain hands-on experience in the synthesis, purification, and characterization of organic compounds using modern analytical instruments and laboratory equipment.

Laura Serbulea earned her undergraduate degree at the University of Bucharest, Romania, and received her Ph.D. in Chemistry from University of California, Los Angeles. She joined the faculty at the University of Virginia in 2012. Her research interests are in the area of computational drug design targeting G-protein coupled receptors, and investigation of organic reaction mechanisms using computational methods.

The Venton group is interested in the development and characterization of analytical techniques to measure neurochemical changes. Measurements in the brain are challenging because tiny quantities of neuroactive molecules must be detected in a chemically-complex sample while disturbing the tissue as little as possible. In addition, fast time resolution measurements are needed to track the fast dynamics of neurotransmitter release and uptake. Our lab develops both electrochemical and separations methods to monitor these rapid changes in neurotransmitters in model systems. The development of new analytical tools will enable a better understanding of the central nervous system and facilitate the development of new treatments for neurological disorders. Several specific projects are highlighted below:

Electrochemical Detection of Adenosine

Adenosine is a neuromodulator that has a variety of actions including regulation of cerebral blood flow, modulation of neurotransmission, and protection against neuronal injury during stroke. We are studying the regulation of adenosine release in vivo and changes in adenosine in a brain slice model of stroke using cyclic voltammetry at carbon-fiber microelectrodes. Recently, we started to expand this study of adenosine dynamics to understand whether there are any differences between males and females.

Detection of Neurotransmitter Release in Drosophila

Drosophila melanogaster (the fruit fly) is a favorite model organism for biologists, but the central nervous system of a Drosophila larva is only 8 nL in volume! Our main tool is implanting a microelectrode that can detect rapid neurotransmitter changes.  A secondary technique we have developed is capillary electrophoresis with fast-scan cyclic voltammetry detection for investigating tissue content.  We are currently developing methods to study both serotonin and dopamine release in the fly.  While initial methods were developed in the larvae, we are now studying the adult as well, targeting the central complex and the mushroom bodies.  These studies are fast and will allow access to a wide array of genetics that are possible in the fly.  Current investigations include models of Parkinson disease in the fly and how autoreceptor drugs function on the serotonin system. 

Development of Carbon Nanomaterial-Based Electrodes

Carbon nanotubes have interesting electrical, chemical and mechanical properties and have been shown to promote electron transfer in electrochemical experiments. The Venton Lab explores the electrochemical properties of carbon nanomaterial-modified and carbon nanostructured electrodes to improve the sensitivity, temporal resolution, and antifouling properties for the FSCV detection of neurotransmitters.  Recently, we have characterized carbon nanospikes, carbon nanohorns, and carbon nanopipette electrodes. We are also 3D printing carbon electrodes with custom geometries.

Recent Publications

Real-Time Measurement of Stimulated Dopamine Release in Compartments of the Adult Drosophila melanogaster Mushroom Body. M. Shin, J. M. Copeland, B. J. Venton. Analytical Chemistry, 92(21): 14398-14407 (2020).

A1 and A2A Receptors Modulate Spontaneous Adenosine but Not Mechanically Stimulated Adensoine in the Caudate. Y. Chang, Y. Wang, B. J. Venton. ACS Chemical Neuroscience, 11(20): 3377-3385 (2020).

Improving Serotonin Fast-Scan Cyclic Voltammetry Detection: New Waveforms to Reduce Electrode Fouling. K. E. Dunham, B. J. Venton. Analyst, 145: 7437-7446 (2020).

Thin Layer Cell Behavior of CNT Yarn and Cavity Carbon Nanopipette Electrodes: Effect on Catecholamine Detection. Z. Shao, P. Puthongkham, K. Hu, R. Jia, M. V. Mirkin, B. J. Venton. Electrochimica Acta, 361(20): 137032 (2020).

3D-Printed Carbon Nanoelectrodes for In Vivo Neurotransmitter Sensing. Q. Cao, M. Shin, N. V. Lavrik, B. J. Venton. Nano Letters, 20(9): 6831-6836 (2020).

Structural Similarity Image Analysis for Detection of Adenosine and Dopamine in Fast-Scan Cyclic Voltammetry Color Plots. P. Puthongkham, J. Rocha, J. R. Borgus, M. Ganesana, Y. Wang, Y. Chang, A. Gahlmann, B. J. Venton. Analytical Chemistry, 92(15): 10485-10494 (2020).

Optimization of Graphene Oxide-Modified Carbon-Fiber Microelectrode for Dopamine Detection. Y. Chang, B. J. Venton. Analytical Methods, 12: 2893-2902 (2020).

Complex Sex and Estrous Cycle Differences in Spontaneous Transient Adenosine. J. R. Borgus, P. Puthongkham, B. J. Venton. Journal of Neurochemistry, 153(2): 216-229 (2020).

Recent Advances in Fast-Scan Cyclic Voltammetry. P. Puthongkham, B. J. Venton. Analyst, 145: 1087-1102 (2020).

Fundamentals of Fast-Scan Cyclic Voltammetry for Dopamine Detection. B. J. Venton, Q. Cao. Analyst, 145: 1158-1168 (2020).

See more (PubMed)…

See more (Google Scholar)…

Professor Lindsay Wheeler is a lecturer in the Chemistry Department and Assistant Director of STEM education innovations in the Center for Teaching Excellence (CTE). Dr. Wheeler teaches STEM education and higher education courses in the Education School. She previously taught a 1-credit Teaching Methods in Higher Education for chemistry, physics, biology, and astronomy TAs, which will be transformed into asynchronous modular units for TAs to access and integrate into their teaching. She worked with Dr. Charles Grisham to redesign the General Chemistry laboratory curricula (Chem 1411/1611/1421/1621) to a project-based guided inquiry approach where students work collaboratively to design, implement, analyze, and communicate their approach to solving a real-world problem. Dr. Wheeler has also previously taught Chem 1400 using a Process Oriented Guided Inquiry Learning (POGIL) curriculum. 

Dr. Wheeler’s mixed methods research explores the impact of professional development programs and teaching interventions on instructors’ beliefs, confidence, and practice in undergraduate STEM classrooms. She also investigates the impact of TA training and Teaching Methods courses on TAs’ content knowledge, beliefs, confidence, and instructional practice as well as how these TAs influence the students they teach. Dr. Wheeler is also the PI of a research collaborative across 18 institutions to capture the experiences of educational developers, faculty, and academic leadership during the time of crises.

Dr. Wheeler is active in the science education and educational development professional communities and presents regularly at national and international conferences.  She is Associate Coeditor of To Improve the Academy: A Journal of Academic Development. She leads the SoTL Scholars program to empower and enable faculty to engage in classroom-based research and disseminate their findings.

Recent publications:

Cruz, L., Dickens, E., Flaming, A., & Wheeler, L. (Accepted). Under the (compound) microscope: Multiple perspectives on the scholarship of educational development. International Journal of Academic Development.

Favre, D., Bach, D., & Wheeler, L.B. (Accepted). Measuring institutional transformation: A multi-faceted assessment of a new faculty development program. Journal of Research in Innovation Teaching & Learning.

St. Claire, T., Wheeler, L.B., Maeng, J.L., & Bell, R.L. (2020). Mixed-Methods Analysis of Science Teacher Educator Professional Development. Professional Development in Education. DOI: 10.1080/19415257.2020.1787191

Wheeler, L. & Bach, D. (2020). Understanding the Impact of Educational Development Interventions on Classroom Instruction and Student Success. International Journal of Academic Development. DOI:10.1080/1360144X.2020.1777555

Wheeler, L., Palmer, M., & Aneece, I. (2019). Students’ perceptions of course syllabi: The role of syllabi in motivating students. International Journal of the Scholarship of Teaching and Learning, 13(3), 1-10.

Sturtevant, H. & Wheeler, L. (2019). The STEM Faculty Instructional Barriers and Identity Survey (FIBIS): Development and exploratory results. International Journal of STEM Education, 6(35), 1-22. DOI: 10.1186/s40594-019-0185-0

• Featured on Tea for teaching
• Featured in the Chronicle of Higher Education

Wheeler, L., Sturtevant, H., & Mumba, F. (2019). An exploratory study of the impact of a Teaching Methods course for International Teaching Assistants in an inquiry-based general chemistry laboratory. Journal of Chemical Education. DOI: 10.1021/acs.jchemed.9b00239

Wheeler, L.B, Mulvey, B.K., Maeng, J.L., Librea-Carden, M.R., & Bell, R. L. (2019). Teaching the Teacher: Exploring STEM Graduate Students’ Nature of Science Conceptions in a Teaching Methods Course. International Journal of Science Education, 41, 1905-1925. DOI: 10.1080/09500693.2019.1647473

Wheeler, L. B., Navy, S. L., Maeng, J.L., & Whitworth, B.A. (2019). Development and Validation of the Classroom Observation Protocol for Engineering Design (COPED). Journal of Research in Science Teaching, 56, 1285-1305.  DOI: 10.1002/tea.21557

Wheeler, L.B., Chiu, J.L., Maeng, J.L., & Bell, R.L (2018). Teaching assistant motivation: Learning to teach in an inquiry-based undergraduate laboratory context. Chemical Education Research and Practice. DOI: 10.1039/c8rp00157j.

