Department of Chemistry

My research focuses on using density functional theory and crystal structure prediction to explore new materials, as well as establish surface chemistry behavior.

My research focuses on the design, synthesis, and analysis of paramagnetic Co(II)-based chemical exchange saturation transfer (paraCEST) agents as potential MRI probes, with an overall goal of enhancing the paraCEST sensitivity for pre-clinical translation of this technique.

My work centers on challenging ene-yne and olefin cross metatheses catalyzed by ruthenium carbene catalysts. These highly functionalized dienyl/olefinic cross products were also used in a variety of functionalization reactions to expand their synthetic utility.

My research involves understanding the partition of perfluoroalkyl substances (PFAS) in sorbents used for separation and studying PFAS distribution in heterogeneous environmental and biological samples. To achieve these goals, I use micro separation methodologies for preconcentration which is hyphenated to liquid chromatography-tandem mass spectrometry (LC-MS/MS) to quantify and identify PFAS.

My research is centered around developing stable solid electrolyte interphase (SEI) layers for NaK alloy batteries. To achieve this, we use in situ characterization techniques to determine the composition of the SEI layer. Additionally, I am involved in studying the electro-Fenton process for generating hydroxyl radicals which can help degrade Perfluoroalkyl substances in water.

My research focuses on understanding the molecular factors that enhance a compounds activity against a protein in drug discovery and development. Specifically, I develop and study inhibitors of NADPH Oxidases and Epidermal growth factor receptor, to understand the structural features that enable the development of potent inhibitors against these enzymes for the treatment of several diseases.

My research focuses on synthesis of bench stable manganese(III) precursor complexes for exploring the chemistry of high valent manganese. I investigate the coordination chemistry and reactivity of these complexes in an effort to demonstrate their utility.

My research primarily focuses on the analysis of emerging contaminants and other biomarkers for assessing community health through wastewater-based epidemiology. In particular, the development of effective sample preparation techniques for the analysis of complex aqueous environmental matrices using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and high-resolution mass spectrometry (HRMS) methods. 

Broadly, our research examines the surfaces and interfaces of waste plastic chemistry using visible, mid-, and near-infrared spectroscopy. We seek to gain a more fundamental understanding of these “messy” materials to advance autonomous recycling technologies and enhance the polymer circular economy.

I am interested in researching the development and application of bioorthogonal reagents, particularly hydrazonyl sultones, which are stable tautomers of nitrile imines. My focus is on using these reagents for selective protein modifications in both solutions and live cells to answer biological questions.

My research primarily discusses the synthesis and characterization of highly reactive novel zinc(II) and manganese(II) complexes towards catalytic hydrogenation of selected polar substrates. Currently, I am working on exploring the coordination chemistry of the recently discovered bench-stable Mn(III) trichlorido complex in our lab alongside stabilizing highly reactive Zn(II) and Ti(IV) centers with organophosphorus compounds.

My research focuses on the development of hydrolytically stable phenylenediamine-modified silica particles for chromatographic applications. Another research focus is the study of diarylethene-based photoswitches using liquid and supercritical fluid chromatography.

My research revolves around the role lipids play during necroptosis, particularly investigating the causes of lipid accumulation observed during necroptosis.

My research interests are designing, synthesizing, and characterizing polynuclear metalloporphyrin or porphyrin derivative complexes and using these complexes for electrocatalysts for small molecule activation.

My research focuses on the design and development of novel iron (III) macrocyclic compounds for use at T1 MRI contrast agents. Currently, I am focused on studying how changing a single coordinating pendant effects the relaxivity of these compounds by using variable field strength NMR and MRI. 

Within the Gong lab we’re interested in studying new supramolecular systems. Within this area we have developed novel aromatic oligoamide foldamers and macrocycles for applications in catalysis, transmembrane transport, and molecular recognition. 

My research focuses on the detection of veterinary antimicrobials and their transformation products in agricultural matrices. Our studies primarily involve the development and application of liquid chromatography tandem mass spectrometry (LC-MS/MS) and high-resolution mass spectrometry (HRMS) methods for the analyses of swine manure and simulated agricultural runoff, to better understand the fate of antimicrobials in the agricultural environment.

My current research mainly focuses on batteries and electrocatalysis. I’m also looking forward to incorporating in-situ characterization methods into regular electrochemical testing to better understand the underlying mechanism and improve existing system designs.

Nonadiabatic molecular dynamics can provide atomistic insights into photochemical and photophysical properties of solar energy and photocatalytic materials but modeling such processes for realistic nanoscale materials, comparable to experimental studies, is computationally expensive. In our recent publication, we implemented an optimized and parallelized code to study excited states dynamics in large nanoscale and periodic systems with thousands of atoms such as silicon quantum dots and 2D graphitic carbon nitride.

