Faculty members in the Department of Chemistry and Biochemistry have active research programs in a variety of areas, including synthetic inorganic and organic chemistry, materials science, surface science, solid-state chemistry and biological chemistry.
Submissions from 2018
High-affinity and selective detection of pyrophosphate in water by a resorcinarene salt receptor, Ngong Kodiah Beyeh, Isabel Díez, S. Maryamdokht Taimoory, Daniel Meister, Andrew I. Feig, John F. Trant, Robin H.A. Ras, and Kari Rissanen
Metal-Interface-Elastomer (MINE) Structures for Stretchable Electronics, Tricia Carmichael, Akhil Vohra, Kory Schlingman, and R. Stephen Carmichael
Solution Deposition of Conformal Gold Coatings on Knitted Fabric for E-Textiles and Electroluminescent Clothing, Tricia Carmichael, Yunyun Wu, Sara S. Mechael, and Yiting Chen
Preparation of asymmetric phospholipid vesicles for use as cell membrane models, Milka Doktorova, Frederick A. Heberle, Barbara Eicher, Robert F. Standaert, John Katsaras, Erwin London, Georg Pabst, and Drew Marquardt
Intrinsic Curvature-Mediated Transbilayer Coupling in Asymmetric Lipid Vesicles, Barbara Eicher, Drew Marquardt, Frederick A. Heberle, Ilse Letofsky-Papst, Gerald N. Rechberger, Marie Sousai Appavou, John Katsaras, and Georg Pabst
Characterization of self-assembled hybrid siloxane-phosphocholine bilayers, Mark B. Frampton, Michael H.L. Nguyen, Mitchell DiPasquale, Robert Dick, Drew Marquardt, and Paul M. Zelisko
Neutron diffraction from aligned stacks of lipid bilayers using the WAND instrument, Drew Marquardt, Matthias D. Frontzek, Yu Zhao, Bryan C. Chakoumakos, and John Katsaras
Stretchable metal films, Sara S. Mechael, Yunyun Wu, Kory Schlingman, and Tricia Breen Carmichael
An Assessment of Computational Methods for Calculating Accurate Structures and Energies of Bio-Relevant Polysulfur/Selenium-Containing Compounds, Sahar Nikoo, Paul Meister, John Hayward, and James Gauld
Host-guest complexes of C-propyl-2-bromoresorcinarene with aromatic N-oxides*, Rakesh Puttreddy, Ngong Kodiah Beyeh, Pia Jurček, Lotta Turunen, John F. Trant, Robin H.A. Ras, and Kari Rissanen
Host–guest complexes of conformationally flexible C-hexyl-2-bromoresorcinarene and aromatic N-oxides: solid-state, solution and computational studies, Rakesh Puttreddy, Ngong Kodiah Beyeh, S. Maryamdokht Taimoory, Daniel Meister, John F. Trant, and Kari Rissanen
The effect of ionic liquid adsorption on the electronic and optical properties of fluorographene nanosheets, Mehdi Shakourian-Fard, S. Maryamdokht Taimoory, Volodymyr Semeniuchenko, Ganesh Kamath, and John F. Trant
Diels-Alder Click-Cross-Linked Hydrogels with Increased Reactivity Enable 3D Cell Encapsulation, Laura J. Smith, S. Maryamdokht Taimoory, Roger Y. Tam, Alexander E.G. Baker, Niema Binth Mohammad, John F. Trant, and Molly S. Shoichet
Computational, experimental details, and biological raw data accompanying the publication: “The synthesis and characterization of a nanomagnetite with potent antibacterial activity and low mammalian toxicity”, Seyedeh Maryamdokht Taimoory, Abbas Rahdar, Mousa Aliahmad, Fardin Sadeghfar, Mohammad Reza Hajinezhad, Mohammad Jahantigh, Parisa Shahbazi, and John F. Trant