Stains, M., Harshman, J., Barker, M.K., Chasteen, S.V., Cole, R., DeChenne-Peters, S.E., Eagan Jr., M.K., Esson, J.M., Knight, J.K., Laski, F.A., Levis-Fitzgerald, M., Lee, C.J., Lo, S.M., McDonnell, L.M., McKay, T.A., Michelotti, N., Musgrove, A., Palmer, M.S., Plank, K.M., Rodela, T.M., Sanders, E.R., Schimpf, N.G., Schulte, P.M., Smith, M.K., Stetzer, M., Van Valkenburgh, B., Vinson, E., Weir, L.K., Wendel, P.J., Wheeler, L.B., Young, A.M. (2018).  Anatomy of STEM teaching in American universities:  A snapshot from a large-scale observation study. Science, 359, 1468-1470. DOI: 10.1126/science.aap8892  

Wheeler, L.B., Maeng, J.L., Chiu, J.L., & Bell, R.L. (2017).  Do teaching assistants matter? Investigating relationships between teaching assistants and student outcomes in undergraduate science laboratory classes. Journal of Research in Science Teaching, 54, 463-492.   DOI: 10.1002/tea.21373

Wheeler, L.B., Clark, C.P., & Grisham, C.M. (2017). Transforming a traditional laboratory to an inquiry-based course: Importance of training TAs when redesigning a curriculum.  Journal of Chemical Education, 94, 1019-1026. http://dx.doi.org/10.1021/acs.jchemed.6b00831

Wheeler, L.B., Maeng, J.L., & Whitworth, B.A. (2017).  Teaching assistant (TA) professional development within an inquiry-based general chemistry context: Characterization of TA knowledge and beliefs. Journal of Chemical Education, 94, 19-28.  DOI: 10.1021/acs.jchemed.6b00373

Palmer, M.P., Wheeler, L.B., & Aneece, I.P. (2016).  Does the document matter? The evolving role of syllabi in higher education, Change: The Magazine of Higher Learning, 48 (4), 36-47. DOI: 10.1080/00091383.2016.1198186

Wheeler, L.B., Chiu, J.L., & Grisham, C.M. (2016).  Computational methods in general chemistry: Perceptions of programming, prior experience, and student outcomes.  Journal of College Science Teaching, 45, 3, 83-91.

Wheeler, L.B., Maeng, J.L., & Whitworth, B.A. (2015).  Teaching assistants perceptions of a training to support an inquiry-based general chemistry laboratory course.  Chemical Education Research and Practice, 16, 824-842.  DOI: 10.1039/c5rp00104h

Trace Analysis: Environmental, Archaeological, and Forensic Applications

Professor Allen is not currently accepting graduate students.

The development of sensitive analytical methods has helped provide more detailed information about the small chemical differences between materials which seem similar but have different histories. In some cases, like geological samples, the large scale geochemical processes can give rise to subtle yet understandable differences in those elements which are present at trace levels. We have used instrumental neutron activation analysis and X-ray fluorescence to study several types of geological materials. These materials have been investigated as part of an ongoing effort to interpret the migration of trace elements during geochemical processes. In some cases, these same geological materials have been used by prehistoric humans and hence our studies have had archaeological implications.

To provide accurate trace element data on large numbers of samples, we have investigated several other analytical methods. The inductively coupled plasma emission source used to provide ions for a quadrupole mass spectrometer (ICP-MS) holds considerable promise. This method is also being used to study soil and glass samples for applicability in the forensic laboratory. Our efforts in the forensic science field are part of a continuing cooperative effort with scientists at the FBI’s research facilities. In the past, traces of explosive residues and epoxies have been analyzed to differentiate the sources of the materials. The latest forensic science efforts have been directed toward the important new area of DNA “fingerprinting.” This major forensic tool allows small amounts of genetic material to be used to match the DNA from a suspect.

Representative Publications

Forensic determination of ricin and the alkaloid marker ricinine from castor bean extracts. Darby SM, Miller ML, Allen RO. J Forensic Sci. 6, 1033-42 (2001).

A mass spectrometric method for quantitation of intact insulin in blood samples. Darby SM, Miller ML, Allen RO, LeBeau M. J Anal Toxicol. 25, 8-14 (2001).

Analysis of two multiplexed short tandem repeat systems using capillary electrophoresis with multiwavelength fluorescence detection. Isenberg AR, Allen RO, Keys KM, Smerick JB, Budowle B, McCord BR. Electrophoresis. 19, 94-100 1998 .

See more (PubMed)…

see more (Google Scholar)…

Robert Bryan was a faculty member of the U.Va. Chemistry Department for 36 years. During his career, Professor Bryan established an international reputation in crystallography and published more than 150 papers in the area. He was born in Rhu, Scotland in 1933, and earned his B.Sc. (1954) and Ph.D. (1957) from the University of Glasgow. His postdoctoral training was at ETH (BAttelle Fellow) and MIT (Alfred P. Sloane Fellow and a NIH Fellow) from 1957 – 1961. In 1961, he joined the faculty at Johns Hopkins University School of Medicine in the Biophysics Department. He joined U.Va. in 1967 as an Associate Professor of Chemistry and became a Full Professor in 1982. He held several offices in the international Union of Crystallography and was an editor of Acta Crystallographica and The Journal of Applied Crystallography. In addition to a very active research career (over 150 publications), Prof. Bryan was the Associate Dean for the Graduate School of Arts and Sciences from 1970 – 1973.

Professor Gerrans is primarily engaged in teaching and chemical education. He has taught undergraduate chemistry at the University of the Witwatersrand, South Africa and here at the University of Virginia.  He has held visiting professorships at the California Institute of Technology (1972), the University of Illinois (1979), the University of East Anglia, England (1986) and the University of Virginia (1990). Amongst the awards that he has received are the Convocation Distinguished Teacher’s Award (University of the Witwatersrand) and the Education Medal (South African Chemical Institute). He has published over 80 papers and is the co-author, together with P and R Hartmann-Petersen, of “Encyclopedia of Science and Technology,” (New Africa Books, 2007).

Most recently, Professor Gerrans was a faculty in the Spring 2009 UVA Semester at Sea Program.

Sidney Hecht was the John W. Mallet Professor of Chemistry and a Professor of Biology at UVA from 1978 – 2008. During his thirty years he led a very productive research group in the areas of synthesis and mechanism of action of bleomycin family antitumor antibiotics, peptidyltransferase as a source of synthetic enzymes, mechanism of action/inhibition of mammalian DNA topoisomerase I, and inhibition of signal transduction at the level of p90RSK. He is the recipient of numerous awards icluding the Alfred P. Sloan Research Fellowship (1975-79), a National Institutes of Health Research Career Development Award (1975-80), a John Simon Guggenheim Memorial Fellowship (1977-78), the 1996 Arthur C. Cope Scholar Award, the Virginia’s Outstanding Scientist Award (1996), a 1998 Research Achievement Award, American Society of Pharmacognosy and in 2004 he was elected as a Fellow of the American Association for the Advancement of Science. In a career spanning more than three decades, Sidney Hecht has held both academic and industrial research positions. From 1981 to 1986 in addition to his professorship at UVA, he held concurrent appointments at Smith Kline & French Laboratories, first as Vice President Preclinical R&D, then Vice President Chemical R&D.  He is currently Director of the Center for BioEnergetics in the Biodesign Institute and Professor of Chemistry at Arizona State University.

Bruce received his B.S. degree in chemistry at Northwestern University and received a Ph.D. degree in photochemistry from the University of Rochester.  Following postdoctoral appointments at both the California Institute of Technology and Harvard University, Bruce taught briefly at the American University of Beirut in Lebanon and came to the University of Virginia in 1959.  Throughout his research career, Professor Martin applied the methodologies of a physical chemist to investigate a wide range of problems of biological inspiration and consequence.  When he retired in 1994, he had published more than 200 papers ranging across physical, inorganic, biophysical, bioinorganic, physical organic, and bioorganic chemistry.  In 1964, he published a very highly regarded textbook, “Introduction to Biophysical Chemistry” that was translated into multiple languages. Bruce served as Chair during a difficult period in the Department’s history and was the principal catalyst in our transition to a modern Chemistry Department.  Bruce’s Chemistry colleagues remember him as a thoughtful and conscientious mentor and friend who went out of his way to support his colleagues and provide valuable counsel, especially to younger faculty.  Professor Martin received the President’s and Visitors’ Research Prize of the University three times, the J. Shelton Horsley Research Award of the Virginia Academy of Science, and recognition as a fellow of the AAAS. Since about 2005, Bruce and his wife had lived in Palo Alto, California. Bruce passed away in May 2018. 

Paul N. Schatz has published widely in spectroscopic areas ranging from the study of absolute infrared intensities to Magnetic Circular Dichroism (MCD) measurements on matrix isolated species using Synchrotron Radiation in the vacuum ultraviolet, as well as on the theory of mixed valence compounds.