My research centers around the utilization of crystal engineering to transform the notorious active pharmaceutical ingredient nicotine into a safer, more stable and tunable solid-state material through the use of US FDA generally recognized as safe (GRAS) substances. By crystallizing liquid nicotine with GRAS listed components and engineering these materials to safely degrade, we are able to eliminate the current pitfalls associated with nicotine products and deliver a safer and tunable material to the end user.

My research primary focused on the investigation of dinuclear Mn(I) complexes, their interaction with molecular hydrogen, and their development as hydrogenation catalysts. We have synthesized new dinuclear Mn(I) complexes with bridging phosphides and/or hydrides and conducted detailed mechanistic and kinetic investigations of their ability to split molecular hydrogen and catalytically reduce alkynes to trans-alkenes.

My research deals with developing synthetic strategies towards chiral saturated oxygen heterocycles using copper catalysis. Our developed methodologies allow for the expedient synthesis of biologically relevant compounds.

Rebecca’s current research involves developing new techniques for suspect screening and non-target analysis for contaminants of emerging concern, specifically focusing on per- and polyfluoroalkyl substances (PFAS). This analysis is primarily done in wastewater and biosolids in order to understand mass flows of PFAS within treatment facilities, as well as identification and quantification of unknown PFAS contaminants.

My research focuses on theoretical predications of crystal structures especially hydrides under high pressure. I also study the electronic properties and predict the superconducting properties of new compounds.

My research focuses on synthesis and characterization of iron and manganese coordination complexes towards catalyst design. Exploring the coordination chemistry of these metal complexes allows us to fine tune their reactivities to develop greener chemical reagents that can perform novel chemical transformations.

My research focuses on characterization of photoinduced interfacial charge-transfer dynamics within dual-quantum dot (QD) heterostructures, both colloidal and surface-immobilized, working towards applications in redox photocatalysis. Currently, I am working on characterizing photoelectrochemical hydrogen evolution within Sb₂VO₅/QD heterostructures as possible next generation photocatalysts for solar fuel production.

I am currently working on heterogeneous electrocatalysis to oxidize ethane into acetate. In the future, I would like to try to electrochemically degrade microplastics for environmental remediation applications.

My research focuses on the synthesis and coordination chemistry of novel organomanganese and organoruthenium complexes towards catalysis. Our work seeks to probe the structures of intermediates that are typically implicated in catalysis.

My research consisted of surface analytical chemistry focused on PFASs detection, qualification, and quantification on various polymers, including microplastic pieces collected from the Great Lakes.

I use nonlinear second-order vibrational sum frequency generation spectroscopy along with complimentary techniques in order to elucidate the molecular organization and inter- and intramolecular interactions of neat liquids as well as binary solvent mixtures at hydrophilic and hydrophobic solid/liquid interfaces.

My research focuses on understanding the process of necroptosis, a type of controlled necrosis in terms of its execution, regulation and cellular fate by using different molecular biology techniques.

I have worked on the development of tools that allow us to calculate vibrationally resolved spectra in the near-infrared region for metal complexes with Oh and D­₃ point group symmetry.

I study a novel atmospheric pressure glow discharge that is used for atomic spectroscopy.

My research primarily concerned developing direct methods of analysis and ambient ionization platforms utilizing Fourier transform mass spectrometry. Applications were broad in the fields of –omics studies, ranging from the profiling of abiotic stress responses of soybean to the investigation of animal models of disease by mass spectrometry imaging.

My research focuses in studying the potential applications and capabilities of microwave heating in diverse analytical applications. By implementing systems specifically designed for focused-microwave fields we can greatly accelerate biochemical reactions and, also, expand the capabilities of ionization in mass spectrometry.

My research focuses mainly on utilizing copper-based catalysts towards the development of enantioselective alkene difunctionalisation reactions involving radical group transfer. The ability to combine enantioselectivity with radical group transfers makes this chemistry unique and exceedingly useful for the synthesis of biologically important molecules.

My research centers around the synthesis, characterization, and reactivity of multinuclear catalysts, specifically cofacial porphyrin prisms. We use coordination-driven self-assembly to furnish complex molecular architectures through straightforward syntheses.

I study non-adiabatic quantum dynamics and develop code for Libra, and open source quantum dynamics software package.

My research involves copper-catalysed difunctionalisation of alkenes, primarily using alkyl trifluoroborates as a radical source. I am currently working on enantioselective carboaminations and carboetherifications.

My research focuses on developing methods to analyze persistent organic pollutants in various environmental matrices. The optimized methods are then applied to measure chemical exposures in different populations such as humans and wildlife.