The synthesis and characterization of a magnetite nanoparticle with potent antibacterial activity and low mammalian toxicity, Seyedeh Maryamdokht Taimoory, Abbas Rahdar, Mousa Aliahmad, Fardin Sadeghfar, Mohammad Reza Hajinezhad, Mohammad Jahantigh, Parisa Shahbazi, and John F. Trant
Preparation and Characterization of a Small Library of Thermally-Labile End-Caps for Variable-Temperature Triggering of Self-Immolative Polymers, S. Maryamdokht Taimoory, S. Iraj Sadraei, Rose Anne Fayoumi, Sarah Nasri, Matthew Revington, and John F. Trant
Bring training forward for undergraduate researchers, John Trant
Bamboo-like Chained Cavities and Other Halogen-Bonded Complexes from Tetrahaloethynyl Cavitands with Simple Ditopic Halogen Bond Acceptors, Lotta Turunen, Fangfang Pan, Ngong Kodiah Beyeh, John F. Trant, Robin H.A. Ras, and Kari Rissanen
Submissions from 2017
Roles of the Active Site Zn(II) and Residues in Substrate Discrimination by Threonyl-tRNA Synthetase: An MD and QM/MM Investigation, Mohamed M. Aboelnga and James Gauld
A water-mediated and substrate-assisted aminoacylation mechanism in the discriminating aminoacyl-tRNA synthetase GlnRS and non-discriminating GluRS, Mohamed M. Aboelnga, John Hayward, and James Gauld
Enzymatic Post-Transfer Editing Mechanism of E. coli Threonyl-tRNA Synthetase (ThrRS): A Molecular Dynamics (MD) and Quantum Mechanics/Molecular Mechanics (QM/MM) Investigation, Mohamed M. Aboelnga, John Hayward, and James Gauld
Structural variations in the dithiadiazolyl radicals p-ROC6F4CNSSN (R = Me, Et, nPr, nBu): A case study of reversible and irreversible phase transitions in p-EtOC6F4CNSSN, Yassine Beldjoudi, Rui Sun, Ana Arauzo, Javier Campo, Robert J. Less, and Jeremy M. Rawson
Efficient internalization of TAT peptide in zwitterionic DOPC phospholipid membrane revealed by neutron diffraction, Xiaochao Chen, Shutao Liu, Bruno Deme, Viviana Cristiglio, Drew Marquardt, Richard Weller, Pingfan Rao, Yunqiang Wang, and Jeremy Bradshaw
A Pseudohypervalent Sulfur Intermediate as an Oxidative Protective Mechanism in the Archaea Peroxiredoxin Enzyme ApTPx, Hisham Mohammed Mohammed Dokainish, Daniel J. Simard, and James Gauld
Synthesis and reductive chemistry of bimetallic and trimetallic rare-earth metallocene hydrides with (C5H4SiMe3)1− ligands, Megan T. Dumas, Guo P. Chen, Jasper Y. Hu, Mitchell A. Nascimento, Jeremy M. Rawson, Joseph W. Ziller, Filipp Furche, and William J. Evans
Joint small-angle X-ray and neutron scattering data analysis of asymmetric lipid vesicles, Barbara Eicher, Frederick A. Heberle, Drew Marquardt, Gerald N. Rechberger, John Katsaras, and Georg Pabst
Analysis of Trisiloxane Phosphocholine Bilayers, Mark B. Frampton, Drew Marquardt, Ilse Letofsky-Papst, Georg Pabst, and Paul M. Zelisko
Insights from molecular dynamics on substrate binding and effects of active site mutations in Δ1-pyrroline-5-carboxylate dehydrogenase, Bogdan F. Ion, Mohamed M. Aboelnga, and James Gauld
Synthesis of bis(trithio)phosphines by oxidative transfer of phosphorus(I), Stephanie C. Kosnik, Maxemilian C. Nascimento, Jeremy M. Rawson, and Charles L.B. Macdonald
1H NMR Shows Slow Phospholipid Flip-Flop in Gel and Fluid Bilayers, Drew Marquardt, Frederick A. Heberle, Tatiana Miti, Barbara Eicher, Erwin London, John Katsaras, and Georg Pabst