He was a pioneer along with Professor Philip J. Stephens in the development of Magnetic Circular Dichroism (MCD) spectroscopy. This included development of one of the first MCD instruments along with the theoretical interpretation of the novel data produced. These studies started with symmetrical inorganic molecules in solution, then moved on to symmetrical organic molecules, and then to crystals doped with such molecules at pumped liquid helium temperatures (~2.7 K) and as a function of temperature. In later years, matrix isolated species were studied, and pioneering studies on these species were carried out using far ultraviolet frequencies available at the Synchrotron Radiation Center in Stoughton Wisconsin.

Along with Professor S. B. Piepho, a comprehensive book emphasizing the group theoretical aspects of MCD was published in 1983.

In 1978, along with Professors S.B. Piepho and Elmars Krausz, the first rigorous theoretical treatment of the spectroscopy of mixed valence compounds was published. In what later became known as the PKS model, both spectroscopic and dynamic aspects of these compounds were explored in detail.

Richard J. "Dick" Sundberg died on November 1, 2021, in Hickory, N.C., after a period of declining health. A resident of Charlottesville, Virginia, since 1964, he had relocated to North Carolina in May 2021, to be close to daughter Jennifer Sundberg Deal and her family. Born on January 6,  1938, at Sioux Rapids Hospital, Sioux Rapids, Iowa, to Ernest and Rosa (Christensen) Sundberg.

Dick grew up on a farm near Linn Grove, Iowa, the eldest of four surviving children. He attended Linn Grove Consolidated School from kindergarten until graduating as valedictorian of the class of 1955, earning letters and honors in sports and journalism. Dick received his BS degree in Chemistry, with highest distinction, from the University of Iowa in 1959; a distinguished military graduate of the Army ROTC, he received a commission as a 2nd Lieutenant. He completed his PhD in chemistry in August, 1962 at the University of Minnesota, which honored him as a Distinguished Alumnus in 2001. 

After serving two years in the U.S. Army Chemical Corps, Dick began his long and successful academic career in 1964 at the University of Virginia, Charlottesville. An excellent teacher and mentor, productive researcher, and skillful administrator, he had a global impact on the field of organic chemistry. He was the author of a number of papers, reviews and monographs in his field, and co-authored the preeminent graduate text in organic chemistry, Advanced Organic Chemistry, revising it through five editions. But his character as much as his scholarship— his "unyielding intellectual honesty in his approach to science"— impacted his students, post docs and colleagues, who found him "rigorous but patient, firm but  understanding," with a kind and  diligent way of discussing problems and challenges, steadily accompanied by a subtle sense of humor. His service to the University of Virginia included terms as chair of the Department of Chemistry and as Associate Dean of the College of Arts & Sciences. After his May 2016 retirement and appointment as professor emeritus, he continued to teach, and published The Chemical Century: Molecular Manipulation and Its Impact on the 20th Century in 2017. Dick married Lorna Lou Swift, of Madison, South Dakota, on August 19, 1961, and deeply mourned her death in 2001. Together they raised two daughters in Charlottesville while not forgetting where they were from: Most summers saw treks to the Midwest to visit Swift and Sundberg relatives and the family farm in Iowa. Dick's professional success and curiosity also created some special opportunities for the family. His year at Stanford University as an NIH postdoctoral fellow brought family road trips from Virginia to California and back, and visits to dozens of Western state and national parks. A second sabbatical as a Fulbright Scholar moved the family to the suburbs of Paris for a year, and occasioned extensive travel in Europe, including an epic journey to Denmark accompanied by Dick's Iowa-born, Danish-speaking mother, who took her eldest son's family to the home place of her parents, and introduced the Americans to distant but very welcoming Danish cousins. 

Dick believed in working hard, and held onto his Midwestern farm boy values of "waste not, want not." He cultivated a Charlottesville community garden plot for decades, raising his plants from seed and harvesting a bounty of food that he cooked and shared. He was a proud and devoted grandfather, traveling to New Hampshire, North Carolina, and beyond for games, performances, and graduations. He was a faithful worshipper, volunteer, and leader at St. Mark Lutheran Church; a loyal friend; a good neighbor; a person of principles; and the author of many firmly worded letters to elected officials. In later years, he enjoyed the loving company of his friend and companion Erin Craner, in gardening, cooking, traveling, and socializing through The Center and the Colonnade Club. He was brilliant, kind, down to earth, patient, organized, generous, hopeful, and utterly practical. To the last, he loved fresh vegetables and extra dessert. 

He was preceded in death by his parents, Ernest and Rosa (Christensen) Sundberg; infant brother, Roland Sundberg; sister, Sandra Sundberg Bergman; and wife Lorna Swift Sundberg. He is survived by brother, Ron of Linn Grove, Iowa; brother-in-law, Bud Bergman of Waverly, Iowa; brother and sister-in-law, Dale and Pam Sundberg of San Jose, California; daughters and sons-in-law, the Rev. Kelly Sundberg Seaman and David Seaman of Syracuse, N.Y., and Jennifer and Eddie Deal of Hickory, N.C.; grandchildren, Marshall Deal and wife, Alex, Eleanor Seaman, Emily Deal, Juls Sundberg, Ben Seaman, and Sam Deal, as well as nieces, nephews, and extended family in Iowa, California, Florida, and beyond. The family offers great gratitude to the caregivers and staff members of Carolina Caring, for their hospice care, and of Trinity Ridge, Hickory (Lutheran Services Carolinas), his home from August 2021 until his death.

Due to Covid restrictions, a memorial service will be live-streamed from St. Mark Lutheran Church, Charlottesville, on Monday, December 13, 2021, at 3 p.m. Details will be available at https://stmarklutheran.org. A committal service will be held in Iowa in the spring. Memorial gifts and tributes in lieu of flowers, are gratefully welcomed to the Carolina Caring Foundation, 3975 Robinson Rd., Newton, NC 28658, www.carolinacaring.org/give, or St. Mark Lutheran Church, 100 Alderman Rd., Charlottesville VA 22903. Bass-Smith Funeral Home in Hickory is serving the Sundberg family.

An obituary was also published in UVAToday on Friday, December 3, 2021 and can be found here. 

I work with Professor Hunt’s group to develop new methods and instrumentation in mass spectrometry to determine the primary structure of proteins and peptides and apply these methods to the structural characterization of proteins in complex mixtures and to peptides presented to the immune system in association with class I or class II molecules of the major histocompatibility complex.

Kinsuk Acharyya comes to the Chemistry Department from the Physical Research Laboratory in Navrangpura, Ahmedabad, India. He received his Ph.D. from the University of Calcutta in 2008. The thesis title was “Formation of Complex Molecules during Star Formation.” A part of this work was done in Leiden Observatory during his stay as a Greenberg Fellow. Additionally, he worked as a Research Scientist at the University of Virginia between March 2014 and December 2015. Kinsuk joins us as a Visiting Scholar in the lab of Professor Eric Herbst. Please welcome Kinsuk to the Chemistry Department!

Professor Mattson is a member of the faculty at Randolph College in Richmond, VA.  He spends his summers here at UVA teaching Introductory College Chemistry.

My passion is teaching. I am one of the richest people on the planet in that I get paid for doing something I thoroughly enjoy.

In all of my classes, I expect my students to work hard and to strive for excellence.

Accomplishments are not measured in how many details are memorized or in how many processes are mastered. What is important is that a true, quality understanding is achieved, such that the student both sees the world with different eyes and can deal with the challenges in her or his future.

To improve my ability to communicate an understanding of chemistry, I have spent the previous fifteen summers teaching general chemistry at the University of Virginia. A memorable piece of student feedback: “I took the chemistry test. I did not know the answers to all of the questions, but what I did not know I could figure out. I made a perfect 800.”

I was invited to present an ACS Webinar on Creative Problem Solving in Chemical Research(May 5, 2011). The ACS weekly webinar series is designed to connect ACS members and scientific professionals with subject matter experts and global thought leaders in chemical sciences, management, and business on relevant professional issues. In addition to presenting the webinar, I have participated in numerous weeklong ACS Speakers Tours, been invited multiple times to speak to several local ACS sections, was invited to be the 27th Annual Harold Hammond Garretson Speaker at Lynchburg College, and have been invited back dozens of times to talk about problem solving in research to undergraduate students at the University of Virginia. In each case, the audience response has been positive, reflecting both their improved insights and abilities in problem solving and the entertaining nature of the talk.

In addition to teaching general, analytical, and instrumental chemistry and to working both on and off campus with students on research projects, I offer a popular course in creative and critical problem solving. The students greatly improve their abilities to think and to solve problems. A memorable piece of student feedback came from a student after a summer: “After I was working on my job for two weeks everyone was calling me MacGyver because I was so good at problem solving.”

I have spent 23 of the past 25 summers teaching or conducting research at the University of Virginia, James Madison University, the University of North Carolina, and the University of Tennessee. I served as a senior reviewer charged with helping to audit all Advanced Placement chemistry courses in the nation, a consultant for the South Carolina Course Alignment Project, a question writer for the American Dental Exam, an Educational Testing Service chemistry Advanced Placement reader, a National Science Foundation panel member for grant evaluation, a director of the Central Virginia Regional Science Fair, and a master of ceremonies for a high school Academic Competition for Excellence program.

