The Chemistry Faculty Research and Publications Series is comprised of books and articles published by Marquette University's chemistry faculty.
Submissions from 2013
Photochemical Electrocyclic Ring Closure and Leaving Group Expulsion from N-(9-oxothioxanthenyl)Benzothiophene Carboxamides, Majher I. Sarker, Tasnuva Shahrin, Mark G. Steinmetz, and Qadir K. Timerghazin
Equivalence of the Ehrenfest Theorem and the Fluid-rotor Model for Mixed Quantum/Classical Theory of Collisional Energy Transfer, Alexander Semenov and Dmitri Babikov
Mixed Quantum/Classical Theory of Rotationally and Vibrationally Inelastic Scattering in Space-fixed and Body-fixed Reference Frames, Alexander Semenov and Dmitri Babikov
Ro-vibrational Quenching of CO (v = 1) by He Impact in a Broad Range of Temperatures: A Benchmark Study Using Mixed Quantum/Classical Inelastic Scattering Theory, Alexander Semenov, Mikhail V. Ivanov, and Dmitri Babikov
Comment on “Synthesis, Characterization, and Structures of Persistent Aniline Radical Cation”: It Is a Protonated Aniline and Not an Aniline Radical Cation, Marat R. Talipov, Jeewantha S. Hewage, Sergey V. Lindeman, James R. Gardinier, and Rajendra Rathore
Protein Control of S-Nitrosothiol Reactivity: Interplay of Antagonistic Resonance Structures, Marat R. Talipov and Qadir K. Timerghazin
Frozen Rotor Approximation in the Mixed Quantum/Classical Theory for Collisional Energy Transfer: Application to Ozone Stabilization, Alexander Teplukhin, Mikhail V. Ivanov, and Dmitri Babikov
Chitosan-cellulose Composite Materials: Preparation, Characterization and Application for Removal of Microcystin, Chieu D. Tran, Simon Duri, Ambra Delneri, and Mladen Franko
Recyclable Synthesis, Characterization, and Antimicrobial Activity of Chitosan-based Polysaccharide Composite Materials, Chieu D. Tran, Simon Duri, and April Harkins
Intramolecular Hydrogen Bonding in CuII Complexes with 2,6-Pyridinedicarboxamide Ligands: Synthesis, Structural Characterization, and Physical Properties, Denan Wang, Sergey V. Lindeman, and Adam T. Fiedler
Rhodium Complexes of a New Structurally Adaptive PNN-Pincer Type Ligand, Sarath Wanniarachchi, Jeewantha S. Hewage, Sergey Lindeman, and James R. Gardinier
Proton-Coupled Electron Transfer at a [Co-OHx]z Unit in Aqueous Media: Evidence for a Concerted Mechanism, Derek J. Wasylenko, Heidi M. Tatlock, Luvdeep S. Bhandari, James R. Gardinier, and Curtis P. Berlinguette
Allosteric Activation of the Par-6 PDZ Via a Partial Unfolding Transition, Dustin S. Whitney, Francis C. Peterson, Evgeni L. Kovrigin, and Brian F. Volkman
Submissions from 2012
A Density Functional Theory and Laser Flash Photolysis Investigation of Carbofuran Photodegradation in Aqueous Medium, A. Atifi, M. Talipov, H. Mountacer, Michael D. Ryan, and M. Sarakha
Improved Potential Energy Surface of Ozone Constructed Using the Fitting by Permutationally Invariant Polynomial Function, M. Ayouz and Dmitri Babikov
Potential Energy and Dipole Moment Surfaces of HCO- for the Search of H- in the Interstellar Medium, M. Ayouz, I. Mikhailov, Dmitri Babikov, M. Raoult, S. Galtier, O. Dulieu, and V. Kokoouline
Structural, Spectroscopic, and Electrochemical Properties of Nonheme Fe(II)-Hydroquinonate Complexes: Synthetic Models of Hydroquinone Dioxygenases, Amanda E. Baum, Heaweon Park, Denan Wang, Sergey Lindeman, and Adam T. Fiedler