Inclusion of a dithiadiazolyl radical in a seemingly non-porous solid, Varvara I. Nikolayenko,; Leonard J. Barbour; Ana Arauzo; Javier Campo; Jeremy M. Rawson; and Delia A. Haynes
Endo -/ exo - And halogen-bonded complexes of conformationally rigid C -ethyl-2-bromoresorcinarene and aromatic N -oxides, Rakesh Puttreddy, Ngong Kodiah Beyeh, Robin H.A. Ras, John F. Trant, and Kari Rissanen
The Synthesis and Biological Characterization of Acetal-Free Mimics of the Tumor-Associated Carbohydrate Antigens, Seyed I. Sadraei, Michael R. Reynolds, and John F. Trant
Nicholas Reactions of Alkynyl- and Alkenyltrifluoroborates, Brent St. Onge and James R. Green
Importance of the inter-electrode distance for the electrochemical synthesis of magnetite nanoparticles: Synthesis, characterization, computational modelling, and cytotoxicity, Seyedeh Maryamdokht Taimoory, John F. Trant, Abbas Rahdar, Mousa Aliahmad, Fardin Sadeghfar, and Mahmoud Hashemzaei
Halogen-bonded solvates of tetrahaloethynyl cavitands, Lotta Turunen, Fangfang Pan, Ngong Kodiah Beyeh, Mario Cetina, John F. Trant, Robin H.A. Ras, and Kari Rissanen
Testing High Concentrations of Membrane Active Antibiotic Chlorhexidine Via Computational Titration and Calorimetry, Brad Van Oosten, Drew Marquardt, and Thad A. Harroun
Pretransfer Editing in Threonyl-tRNA Synthetase: Roles of Differential Solvent Accessibility and Intermediate Stabilization, Wanlei Wei, James Gauld, and Gerald Monard
Computational insights into substrate binding and catalytic mechanism of the glutaminase domain of glucosamine-6-phosphate synthase (GlmS), Wanlei Wei, Gerald Monard, and James Gauld
Submissions from 2016
Transparent, Stretchable, and Conductive SWNT Films Using Supramolecular Functionalization and Layer-by-Layer Self-Assembly, Tricia B. Carmichael, Akhil Vohra, R. Stephen Carmichael, Patigul Imin, Mokhtar Imit, Jagan Singh Meena, and Alex Adronov
Reinventing Butyl Rubber for Stretchable Electronics, Tricia B. Carmichael, Akhil Vohra, Heather L. Filiatrault, Stanley Amyotte, R. Stephen Carmichael, Natalie D. Suhan, Siegers Conrad, Lorenzo Ferrari, and Gregory J E Davidson
Developing the Surface Chemistry of Transparent Butyl Rubber for Impermeable Stretchable Electronics, Tricia Carmichael, Akhil Vohra, and R. Stephen Carmichael
Subnanometer Structure of an Asymmetric Model Membrane: Interleaflet Coupling Influences Domain Properties, Frederick A. Heberle, Drew Marquardt, Milka Doktorova, Barbara Geier, Robert F. Standaert, Peter Heftberger, Benjamin Kollmitzer, Jonathan D. Nickels, Robert A. Dick, Gerald W. Feigenson, John Katsaras, Erwin London, and Georg Pabst
Insights from molecular dynamics on substrate binding and effects of active site mutations in Delta1-pyrroline-5-carboxylate dehydrogenase, Bogdan F. Ion, Mohamed M. Aboelnga, and James W. Gauld
Lipid bilayer thickness determines cholesterols location in model membranes, Drew Marquardt, Frederick A. Heberle, Denise V. Greathouse, Roger E. Koeppe, Robert F. Standaert, Brad J. Van Oosten, Thad A. Harroun, Jacob J. Kinnun, Justin A. Williams, Stephen R. Wassall, and John Katsaras