It is very important to me that my students like me, but what is most important is that, 10 years into their futures, they are grateful for what they have learned.

Eduard graduated with a Ph.D. from Clarkson University in May 2019 under the supervision of Dr. Silvana Andreescu. His work there was focused on the use of zebrafish embryos as a biological model (1) for toxicological assessment of nanomaterials and chemical additives employed in industrial and consumer applications, and (2) for in vivo electrochemical monitoring of biomarkers related to oxidative stress and neurotransmission. Eduard joined Dr. Venton’s lab in June 2019 where he currently works on electrochemical detection of neurotransmitters in Drosophila neurological disorder models.

Robert Ellsworth Ireland (Bob) passed away on Saturday, February 4th, 2012 at Sarasota Memorial Hospital in Sarasota Florida. He is survived by his wife Margaret, brother Andrew, and children Mark and Richard. Bob, a world-renowned chemistry professor resided in Sarasota these past seventeen years after retiring from the University of Virginia in 1995.

Bob received an A.B. degree from Amherst College in 1951, followed by a Ph.D. degree under the direction of William S. Johnson from the University of Wisconsin in 1954. He then studied as a NSF postdoctoral fellow in the group of William G. Young at the University of California, Los Angeles, from 1954-56.  He joined the University of Michigan faculty in 1956 and, subsequently moved to the California Institute of Technology in 1965 as Professor of Organic Chemistry.  In 1985, he left Cal Tech to become Director of the Merrell-Dow Research Institute in Strasbourg, France.  After a year in that position he came to the University of Virginia as Chairman of the Chemistry department and was selected as the inaugural Thomas Jefferson Chair Professor of Chemistry.  He assumed emeritus status in 1995. Among his noteworthy achievements as Chair of the Department was a substantial new addition to the Chemistry Building, completed in 1995.

Bob Ireland received numerous awards in recognition of his contributions to organic synthesis. These include a Sloan Fellowship, the Ernest Guenther Award in the Chemistry of Essential Oils, and the ACS Award for Creative Work in Synthetic Organic Chemistry. He was the first to demonstrate the awesome synthetic potential of the enolate Claisen rearrangement, a reaction that now bears his name. His significant impact on synthetic organic chemistry reflected not only his scientific achievements, but also his style of presentation both in seminars and the scientific literature.  His publications are a model of clarity and thoroughness. Early in his career he wrote Organic Synthesis (Prentice Hall, 1969), the first-ever textbook on synthetic strategy. In it one finds the oft quoted passage “Stereochemistry Raises its Ugly Head” as the title of Chapter 5.  The final chapter, “Multistage Synthesis: Logistics and Stereochemistry Combine to Produce Nightmares,” presages the present era of complex molecule construction.  Though nearly 40 years old, the book can still serve as a text for a modern mid-level course in synthetic organic chemistry.

Bob’s lucid and often entertaining lectures in the classroom and at industrial organizations graphically illustrated the power and beauty of multistage organic synthesis and inspired generations of chemists, both young and old. It is worth noting that many of his former students and postdoctoral associates have become successful chemists themselves and now hold leadership positions in industry, government, and universities, both in the U.S. and abroad. His many contributions to education and science will be long remembered.

James A. Marshall, Charlottesville Virginia

Bill Myers was a strict teacher teaching a tough subject — chemistry. He expected discipline. However, he would do everything to help his students succeed. He offered review and practice sessions for his exams. He posted every test he ever administered online so students could practice on old tests right before upcoming tests. He recorded his lectures and told stories in class – often funny ones — to help students relate to and understand his subject matter. In a University of Richmond post, Bruce Matthews, assistant athletic director for academics, noted, “He wasn’t going to let you go until you had it. … He just cared.”

Dr. Myers, who retired last May as professor of chemistry at UR after teaching and researching for 43 years, died Sept. 14 at home in Richmond at age 70. Doctors diagnosed an aggressive brain tumor in August. Family members say that chemistry was in his blood from the beginning. William Howard Myers was born Jan. 26, 1946, in a hospital in the shadow of nuclear reactors at Oak Ridge, Tenn., the secret “Fenced City” that housed the Manhattan Project, which the previous year had produced the atomic bomb that won World War II for the Allies.

His chemist father, Albert Myers, who had overseen the chemical aspects of the site’s uranium enrichment program, left to teach at various universities, including Carson-Newman in Jefferson County, Tenn., where Dr. Myers grew up and graduated with honors from high school in 1963. That summer, his father moved the family to Houston, where he helped establish a new Houston Baptist University. Dr. Myers lived at home and attended HBU, majoring in chemistry, physics and math and taking every science course the school offered. After running out of classes to take, he spent his final semester as an intern at Argonne National Laboratory in Chicago, where he decided he never wanted to live again in a cold city.

In Texas, he met Barbara Sue McElvany, whom he married after graduation from HBU in 1967. They moved to the University of Florida at Gainesville, where she finished earning a sociology degree and he began work on his doctorate in inorganic chemistry. When he drew a low draft number during the Vietnam War, Florida put him on staff to teach freshman chemistry, which deferred him long enough to join the Reserve Officer Training Corps and transition into the officers’ Chemical Corps. In 1972, when he earned his doctorate, he was an Army captain. He served in the Army Reserve until 1981.

In fall 1973, he came to the University of Richmond as an associate professor of chemistry, becoming one of five members of his family to teach college chemistry. Dr. Myers chose teaching over research because he loved people and relished encouraging them to reach their potential, according to family. He had a special spot in his heart for student-athletes in his class.

Leland Melvin, a UR football standout who became a NASA astronaut, noted that, “The whole time I was in space, I reflected on people who had not given up on me. … And he was one of them. Dr. Myers was that person who molded me and guided me and helped me understand what chemistry was all about and brought it to life. “All those traits you want your kids to have, he tried to instill them in us: having good character, being a strong person, believing in yourself. It wasn’t just chemistry but in life.”

When former UR offensive lineman Chris Kondorossy became anxious about passing his dental school entrance exam, Dr. Myers invited him to his home, according to the UR post. “I went out there every Saturday for a whole summer at 7 a.m.,” he said. “He privately tutored me for two or three hours. His wife would make us coffee, and we’d sit at the dining room table. “He would go through the textbook front to back. I’d take practice exams with him. I’d get stuck, and he’d tell me why. That’s probably the only reason I was able to get into VCU [Dental School]. … I’ll never forget that. He was looking out for me. That’s who he was.”

Growing up in a family that loved everything from hymns to symphonic music, Dr. Myers developed a love of music and the arts. Playing the lead in “Amahl and the Night Visitors” as a child in Tennessee started him on his way. In Richmond, he sang in the Richmond Symphony Chorus under James Erb and also had lent his voice to the bass sections of church choirs.

In a letter to Dr. Myers on Sept. 6, Jim Hall, a former UR colleague of Dr. Myers, wrote, “I am so glad that you and Barbara took the time this summer to see your families. There’s nothing more important than family this side of Jordan.”

The family archivist, Dr. Myers converted his grandfather’s weekly family newsletters to print and digital formats, preserving more than 25 years of family history. He also collected, organized and preserved family photos and slides.

With Southern Baptist roots running deep on both sides of his family, “he loved his church,” wrote his brother, James “Jim” Myers of Knoxville, Tennessee. “Bill’s life was spent in service to people.”

A self-taught Bible scholar, Dr. Myers found great joy in leading others to more deeply experience God’s word, family members wrote. He taught everywhere he could – at churches, in Kenya, as well as at seminars and conferences. One Thursday per month since 2012, he had led a Bible study group at Deep Meadow Correctional Center. “He was a remarkable teacher of the Bible, of patience, of compassion, of inclusiveness, of love for all people, of ethical/forthright behavior, of clear thinking, of the importance of organization and scholarship, and of unbridled love for God and his family,” another brother, John Myers of Durham, North Carolina, wrote. “His main concern was about each person’s faith in God and their journey with Christ. His gift to each of them was helping them on that journey.”

Please click here to read more on Bill’s life and legacy.

In addition to his brothers, survivors include his wife of 49 years, Barbara Sue McElvany Myers; a daughter, Kathy Burnette; and a son, Bryan Myers, both of Midlothian; and one grandson.

September 20, 2016, Ellen Robertson, Richmond Times Dispatch

Nikki grew up in Fairfax, Virginia and attended Robinson Secondary School. She will be graduating from UVA with a Bachelor of Arts in Chemistry and a Minor in Psychology. Since August 2015, Nikki has been working in Dr. Thurl Harris’ lab in the Pharmacology Department in the School of Medicine. Dr. Harris’ lab studies how the enzymes involved in lipid metabolic pathways are regulated and how their deregulation can lead to pathological conditions such as obesity and Type II Diabetes. Over the last two years, Nikki has been exploring the stability of lipin-1, a phosphatidic acid phosphatase enzyme in the Kennedy pathway of lipid synthesis and an essential component of triacylglycerol synthesis in adipose tissue. She is working to identify critical residues that regulate lipin-1 ubiquitination and degradation by the proteasome. In light of the obesity epidemic, understanding what regulates lipin-1 stability and its ability to synthesize triacylglycerol may help to illustrate the mechanisms at play in metabolic derangements that physicians see every day. Following graduation, Nikki will be pursuing a Ph.D. in Pharmacology at Columbia University in New York City.