My research is focused on novel synthetic approaches to organic/inorganic hybrid materials using combined principles of polymer chemistry and coordination-driven self-assembly. The goal of this work is to gain a better understanding of interactions at the polymer/inorganic interface, and to obtain highly porous, mechanically robust functional materials that can ultimately be used for industrial applications such as CO₂ capture.

My research focuses on designing, synthesizing and the characterization of Fe(III) macrocyclic complexes as T1 MRI contrast agents. I utilize NMR and MRI methods for characterization of complexes in vitro and in mice.

My research focuses on elucidating lipid involvement in cellular senescence. An improved understanding of lipid function has the potential to introduce druggable lipid-related protein targets, paving the way for new therapeutic strategies.

My research focuses on the development of mass spectrometry based analytical methods than can facilitate identification, structural elucidation and trace quantification of micropollutants in environmental samples.

My research revolves around the synthesis, functionalization and application of 1,3-dienes to ultimately be applied towards the total synthesis of nannocystin A. My recent publication is an example of functionalizing 1,3 dienes that will be utilized en route to my final goal.

My current research involves creating core/shell nanoparticle architectures and enhancing the visible and NIR emission for in vivo imaging and sensing.

My research is about looking at the global occurrence of micropollutants such as pharmaceuticals, pesticides, and other chemicals of emerging concern in the aquatic environment using liquid chromatography mass spectrometry. We collaborate with engineers and other scientists to study the development of environmental antimicrobial resistance, pharmaceutical removal efficiencies of wastewater treatment plants, and the eco-toxicological effects of these compounds on aquatic life.

Labeling mammalian and fungal cells with MRI contrast agents to study the behavior of contrast agents due to compartmentalization in the cells for potential applications in cell therapy imaging and infection diagnosis.

"My research was based in the discovery and development of organic methodologies which can be applied in the synthesis of biologically active molecules."

I am currently preparing, developing novel titration methods for, and assessing the reactivity of solid-supported isocyanide-based metal scavengers for rapid removal of transition metal complexes from solution. These materials are useful in the lab for both arresting transition metal catalysts and removing the toxic – and sometimes detrimentally reactive – metal complexes from solution via filtration.

As a member of the Benedict group I am designing and synthesizing novel stimuli responsive dynamic materials which we can monitor using in situ single crystal X-ray diffraction. Currently I have been exploring colorimetric techniques for testing sonicator homogeneity using imine sonochemistry.

"My research in the Wood lab focuses on the utilization of high resolution mass spectrometry to investigate small molecules in their roles in disease states. Although the majority of my work focuses in metabolomics, investigating stercobilin as a putative biomarker for autism, I have recently started work in the fields of lipidomics and proteomics."

"My research focus is on integrating theory and experiment to the design, synthesis, and characterization of semiconductor heterostructures with programmable light harvesting and charge transfer for photocatalysis."

"My research focuses on the fundamental photophysics of multi-chromophore systems attained using coordination-driven self-assembly, focusing on transition metal chromophores as structural elements of the assembly. By using these supramolecular metallocycles and cages, we can manipulate photophysical properties by the introduction of multiple, communicative excited states as well as changing both radiative and non-radiative rate constants."

"My research is on the functional characterization of lipids during apoptosis. I am particularly interested in how lipid droplet and its lipid components, such as triacylglycerols, are involved in this process."

"My research in Prof. Eva Zurek’s group mainly focuses on predicting the structures of materials at high pressures using the open-source evolutionary algorithm XTALOPT coupled with density functional theory (DFT) calculations. My interests include superconductors, photovoltaic materials, as well as compounds of geologic relevance."

"My research focuses on the synthesis and reactivity of novel organometallic and inorganic compounds with manganese metal centers."

"Understanding the self-assembly of surfactants on the surface of single wall carbon nanotubes using an interfacial sensitive technique Sum frequency generation (SFG), by studying the effects of the nanotube’s diameter, surfactant concentration (SDS) and the counterions (Na⁺, Ca⁺²)."

"My research revolves around exploring the host-guest chemistry of supramolecular coordination compounds."

"My research goals include studying the mechanism and rationally design an inhibitor for an enzyme that confers pathogenicity to Mycobacterium tuberculosis."

"As a N.Y. Sea Grant Scholar, my current research uses liquid chromatography tandem mass spectrometry to investigate the removal efficiency of conventional and advanced wastewater treatment systems for a variety of pharmaceuticals."

"We have developed a methodology for treating quantum nuclear effects within the framework of classical mechanics which allows for their inclusion in molecular dynamics simulations at a fraction of the cost."

"My research focuses on understanding the roles of specific lipids during necroptosis, a unique type of programmed cell death which has been associated with pathologies including neurodegenerative diseases, ischaemia-reperfusion injuries, and cancer."