Cholesterol's location in lipid bilayers, Drew Marquardt, Norbert Kučerka, Stephen R. Wassall, Thad A. Harroun, and John Katsaras
Vitamin E circular dichroism studies: Insights into conformational changes induced by the solvent’s polarity, Drew Marquardt, Brad J. Van Oosten, Mikel Ghelfi, Jeffrey Atkinson, and Thad A. Harroun
A chemoenzymatic route to chiral siloxanes, Ravi Naoum, Jacqueline P. Séguin, John F. Trant, Mark B. Frampton, Tomáš Hudlický, and Paul M. Zelisko
Polyisobutylene-paclitaxel conjugates with pendant carboxylic acids and polystyrene chains: Towards multifunctional stent coatings with slow drug release, John F. Trant, Mahmoud M. Abd Rabo Moustafa, Inderpreet Sran, and Elizabeth R. Gillies
Elastomers: Reinventing Butyl Rubber for Stretchable Electronics (Adv. Funct. Mater. 29/2016), Akhil Vohra, Heather L. Filiatrault, Stanley D. Amyotte, R. Stephen Carmichael, Natalie D. Suhan, Conrad Siegers, Lorenzo Ferrari, Gregory J.E. Davidson, and Tricia Breen Carmichael
Morphology-induced defects enhance lipid transfer rates, Yan Xia, Kamil Charubin, Drew Marquardt, Frederick A. Heberle, John Katsaras, Jianhui Tian, Xiaolin Cheng, Ying Liu, and Mu Ping Nieh
Submissions from 2015
Aspirin inhibits formation of cholesterol rafts in fluid lipid membranes, Richard J. Alsop, Laura Toppozini, Drew Marquardt, Norbert Kučerka, Thad A. Harroun, and Maikel C. Rheinstädter
A Self-Assembled, Low-Cost, Microstructured Layer for Extremely Stretchable Gold Films, Tricia Carmichael, Heather L. Filiatrault, R. Stephen Carmichael, and Rachel A. Boutette
Formation of a Stable Iminol Intermediate in the Redox Regulation Mechanism of Protein Tyrosine Phosphatase 1B (PTP1B), Hisham Mohammed Mohammed Dokainish and James Gauld
Substrate-Assisted and Enzymatic Pretransfer Editing of Nonstandard Amino Acids by Methionyl-tRNA Synthetase, Grant B. Fortowsky, Daniel J. Simard, Mohamed M. Aboelnga, and James Gauld
Substrate-Assisted and Enzymatic Pretransfer Editing of Nonstandard Amino Acids by Methionyl-tRNA Synthetase, Grant B. Fortowsky, Daniel J. Simard, Mohamed M. Aboelnga, and James W. Gauld
Macrocyclic oligoesters incorporating a cyclotetrasiloxane ring, Mark B. Frampton, Drew Marquardt, Tim R.B. Jones, Thad A. Harroun, and Paul M. Zelisko
Glyceraldehyde 3-phosphate dehydrogenase (GAPDH) is inactivated by S-sulfuration in vitro, Artur Pawel Jarosz, Wanlei Wei, James Gauld, Janeen Auld, Filiz Ozcan, Mutay Aslan, and Bulent Mutus
α-Tocopherol Is Well Designed to Protect Polyunsaturated Phospholipids: MD Simulations, Xiaoling Leng, Jacob J. Kinnun, Drew Marquardt, Mikel Ghefli, Norbert Kučerka, John Katsaras, Jeffrey Atkinson, Thad A. Harroun, Scott E. Feller, and Stephen R. Wassall
Neutron scattering at the intersection of heart health science and biophysics, Drew Marquardt, Richard J. Alsop, Maikel C. Rheinstädter, and Thad A. Harroun
Asymmetric lipid membranes: Towards more realistic model systems, Drew Marquardt, Barbara Geier, and Georg Pabst
On scattered waves and lipid domains: Detecting membrane rafts with X-rays and neutrons, Drew Marquardt, Frederick A. Heberle, Jonathan D. Nickels, Georg Pabst, and John Katsaras
α-Tocopherols location in membranes is not affected by their composition, Drew Marquardt, Norbert Kučerka, John Katsaras, and Thad A. Harroun