Maggie grew up in Yorktown, VA, but went to high school at the International School of Provence-Alpes-Cote-D’azur in Manosque, France. She is pursuing a Bachelor of Science with Specialization in Biochemistry and a Minor in Religious Studies with a concentration in Islam.

Since May 2015, Maggie has been conducting research with Dr. Cassandra Fraser in the Department of Chemistry. The Fraser Lab studies the synthesis and applications of dual-emissive polymeric materials for oxygen sensing and imaging in biomedical contexts such as tumors, wounds and the brain. The dyes are luminescent difluoroboron b-diketonates that are covalently linked or blended with a biocompatible polymer, such as poly(lactic acid), and precipitated into nanoparticles. Maggie’s projects in the Fraser Lab have a focus on the molecular design of the luminescent boron dyes, with efforts to elucidate the trends for tuning their optical properties.

Outside of the lab, Maggie is an active member of Club Swim as well as Alternative Spring Break at UVA. She has also worked as an Organic Chemistry Lab TA for the past two years. Next year, she will begin pursuing a PhD in Materials Science at the University of North Carolina at Chapel Hill.

Youlim was born in Seoul, South Korea and grew up in Nanjing, China. She is graduating with the Bachelor of Science in Chemistry with the ACS certification from the University.

Youlim is doing research with Professor Ku-Lung (Ken) Hsu in the Department of Chemistry. In order to understand protein function in human disease and physiology, the lab develops novel small molecules that enable molecular analysis of proteins with mechanistically-related reactivity and activity. Her research is focused on the synthesis of new chemical probes to identify novel small molecule binding pockets present in proteins that were previously undetected due to a lack of suitable chemical biology approaches.

She received the Undergraduate Poster Session Award from the American Chemical Society for her research. She also received the Department of Chemistry Award for Excellence in Chemistry. In the fall, she is moving to London for studying Advanced Chemical Engineering.

Daniel grew up in Arlington, Virginia and attended Washington-Lee High School. He will be graduating UVA with a Bachelor of Science in Chemistry with a Specialization in Chemical Physics and a Bachelor of Arts in Physics.

Since August of 2013 Daniel has been working for the Demas research group. His primary focus has been using fluorescence anisotropy to determine binding constants between fluorescent dyes and polyelectrolytes. This method has been shown to allow for more types of binding constants to be measured than using other fluorescent techniques. It also has shown that more complex binding occurs when the polymer concentration is much greater than that of the fluorescent dye.

Outside of lab, Daniel is very involved with UVA’s honor fraternity Phi Sigma Pi as well as being a First Year Seminar Facilitator for the Orientation and New Student Programs office at UVA. He has also served as a physical chemistry teaching assistant for the past year. After graduation, Daniel will be pursuing a Ph.D in nuclear/physical chemistry.

Andrew was born in Silver Spring, MD but attended Oakton High School in Vienna, VA.  He will be graduating from UVA with a Bachelors of Science in Chemistry.  Since January 2012, Andrew has worked in the research group of Dr. W. Dean Harman.

For the majority of his time in the Harman group, Andrew’s project has been to separate the two enantiomers of a chiral tungsten dearomatization core.  To do so, a tartaric acid derivative was first used to create two diastereomeric salts.  From there, the salts were separated via a finely tuned precipitation reaction and then returned to their original state by removing the asymmetric anion with a base.  This research presents a novel approach for the enantio enrichment of chiral organometallic complexes.  Andrew is in the process of submitting a first author publication of this research and hopes to have it published before he graduates.

Outside of academics, Andrew is a dedicated fan of UVA basketball and religiously attends all home games.  After graduation, Andrew will be pursuing a Ph.D in inorganic chemistry.

Emily M. Schutzenhofer is from Stafford, Virginia and is a graduate of Colonial Forge High School. She is an Echols Scholar double majoring in Chemistry with a Specialization in Biochemistry (including the ACS certificate) and Global Development Studies with a concentration in Global Public Health.

Emily conducts research in the lab of Dr. Gary K. Owens in the Robert M. Berne Cardiovascular Research Center. She studies the molecular mechanisms controlling the expression of an embryonic stem cell pluripotency gene, Oct4, in adult smooth muscle cells. Of particular interest to her are those mechanisms involving the vessel environmental cues typically associated with the development and progression of atherosclerotic lesions. The implications of her research include increasing understanding of the development of atherosclerosis, a condition characterized by the hardening of arteries due to the buildup of plaque. End-stage, catastrophic clinical events associated with atherosclerosis include myocardial infarction and stroke, provoked by plaque rupture and major thrombotic events. In addition, her research contributes to the field of knowledge surrounding smooth muscle cell phenotypic switching— control of which could constitute even more widely applicable clinical interventions related to cardiovascular diseases.

Outside of her academic pursuits, Emily proudly serves as the President of the National Leadership Council of the National Society of Collegiate Scholars, one of the nation’s largest and most prestigious college honor societies. She also serves on the Board of Directors for the Society. Emily is an aspiring physician and, as such, is passionate about health, wellness, and service— in addition to her research at the CVRC, she volunteers at the Charlottesville Free Clinic and Remote Area Medical Clinics in underserved regions of the state, has led the Women in Medicine Initiatives interest and advocacy group at UVA, has studied and participated in research on public health interventions in developing nations to improve chronic asthma management, and has founded and leads a service organization, the Virginia Cyber Leo Club at UVA, to help people with disabilities in the local community.

Professor Crews earned his Chemistry B.A. at the University of Virginia in 1986. He then studied in Germany at the University Tübingen with a German Academic Exchange Service (DAAD) fellowship. He earned his Ph.D. in Biochemistry at Harvard University in 1993. After a postdoctoral fellowship with Stuart Schreiber at Harvard he joined the Yale Molecular, Cellular, and Developmental Biology Department faculty. He is also a faculty in the Departments of Chemistry and Pharmacology at Yale. His laboratory investigates chemical approaches to the study of biological questions and is specifically interested in the modes of action of biologically active natural products in order to investigate intracellular signaling pathways and identify novel targets for drug design. In 2006, Prof. Crews received the Friedrich Wilhelm Bessel Award from the Alexander von Humboldt Foundation and, in 2009, he received a Grand Challenges Exploration grant from the Bill & Melinda Gates Foundation.

After graduating from UVa with a B.S in Chemistry, Christopher Ferenc received his law degree from Seton Hall University School of Law, in Newark, NJ. His background in chemistry motivated him to pursue a career in the field of intellectual property law. His professional experience in this field includes interning with a U.S. Magistrate Judge and serving as legal support staff for a U.S. Congressional Committee. Currently, he is employed as a Patent Attorney in Washington, D.C. His practice focuses on the preparation and prosecution of U.S. and foreign patent applications in the chemical arts, as well as providing counsel to clients on issues relating to invalidity, infringement and patentability of U.S. patents.

Brian Pollok, Ph.D., is Life Technologies’ Chief Scientific Officer and Head of Global Science & Innovation based in Carlsbad, CA. He oversees the allocation of more than $350M in R&D funds annually, which has yielded innovative new products in the areas of DNA sequencing, cell analysis, and molecular biology. Dr. Pollok has been with Life Tech since 2003, previously serving as CSO and Head of Global R&D for Invitrogen, and as VP of R&D for the company’s Discovery Sciences unit in Madison, WI. Prior to joining Life Tech, Dr. Pollok served as Sr. VP of R&D and Co-Founder at Ansata Therapeutics in La Jolla (2002-03), as VP of Discovery Biology at Aurora Biosciences/Vertex Pharmaceuticals in San Diego (1997-2002), as Sr. Research Investigator at Pfizer Central Research in Groton, CT (1993-97), and as Assistant Professor of Microbiology and Immunology at Wake Forest University in Winston-Salem, N.C. (1987-93). Dr. Pollok received his B.A. in biology and chemistry from UVa, and his Ph.D. from UAB.  Dr. Pollok held a Damon Runyon Cancer Fund postdoctoral fellowship at the Fox Chase Cancer Center, Philadelphia. He is a member of the editorial board of the journal ASSAY, and is an advisor for several non-profit disease organizations. Dr. Pollok is also a past recipient of an American Cancer Society Faculty Research Award and an Arthritis Foundation Investigator Award.

Dr. Rohlfing is the division director of the Chemical Sciences, Geosciences and Biosciences Division in the Office of Basic Energy Sciences (BES), Office of Science, U.S. Department of Energy. He joined BES in 1997 and served as program manager for the Atomic, Molecular and Optical Sciences program from 2000 to 2003 and as team leader for Fundamental Interactions from 2003 until October 2006, when he became division director. Dr. Rohlfing received his B.S. in Chemistry from the University of Virginia in 1977 and his Ph.D. in Physical Chemistry from Princeton University in 1982. He was a postdoctoral fellow at Exxon Research and Engineering Company and Los Alamos National Laboratory before joining the staff at the Combustion Research Facility at Sandia National Laboratories in 1986.