"My thesis research project focuses on developing new charge carriers for redox flow batteries (RFBs) using molecular-level design principles guided by electrochemical analysis to address stability, solubility and energy density."

"My research focuses on exploring oxygen as a reagent and/or oxidant for copper-catalyzed reactions that are useful for the synthesis of nitrogen and oxygen based heterocycles."

"My graduate research is primarily focused on the synthesis of reactive bottlebrush copolymers and their use in forming macromolecular architectures such as star-brush polymers, network structures, hydrogels, and nanogels."

"My research interest is on the impact of nanoparticles on plant systems and cell lines. I look for metabolomic changes in these systems using liquid chromatography with quadrupole time-of-flight mass spectrometry."

"My research focuses on developing organomanganese catalysts for photochemical water splitting. Our long-term goal is to achieve photocatalytic conversion of water to H₂ and O₂ using earth-abundant single-site organometallic complexes."

Alex’s research focuses on understanding the influence of solvent such as water on the structural and nuclear magnetic resonance properties of heavy element complexes. 

"My research focuses on an alkene difunctionalization reaction using a copper(II) salt as an earth abundant and relatively less toxic metal catalyst." 

"My project focuses on self-assembled cofacial catalysts for the oxygen reduction reaction." 

"The research I do focuses on the synthesis and analysis of paramagnetic transition metal complexes made of macrocyclic ligands with pendent arm to coordinate to the metal ion." 

"My research is focused on better understanding the chemistry involved in molecules being adsorbed to metallic surfaces and what properties exhibited by such systems are useful." 

"My research focuses on the development and evaluation of new stationary phases for liquid and supercritical fluid chromatography." 

"My research focuses on the functional involvement of lipids in different cellular processes, including senescence, using global LC-MS-based lipidomics." 

"My research focuses on designing modified microarrays on porous silicon platforms which can be used for a host of applications including lab-on-chip devices and label-free multi-analyte chemical sensors." 

"My research focuses on the synthesis and mechanistic investigation of methylene-free enyne metathesis." 

"I study photo-induced electron transfer in covalently linked quantum dots donor – metal oxide acceptor assemblies relevant to solar energy conversion by using steady state and time resolved emission spectroscopy." 

"My research is focused on using liquid chromatography mass spectrometry to analyze the metabolites produced by a non-model green microalgae, Ettlia oleoabundans." 

"My research is focused on the development of antifouling and fouling-release hull coatings for the United States Navy." 

"The core of my research is to develop novel copper-catalyzed oxidation of potassium alkyl trifluoroborate salt to generate radical, which is used to functionalize alkenes." 

"My research involved designing photo-responsive multi-analyte chemical sensors on porous silicon platforms through surface functionalization and various printing methods." 

"My research deals with the synthesis of linear block copolymers that self-assemble to form ordered periodic nanostructures." 

"Our goal is to synthesize red-shifted azobenzene amino acids that can be incorporated into protein using amber codon suppression technique, with the aim of achieving spatiotemporal control using visible light." 

"My research is focused on preparation and separation of carbon nanomaterial by high performance liquid chromatography (HPLC) and the development of novel diamond-based stationary phases for separation science." 

Josh uses mass spectrometry and surface analytical techniques as a method for investigating environmental issues of salient public concern.

"As a member of the Benedict Lab I am designing and synthesizing photochromic metal-organic frameworks."

"The research that I do in the Zurek lab comprises the use of evolutionary algorithms and Density Functional Theory to find stable crystal structures at extreme pressures."

"I am working on a project to optimize the properties of anti-cancer drug candidates."

"The main focus of my research was to develop very unique Zn(II)-macrocyclic complexes for the recognition of thymine in non-canonical DNA secondary structures, such as G-quadruplexes and bulges."

"My research focuses on the synthesis of colloidal quantum dots and surface functionalization to build quantum dot-molecule-semiconductor interfaces that promote photoinduced charge-transfer."

"The primary goal of my research is to study various properties of functional materials by colocalized Raman and atomic force microscopy."

"My research primarily focused on the synthesis of chalcogenopyrylium dyes that display a high affinity for the surface of gold nanoparticles."

"I’m currently studying the diffusion of flame retardants in polymeric fabrics using the TOF-SIMs."

"My research project focused on the investigation of the function of a nonreacting phosphate group in enzymatic catalysis using diverse experimental methods such as organic synthesis, kinetic isotope effect measurements and protein X-ray crystallography."

"My research focuses on the analysis and determination of estrogens and their transformation products in environmental matrices such as animal waste, wastewater and surface water."

"I really enjoy the atmosphere of the graduate program at UB, the sense of camaraderie and that everyone is working for the common goal of furthering scientific knowledge."