Submissions from 2014
An assessment to evaluate the validity of different methods for the description of some corrosion inhibitors, Mohamed M. Aboelnga, M K. Awad, James Gauld, and M Mustafa
Characterization of a Homolog of DEAD-box RNA Helicases in Toxoplasma gondii as a Marker of Cytoplasmic mRNP Stress Granules., Sirinart Ananvoranich
Sustained Translational Repression of Lactate Dehydrogenase 1 in Toxoplasma gondii Bradyzoites is Conferred by a Small Regulatory RNA Hairpin., Sirinart Ananvoranich
The Potential of Quinoline Derivatives for the Treatment of Toxoplasma gondii Infection., Sirinart Ananvoranich
Utilization of inherent miRNAs in functional analyses of Toxoplasma gondii genes, Sirinart Ananvoranich, Anna K. Crater, and Emad Manni
Odd-even effects in charge transport across n-alkanethiolate-based SAMs, Mostafa Baghbanzadeh, Felice C. Simeone, Carleen M. Bowers, Kung Ching Liao, Martin Thuo, Mahdi Baghbanzadeh, Michael S. Miller, Tricia Breen Carmichael, and George M. Whitesides
Synthesis of Tenuifolin via Intramolecular Nicholas Reaction, Sinisa Djurdjevic and James R. Green
Computational investigations on the catalytic mechanism of maleate isomerase: the role of the active site cysteine residues, Hisham Mohammed Mohammed Dokainish, Bogdan F. Ion, and James Gauld
Activated Cyclopropanes: A Remarkable Breadth of Recent Chemistry, James R. Green and Victor Snieckus
A Multi-Scale Computational Study on the Mechanism of Streptococcus pneumoniae Nicotinamidase (SpNic), Bogdan F. Ion, Erum Kazim, and James Gauld
Novel Analogue of Colchicine Induces Selective Pro-Death Autophagy and Necrosis in Human Cancer Cells, Kristen Elizabeth Larocque, Pamela Ovadje, Sinisa Djurdjevic, Mariam Mehdi, James R. Green, and Siyaram Pandey
The catalytic formation of leukotriene C4: a critical step in inflammatory processes, Corey A. MacDonald, Eric Andre Bushnell, James Gauld, and Russell J. Boyd
Locations of Small Biomolecules in Model Membranes, Drew Marquardt and Thad A. Harroun
Dimyristoyl phosphatidylcholine: A remarkable exception to α-tocopherol's membrane presence, Drew Marquardt, Justin A. Williams, Jacob J. Kinnun, Norbert Kučerka, Jeffrey Atkinson, Stephen R. Wassall, John Katsaras, and Thad A. Harroun
Ultrasmooth gold surfaces prepared by chemical mechanical polishing for applications in nanoscience, Michael S. Miller, Michael Anthony Ferrato, Adrian Niec, Mark C. Biesinger, and Tricia Breen Carmichael
The unusual self-organization of dialkyldithiophosphinic acid self-assembled monolayers on ultrasmooth gold, Michael S. Miller, Ronan R. San Juan, Michael Anthony Ferrato, and Tricia Breen Carmichael
Revisiting the bilayer structures of fluid phase phosphatidylglycerol lipids: Accounting for exchangeable hydrogens, Jianjun Pan, Drew Marquardt, Frederick A. Heberle, Norbert Kučerka, and John Katsaras
Small molecule interaction with lipid bilayers: A molecular dynamics study of chlorhexidine, Brad Van Oosten, Drew Marquardt, Ivana Komljenović, Jeremy P. Bradshaw, Edward Sternin, and Thad A. Harroun
Submissions from 2013
The Observation of Highly Ordered Domains in Membranes with Cholesterol, Clare L. Armstrong, Drew Marquardt, Hannah Dies, Norbert Kučerka, Zahra Yamani, Thad A. Harroun, John Katsaras, An Chang Shi, and Maikel C. Rheinstädter