His research interests include the experimental characterization of transient molecules relevant to combustion processes, linear and nonlinear laser spectroscopies, trace detection of pollutants, molecular beam and mass spectrometric studies of carbon and metal clusters, and vibrational relaxation dynamics. He is the author of approximately 50 peer-reviewed articles, holds membership in the American Chemical Society and the American Physical Society, and is a fellow of the American Association for the Advancement of Science.

Professor Santos earned his B.S. degree from the University of Virginia and continued at UVA for his Ph.D. studies with Timothy Macdonald. After graduating in 2002, he was an NIH Postdoctoral Fellow at Harvard University in the Department of Chemistry and Chemical Biology with Professor Gregory L. Verdine. He is now an assistant professor at Virginia Tech.

Dr. Toney’s career has spanned both the pharmaceutical industry and academia. His academic training is in Chemistry (B.S., University of Virginia; M.S. and Ph.D., Northwestern University) and included research experience as a postdoctoral fellow in Molecular Biology (Dana Farber Cancer Institute, Harvard Medical School) and in Chemical Biology (Massachusetts Institute of Technology).

While at UVA, Dr. Toney conducted research with James Demas, which resulted in a publication (Toney, J.H., Demas, J.N. “Low frequency computerized lock-in amplifier”, Rev. Sci. Inst., 53: 1082-1085 (1982)).

His current scholarship is focused on drug discovery using an interdisciplinary approach. As a Senior Research Fellow at Merck Research Laboratories, he studied a variety of therapeutic targets for which high throughput biochemical assays were developed. He has held the Herman and Margaret Sokol Professorship in Chemistry at Montclair State University and served as Department Chairperson of Chemistry and Biochemistry. During this time, he developed a new graduate course, “Biomolecular Assay Development” that emphasizes teaching of the drug development process, including laboratory and in silico molecular modeling techniques. He is a member of the Editorial Board of Assay and Drug Development Technologies and is a Section Editor of Current Opinion in Investigational Drugs. He has served ten times as a member of the review panel, “Assay Development for High Throughput Molecular Screening” (R03, R21) of the National Institutes of Health, Molecular Libraries and Imaging Initiative. He has published 51 peer reviewed articles and holds six U.S. patents. Dr. Toney joined Kean University in 2008 as Dean of the College of Natural, Applied and Health Sciences. Dr. Toney is Vice President for Academic Affairs (2011- present) at Kean University.   He is currently serving as the Chief Academic Officer (since 2011) and Provost and Vice President for Academic Affairs at Kean University and is continuing interdisciplinary research in drug discovery and has been appointed as Visiting Professor at MIT in the Department of Linguistic and Philosophy for Summer 2019..

Professor Valentine earned her B.S. in Chemistry from the University of Virginia. She conducted undergraduate research with Timothy Macdonald on aluminum inhibition of magnesium-dependent enzymes. After graduating in 1993, she went to MIT to earn a Ph.D. with Steve Lippard. She then conducted her postdoctoral research at Penn State University and, in 2001, joined the Yale Departmet of Chemistry faculty. Her research explores the use of metals in nature and the development of potential titanium-based anticancer drugs. She has received numerous awards including the American Chemical Society PROGRESS/Dreyfus Lectureship Award in 2007 and the Paul D Saltman Award for Metals in Biology in 2009.

Henry Boyter Jr. is the Director of CESTAB (Center for Environmentally Sustainable Textile and Apparel Businesses). His research and industry service is directed at the application of green chemical techniques to textile processes. He is the past Chair of the AATCC RA100 Global Sustainability Technology Research Committee. He is a former member of the Peer Review Group for the American Apparel & Footwear Association (AAFA) Restricted Substances List Task Force and was a Joint Committee (JC) member developing a “Sustainability Assessment for Commercial Furnishings Fabric – NSF/ANSI 336 – 2011” under the Association for Contract Textiles (ACT) and NSF International and was Leader of the Water Group. He is currently involved with an industry task force under the direction of NTA to Update the VPEP form used by industry for chemical information exchange and is working on the Outdoor Industry Association’s (OIA) Eco-Index as a member of the Toxics Subgroup.He is the author of “Environmental Legislation USA” In Environmental Aspects of Textile Dyeing; Woodhead Publishing Limited.

After earning his Ph.D. with Sidney Hecht at the University of Virginia in 2003, Dr. Christopher Claeboe joined the laboratory of David R. Williams at Indiana University for a post-doctoral fellowship that was focused upon the total synthesis of Peloruside A.  In 2005, Dr. Claeboe began his industrial career as a process chemist with Albemarle Corporation, working at their Baton Rouge, LA facility. He then transferred to their South Haven, MI facility in 2008 where he currently resides.  While responsible for the completion of a variety of interesting side projects for the company including the pursuit of his MBA through Indiana University, his work is centered upon the process development and scale-up of custom active pharmaceutical ingredients ().

Professor Garcia received his B.S. degree from the University of California, Davis and then went on to earn his Ph.D. from the University of Virginia under Donald Hunt in 2005.  Ben then was an NIH NRSA Postdoctoral Fellow at the Institute for Genomic Biology at the University of Illinois, Urbana-Champaign with Professor Neil Kelleher.  Currently, he is an Assistant Professor of Molecular Biology and Chemistry, and a member of the Quantitative and Computational Biology program at Princeton University where he has received a 2010 NIH Director’s New Innovator award.

Seth W. Snyder, Ph.D. received a B.A. from University of Pennsylvania in Chemistry and Environmental Studies (1980), a M.S. in Physical Chemistry (1985) and a Ph.D. in Biophysics (1989) from the University of Virginia in James Demas‘ laboratory. He completed a postdoctoral fellowship at Argonne National Laboratory in Photosynthesis. In 1989, he joined Abbott Laboratories, first in Alzheimer’s Disease Research and later in Pharmaceutical Discovery Research. In 1998, Seth rejoined Argonne as the Associate Director of the Chemistry Division where he developed new programs in nanoscience and applied biotechnology. In 2001, he joined the Energy Systems Division as the Section Leader of Chemical and Biological Technology and now Process Technology Research. His team develops new process technologies ranging from tree growth through conversion technologies and product separations. The goal is to improve energy efficiency in production of biofuels and biobased products, CO2 capture, and water treatment. In other technology areas, his team works on plastic recycling, PV materials, geothermal energy, and now battery materials.

He serves as the President of the Council for Chemical Research and as Argonne’s Lab Relationship Manager for the DOE Office of the Biomass Program. He is on the advisory board for several academic centers including: the University of Illinois Urbana-Champaign’s “Center for Advanced Bioenergy Research”, South Dakota’s “Center for Bioprocessing Research”, and the NSF “Center for Bioenergy R&D”. He has published about fifty papers, has twelve patents (issued and pending), has presented or co-authored his research at 75 conferences over the past nine years. He has received three R&D 100 awards and an Outstanding Mentor Award from the DOE FAST Program.

Professor Scott C. Bailey-Hartsel received his B.S. degree from Ohio University and then went on to earn his Ph.D. from the Ohio State University in 1985. He worked as an American Heart Association postdoctoral fellow under David Cafiso from 1985-1987 at UVa and was an NSF/CNRS research fellow at Universite Pierre et Marie Curie and Institut Curie in Paris in 1995 and 96. Scott is currently Professor and immediate past Chair of Chemistry at the University of Wisconsin-Eau Claire, a  member of the ACS Committee on Professional Training (CPT) and was a past member of the Council on Undergraduate Research (CUR). He has received over $1,000,000 of external research funding in drug delivery and peptide research and has published numerous research articles with over 35 different undergraduate co-authors. He was named CASE Professor of the Year for the State of Wisconsin in 2001.

Thomas Irving Crowell III, of Charlottesville, Virginia, died at the age of 101, on Monday, October 10, 2022 at the Martha Jefferson House. He was born on July 9, 1921 in Glen Ridge, New Jersey, the oldest of four sons of Pauline Whittlesey Crowell and Thomas Irving Crowell Jr. In addition to his parents, he was preceded in death by his wife, Mary Wheat Crowell, R.N. (UVA 1950) and his brother, James W. Crowell, of Hanover, New Hampshire.

Tom is survived by two brothers, David A. Crowell of Concord, Massachusetts, and Kenneth L. Crowell and his wife, Marnie Reed Crowell of Sunset, Maine; his two daughters, Lesslie A. Crowell and Mary Allison Crowell, both of Charlottesville, Virginia; two grandsons, Gustave H. Rathe of Howardsville, Virginia, and Thomas C. Rathe and his wife, Sarah Cheshire, of Tuscaloosa, Alabama; sister-in-law, Deborah Crowell of Hanover, New Hampshire; and many nieces and nephews.

Tom attended public schools in his home town of Caldwell, New Jersey and The Putney School in Putney, Vermont. After graduating from Harvard University in 1943, he worked as a chemist on the Manhattan Project of the U.S. Army Corps of Engineers in New York City. At the end of World War II, he entered graduate school at Columbia University (Ph.D. 1948 in the laboratory of Professor Louis P. Hammett). While at Columbia he commuted to Bard College in Annandale-on-Hudson, New York to teach math. He joined the faculty of the University of Virginia in 1948 -but not before spending part of the summer riding a 3 speed bicycle from Manhattan to Quebec. At UVA he taught courses in organic and physical-organic chemistry and served as chairman of the chemistry department from 1957 to 1962.