Insights into the Catalytic Mechanism of Coral Allene Oxide Synthase: A Dispersion Corrected Density Functional Theory Study, Eric Andre Bushnell, Rami Gherib, and James Gauld
Gaining insight into the chemistry of lipoxygenases: a computational investigation into the catalytic mechanism of (8R)-lipoxygenase, Eric Andre Bushnell, Riam Jamil, and James Gauld
A Density Functional Theory Investigation into the Binding of the Antioxidants Ergothioneine and Ovothiol to Copper., Phil De Luna, Eric Andre Bushnell, and James Gauld
A Molecular Dynamics Examination on Mutation-Induced Catalase Activity in Coral Allene Oxide Synthase, Phil De Luna, Eric Andre Bushnell, and James Gauld
Nicholas Reactions in the Synthesis of Dicobalt Dibenzocyclooctyne Complexes, Sinisa Djurdjevic and James R. Green
A Molecular Dynamics and Quantum Mechanics/Molecular Mechanics Study of the Catalytic Reductase Mechanism of Methionine Sulfoxide Reductase A: Formation and Reduction of a Sulfenic Acid, Hisham Mohammed Mohammed Dokainish and James Gauld
Synthesis of polyesters containing disiloxane subunits: Structural characterization, kinetics, and an examination of the thermal tolerance of Novozym-435, Mark B. Frampton, Jacqueline P. Séguin, Drew Marquardt, Thad A. Harroun, and Paul M. Zelisko
Multi-Scale Computational Enzymology: Enhancing Our Understanding of Enzymatic Catalysis, Rami Gherib, Hisham Mohammed Mohammed Dokainish, and James Gauld
New dihexadecyldithiophosphate SAMs on gold provide insight into the unusual dependence of adsorbate chelation on substrate morphology in sams of dialkyldithiophosphinic acids, Ronan R.San Juan, Christopher J. Allan, Muhammad Iqbal, S. Holger Eichhorn, Charles L.B. MacDonald, and Tricia Breen Carmichael
Tocopherol activity correlates with its location in a membrane: A new perspective on the antioxidant vitamin e, Drew Marquardt, Justin A. Williams, Norbert Kučerka, Jeffrey Atkinson, Stephen R. Wassall, John Katsaras, and Thad A. Harroun
Silver nanowire/optical adhesive coatings as transparent electrodes for flexible electronics, Michael S. Miller, Jessica C. O'Kane, Adrian Niec, R. Stephen Carmichael, and Tricia Breen Carmichael
Submissions from 2012
Model Iron−Oxo Species and the Oxidation of Imidazole: Insights into the Mechanism of OvoA and EgtB?, Eric Andre Bushnell, Grant B. Fortowsky, and James Gauld
An assessment of pure, hybrid, meta, and hybrid‐meta GGA density functional theory methods for open‐shell systems: The case of the nonheme iron enzyme 8R–LOX, Eric Andre Bushnell and James Gauld
Molecular Dynamics Investigation into Substrate Binding and Identity of the Catalytic Base in the Mechanism of Threonyl-tRNA Synthetase, Eric Andre Bushnell, WenJuan Huang, Jorge Llano, and James Gauld
Stretchable light-emitting electrochemical cells using an elastomeric emissive material, Heather L. Filiatrault, Gyllian C. Porteous, R. Stephen Carmichael, Gregory J.E. Davidson, and Tricia Breen Carmichael
Alkynedicobalt Complexes in gamma-Carbonyl Cations and Cycloheptynedicobalt Complexes, James R. Green
Alkynedicobalt Complexes in γ-Carbonyl Cations and Cycloheptynedicobalt Complexes, James R. Green