At the University of Virginia's old Cobb Chemical Laboratory, Tom renovated a large corner room and used his glassblowing experience to make chemical apparatus. His research was in kinetics, the science of observing how fast substances react with each other when mixed, an important means of learning how new products are formed in nature. He and his students did early work using hot molten salts as solvents. He loved working in his laboratory more than sitting at his desk, and after retiring from UVA in 1984, he continued working in his home lab until he was 90. He was employed by Du Pont in Waynesboro, Virginia during the summer og 1951.

Tom was an enthusiastic amateur musician, studying piano from childhood to age 17, accompanying his brother and parents, all violinists. Later, at UVA, he played chamber music with many friends and was piano accompanist for the Gilbert and Sullivan operettas sponsored by the AAUW in Cabell Hall, and for the University Singers.

However, he always considered the French horn his primary instrument. He was president of the Harvard University Orchestra and played in the Massachusetts N.Y.A. Orchestra, the Columbia University Orchestra and the Virginia Symphony. He was a founding member of the University of Virginia Orchestra in 1949 and played in several wind quintets in Virginia, and earlier, in New York City.

Tom was a member of the Charlottesville Municipal Band in 1948 and played for several years with the Senior Center's Second Wind Band.

The study of nature brought Tom immense pleasure, and he spent much of his time hiking alone or with friends in New Hampshire, the Maine woods, and Virginia's Blue Ridge. In his later years, neighbors met him on his daily walks as recently as last spring. He also enjoyed playing tennis and sailing in the waters off Cape Cod. He was a member of the Unitarian Universalist Congregation of Charlottesville; the NAACP; Wednesday Music Club; and the American Chemical Society.

The family wishes to thank Tom's physicians, also the entire staff of the Martha Jefferson House for their kind and expert care.

A memorial service will be held at the Unitarian Universalist Congregation of Charlottesville, 717 Rugby Road, Charlottesville, on Saturday, November 5, 2022, at 3 p.m. Hill and Wood is handling arrangements.

In lieu of flowers memorial donations may be made to Southern Environmental Law Center, 120 Garrett Street, Suite 400, Charlottesville, VA 22902, or to the Martha Jefferson House, 1600 Gordon Avenue, Charlottesville, VA 22903.

Published by Daily Progress from Oct. 16 to Oct. 23, 2022.

Samuel grew up in Hawassa, Ethiopia until he moved to the U.S. and resided in Alexandria, VA in 2013.  He attended T.C. Williams High School. The fact that Samuel has only been in the U.S. a few short years makes his success at UVA, and in general, that much more remarkable. Despite the myriad changes and challenges Samuel faced as his family resettled in northern Virginia, he graduated at the top of his class at T.C. Williams High School and received a full scholarship to the University of Virginia. He will be graduating from UVA with a Bachelor of Science in Chemistry (Specialization in Biochemistry) with ACS Certification and High Distinction.           

Samuel got to know Professor Venton in her Analytical Chemistry Laboratory class, and he was attracted by her research program (Analytical Neurochemistry) which was in line with his aspirations. Venton lab is focused on the development of sensing and sampling techniques for the detection of new molecules in the brain. They aim to study the real-time release of many different neurotransmitters simultaneously to better understand healthy and diseased functioning of the brain. Samuel’s project in the Venton lab has a focus on electrochemical detection of Adenosine and ATP at carbon-fiber microelectrode (CFME) using Fast-Scan Cyclic Voltammetry (FSCV) and surfactant modification to promote selectivity. Adenosine and ATP are indispensable extracellular signaling molecules that are implicated in many disorders including neurodegenerative diseases. Given that the current techniques to measure the concentrations of Adenosine and ATP have slow time response, his project aims to develop a rapid analytical technique to discriminate and quantitate both Adenosine and ATP in real time. Samuel has successfully characterized the detection of Adenosine and ATP, and he is working on discriminating them. 

An Echols scholar, Raven Scholar, and NSCS Scholar, Samuel is a member of the American Medical Student Association; Ethiopian-Eritrean Student Association (EESA at UVA); OneWay Intervarsity Christian Fellowship; Peer Advising Program in the Office of African American Affairs (OAAA) at UVA; and was a Madison House volunteer for Medical Services at UVA Hospital among many others. Outside of the lab, Samuel enjoys listening to Contemporary Christian songs, reading books (especially the Bible), running, playing soccer, playing piano, and learning new languages (he speaks English, Spanish, Amharic, Sidamic and a little French). He has been a small group leader at OneWay Intervarsity Christian Fellowship for the last three years where he plans and leads small group meetings and bonding activities. He has also been a peer advisor for the last two years; he serves as a mentor and advisor to six entering class of first-year and transfer students. Following graduation, Samuel will be doing a research internship (SRIP) at UVA School of Medicine, and eventually, he will be pursuing MD-PhD.

Alicia Frantz is an instructor for Organic Chemistry lecture. She earned a B.S. in Forensic Chemistry and a Ph.D. in Chemistry from Ohio University, Athens, Ohio. She is currently focusing on implementation of guided inquiry based learning in courses with large enrollment. Attending a large school herself, Alicia understands the importance for dedicating more of class time to group work and evidence-based techniques than the traditional lecturing. She is also updating her courses to reflect the growing diversity seen in the classroom, especially nontraditional and first generation students.

Alicia has taught general chemistry and organic chemistry at the University of Rio Grande and Kalamazoo College. She also spent a year as a medicinal chemistry intern at GlaxoSmithKline (GSK) in Research Triangle Park, North Carolina, synthesizing novel compounds in an effort to combat HIV/AIDS.

Mehrdad Shadmehr received his Ph.D. from the University of Arizona. His Ph.D. project was mainly about the design and synthesis of fluorogenic triazabutadiene probes for the labeling of electron-rich aromatic systems. M.S from Southern Illinois University Edwardsville, where he worked on the synthesis of bioactive fluorinated heterocyclic small molecules. B.S from Tehran University. He started his career as a postdoctoral research associate at the University of Nebraska-Lincoln in Professor Cliff Stains research group in 2018. He is currently a postdoctoral research associate at the University of Virginia working on design and synthesis of organic small molecule fluorogenic fluorophores, and design and synthesis of second window near-infrared fluorophores.

Robert grew up in McLean, VA and graduated from Trinity Christian School in Fairfax. He will be graduating from UVA with a Bachelor of Science in Chemistry with Specialization in Biochemistry, with ACS certification and a minor in Psychology.

He joined the lab of Dr. Kevin Lehmann in the Department of Chemistry in the fall of 2017. He has researched the interaction of mercury vapor with light at 405 nm and 254 nm in an attempt to describe the formation of a metastable state. The goal of this project is to test the validity of a kinetic model that would allow mercury to be detected with high fidelity in trace amounts using 405 nm lasers.

Robert enjoys writing and playing tabletop games with his friends. He worked as a volunteer at the UVA Battle Building through Madison House Medical Services for his entire time at UVA. He also recently regained an interest in running.

After graduating, Robert will take a gap year in order to take the MCAT, apply to medical school, and work a job.

Ryan Holland has joined the Department of Chemistry as a Research Associate in the Gunnoe Lab.  Ryan obtained his B.S. in Chemistry at the University of Idaho, then went on to earn his Master’s Degree and Ph.D. in Chemistry at the University of California, San Diego.  His graduate work consisted of studying the small molecule reactivity of Werner-type uranium complexes and the synthesis and characterization of stable metallacyclobutenes and vinylcarbenes.  In the Gunnoe lab, Ryan will be engaged in the development of catalysts relevant to selective chemical oxidations, including the design, preparation and study of new catalysts.

Dr. Jelena Samonina joined the faculty of the UVA Chemistry Department in 2019, where her teaching interests include Organic Chemistry and Chemistry for the Health Sciences. She earned her M.S. and her Ph.D. in Organic Chemistry at Warsaw University. After two postdoctoral trainings at the University of Virginia and at Stanford University she joined the faculty of Washington and Lee University.

Dr. Samonina is passionate about teaching and she designs her courses to motivate and excite students through proactive learning. Her teaching style effectively engages the students and encourage them to develop into future thinkers, inventors, and researchers, whether it be in industry, academia, or public service.

Dr. Samonina’s research interests lie at the interface of Organic and Polymer Chemistry, Nanomaterials and Medicine, and include the development of new concepts in drug delivery, imaging and diagnostics.

Selected Publications

Sawyer C. W., Suffield B. H., Finnefrock A. C., Billings H. M., Uffelman E. S., Zoeller J. R., Dombrowski M. S., Delaney J.K., Dooley K. A., Mass J. L., Samonina J., Whitesell M. M., A John White Alexander Painting at the Virginia Museum of Fine Arts: A Comparison of Imaging Technologies for Resolving a Painting under Another Painting, Journal of American Institute for Concervation. 2019, 58, 37–53.

De Crisci A. G., Samonina-Kosicka J., Gieleciak R., Fleischauer M., Morris R. H., Waymouth R. M., Electrocatalytic Transfer Hydrogenation for Carbon Dioxide (CO2) Activation and Utilization” – 2018. Poster won first prize at the Connaught Global Challenge Symposium on CO2 Solution to Climate Change.

Butler, T.; Morris, W.; Samonina-Kosicka, J.; Fraser, C., Mechanochromic Luminescence and Aggregation Induced Emission of Dinaphthoylmethane β-Diketones and their Boronated Counterparts – ACS Applied Materials & Interfaces. 2016, 8, 1242–1251

Samonina-Kosicka, J.; Weitzel, D. H.; Hofmann, C. L.; Hendargo, H.; Hanna, G.; Dewhirst, M. W.; Palmer, G. M.; Fraser, C. L., Luminescent Difluoroboron β-Diketonate PEG-PLA Oxygen Nanosensors for Tumor Imaging. Macromolecular Rapid Communications 2015, 36, 694-699.

Butler, T.; Morris, W. A.; Samonina-Kosicka, J.; Fraser, C. L., Mechanochromic Luminescence and Aggregation Induced Emission for a Metal-Free Beta-Diketone. Chemical Communications 2015, 51, 3359-3362. - highlighted as "Noteworthy Chemistry" by ACS

DeRosa, C. A.; Samonina-Kosicka, J.; Fan, Z.; Hendargo, H. C.; Weitzel, D. H.; Palmer, G. M.; Fraser, C. L., Oxygen Sensing Difluoroboron Dinaphthoylmethane Polylactide. Macromolecules 2015, 48, 2967-2977.

Samonina-Kosicka, J.; Kańska, M., Synthesis of Selectively Labeled Histidine and its Methylderivatives with Deuterium, Tritium, and Carbon-14. Journal of Labelled Compounds and Radiopharmaceuticals 2013, 56, 317-320.

Biosystems often exhibit subpopulations with phenotypic heterogeneity, as part of their adaptation strategy to genetic and environmental influences. Stratifying this heterogeneity can lead to precision medicine-based approaches for disease diagnostics and for screening subjects towards advanced therapeutics. o quantitatively characterize this heterogeneity over multiple scales (cellular aggregates to cells to extracellular biomarkers), our research group is focused on developing microsystems for biophysical separation and bioanalytical detection. Some of the chief enablers in our group include: (1) soft imprint lithography-based patterning of soft materials as device platforms for enabling microfluidics and cell-laden hydrogel scaffolds; (2)  electrochemical analysis in microfluidic and droplet systems for biomolecular sensing; and (3) label-free single-cell impedance and deformability-based cytometry and sorting, for quantifying the heterogeneity of stem cells, tumor cells, microbials and extracellular vesicles. In this manner, through coupling complex biological samples to microfluidic devices, circuits and signal analysis systems, we seek to impact emerging biomanufacturing approaches for regenerative medicine, as well as detection systems within point-of-care and resource-poor settings for personalizing medical diagnostics and therapeutics.

Representative Publications:

A. Rohani, J.H. Moore, Y-H. Su, V. Stagnaro†, C.A. Warren, N.S. Swami*, “Single-cell electro-phenotyping for rapid assessment of Clostridium difficile heterogeneity under vancomycin treatment at sub-MIC (minimum inhibitory concentration) levels”, Sensors & Actuators B: Chemical (2018), 276, 472-480.  https://www.sciencedirect.com/science/article/pii/S0925400518315752

W. Varhue, L. Langman, M. Kelly-Goss, M. Lataillade, K. L. Brayman, S. Peirce-Cottler, N. S. Swami*, “Deformability-based microfluidic separation of pancreatic islets from exocrine acinar tissue for transplant applications”; Lab Chip (2017) 17, 3682 – 3691. https://pubs.rsc.org/en/content/articlelanding/2017/lc/c7lc00890b

Rohani, A.; Moore, J.; Kashatus, J.; Sesaki, H.; Kashatus, D.; Swami, N. S., “Label-free quantification of intracellular mitochondrial dynamics using dielectrophoresis”;  Anal Chem (2017) 89 (11), pp 5757–5764. http://pubs.acs.org/doi/full/10.1021/acs.analchem.6b04666

A. Rohani, B. J. Sanghavi+, A. Salahi, K. –T. Liao+, C.-F. Chou, N.S. Swami*, “Frequency-selective electrokinetic enrichment of biomolecules in physiological media based on electrical double-layer polarization”; Nanoscale (2017), 9, 12124 – 12131. https://pubs.rsc.org/en/content/articlelanding/2017/nr/c7nr02376f/unauth#!divAbstract

Full List of Publications: https://scholar.google.com/citations?user=iS12HRMAAAAJ&hl=en

Elizabeth is from Burke, Virginia and graduated from Lake Braddock Secondary School. She is graduating a year early with a Bachelor of Science in Chemistry with a specialization in biochemistry.

Elizabeth has been a member of Ken Hsu’s lab in the Department of Chemistry since September 2017. Her project has been based around expressing and purifying the mammalian enzyme, diacylglycerol kinase alpha (DGKα), in a bacterial system. DGKα has been recently recognized as a cancer therapy target due its important roles in regulating cell proliferation pathways. Elizabeth hopes that her project in the Hsu Lab will assist in the characterization of the enzyme in future proteomic experiments.

Outside of lab, Elizabeth played piccolo for the Cavalier Marching Band, worked with a company to train and develop AI software for colon cancer detection, and has been a TA for CHEM 2410 and CHEM 2321. After graduating, she will take a gap year to continue her project with DGK α and plans on pursuing an Md-PhD the following year.

Design and Application of Chemical Biology Tools for Studying Cellular Communication

Our laboratory conducts research at the interface of chemistry and biology by employing new chemical tools and design principles to better understand fundamental aspects of cellular communication. Our research program is centered on three areas involving: 1) synthesis and application of new fluorescent and luminescent bioprobes, 2) new methodologies for constructing designer signaling networks, and 3) new approaches to study protein folding mechanisms in living cells. The long-term goal of these projects is to provide insights into signaling processes associated with normal physiology as well as human diseases such as liver disease, diabetes, and cancer. These multidisciplinary efforts are supported by a combination of approaches including synthesis, protein design and evolution, bioanalytical chemistry, and molecular biology.

Selected Publications:

Zhou, X.; Fang, Y.; Lesiak, L. & Stains, C. I. A Phosphinate-Containing Fluorophore Capable of Selectively Inducing Apoptosis in Cancer Cells. ChemBioChem In Press.

Yuan, F.; Good, G. N.; Zhou, X. & Stains, C. I. Phosphinate-Containing Rhodol and Fluorescein Scaffolds for the Development of Bioprobes. Chem. Commun. 55, 5962-5965 (2019).

Zhou, X.; Lesiak, L.; Lai, R.; Beck, J. R.; Zhao, J.; Elowsky, C. G.; Li, H. & Stains, C. I. Chemoselective Alteration of Fluorophore Scaffolds as a Strategy for the Development of Ratiometric Chemodosimeters. Angew. Chem. Int. Ed. 56, 4197-4200 (2017).

Zhou, X.; Lai, R.; Beck, J. R.; Li, H. & Stains, C. I. Nebraska Red: A Phosphinate-Based Near-Infrared Fluorophore Scaffold for Chemical Biology Applications. Chem. Commun. 52, 12290-12293 (2016).

Beck, J. R.; Lawrence, A.; Tung, A.; Harris, E. N. & Stains, C. I. Interrogating Endogenous Phosphatase Activity with Rationally Designed Chemosensors. ACS Chem. Biol. 11, 284-290 (2016).

Zhao, J.; Nelson, T. J.; Vu, Q.; Truong, T. & Stains, C. I. Self-Assembling NanoLuc Luciferase Fragments as Probes for Protein Aggregation in Living Cells. ACS Chem. Biol. 11, 132-138 (2016).

Xu, B.; Zhou, X. & Stains, C. I. Supramolecular Assembly of an Evolved Miniprotein Host and Fluorogenic Guest Pair. J. Am. Chem. Soc. 137, 14252-14255 (2015).

See More (PubMed)…

See More (Google Scholar)…

Meagan is a Postdoctoral Fellow in the laboratory of Linda Columbus. Her research aims to identify the molecular determinants of the interactions between neisserial Opa proteins and their human receptors in vitro, in order to gain a better understanding of pathogen-host interactions. She obtained a B.S. in Biochemistry and a B.A. in Discrete Mathematics from the University of Nevada, Reno in 2011. Meagan received her PhD in 2018 from Columbia University, where she worked in the laboratory of Filippo Mancia using structural biology techniques such as X-ray crystallography and cryo-EM to study integral membrane enzymes involved in biosynthesis of the bacterial membrane.

Nathan Coutard graduated in 2015 from Université Pierre et Marie Curie in Paris. His end of masters internship was in Pr. Kylie Vincent’s lab at University of Oxford where he studied the regulatory hydrogenase from R. eutropha using in operando spectro-electrochemistry. He then joined the Artero group at Université Grenoble Alpes for a PhD project that aimed to optimize and integrate bio-inspired catalysts in a functional proton exchange membrane fuel cell. In the Gunnoe group, he now works on light alkane oxidation.