Synthesis and Structural Characterization of Iron(II) Complexes with Tris(imidazolyl)phosphane Ligands: A Platform for Modeling the 3-Histidine Facial Triad of Nonheme Iron Dioxygenases, Michael M. Bittner, Jacob Baus, Sergey V. Lindeman, and Adam T. Fiedler
A Synthetic Model of the Putative Fe(II)-Iminobenzosemiquinonate Intermediate in the Catalytic Cycle of o-Aminophenol Dioxygenases, Michael M. Bittner, Sergey V. Lindeman, and Adam T. Fiedler
Complete Thermodynamic and Kinetic Characterization of the Isomer-Specific Interaction Between Pin1-WW Domain and the Amyloid Precursor Protein Cytoplasmic Tail Phosphorylated at Thr668, Soumya De, Alexander I. Greenwood, Monique J. Rogals, Evgueni Kovriguine, Kun Ping Lu, and Linda K. Nicholson
Polysaccharide Ecocomposite Materials: Materials: Synthesis, Characterization and Application for Removal of Pollutants and Bacteria, Simon Duri, Bilal El-Zahab, and Chieu D. Tran
Generation of Molecular Complexity from Cyclooctatetraene Using Dienyliron and Olefin Metathesis Methodology, Mohamed F. El-Mansy, Anobick Sar, Subhabrata Chaudhury, Nathaniel J. Wallock, and William A. Donaldson
Conservation of Flexible Residue Clusters Among Structural and Functional Enzyme Homologues, Donald Gagné, Laurie-Anne Charest, Sébastien Morin, Evgueni Kovriguine, and Nicolas Doucet
Probing Radical Pathways in Electrophilic Addition of Halogens: Classical vs. Bridged Intermediates, Lisa George, Aimable Kalume, and Scott Reid
Spectroscopic and Computational Studies of Matrix-Isolated iso-CXBr3 (X=F,Cl,Br): Structure, Properties, and Photochemistry of Substituted Iso-Tribromomethanes, Lisa George, Aimable Kalume, Scott Reid, Brian J. Esselman, and Robert J. McMahon
A Chemical Proteomic Probe for Detecting Dehydrogenases: Catechol Rhodanine, Xia Ge and Daniel S. Sem
Recent Applications of the Simple Hydrocarbon Cyclooctatetrene as a Starting Material for Complex Molecule Synthesis, Kevin W. Glaeske and William Donaldson
Chemical Proteomics-Based Analysis of Off-target Binding Profiles for Rosiglitazone and Pioglitazone: Clues for Assessing Potential for Cardiotoxicity, Brian R. Hoffmann, Mohamed F. El-Mansy, Daniel S. Sem, and Andrew S. Greene
On the Electronic Spectroscopy of the Iso-Polyhalomethanes, Aimable Kalume, Lisa George, and Scott Reid
Reactivity of tri(2-furyl)phosphine (Pfu3) with [Mn2(CO)10–n(NCMe)n] (n = 0–2): X-ray Structure of mer-[Mn(CO)3(η1-C4H3O)(Pfu3)2], Santana Karmaker, Shishir Ghosh, Shariff E. Kabir, Daniel T. Haworth, and Sergey V. Lindeman
Spectroelectrochemical Elucidation of the Kinetics of Two Closely Spaced Electron Transfers, Robert L. Keesey and Michael D. Ryan
NMR Line Shapes and Multi-State Binding Equilibria, Evgeni Kovrigin
The Fe-type Nitrile Hydratase from Comamonas testosteroni Ni1 Does Not Require an Activator Accessory Protein for Expression in Escherichia coli, Misty L. Kuhn, Salette Martinez, Natalie Gumataotao, Uwe Bornscheuer, Dali Liu, and Richard C. Holz
Scope and Mechanistic Study of the Coupling Reaction of α,β-Unsaturated Carbonyl Compounds with Alkenes: Uncovering Electronic Effects on Alkene Insertion vs Oxidative Coupling Pathways, Ki Hyeok Kwon, Do W. Lee, and Chae S. Yi
Electronic Communication Across Diamagnetic Metal Bridges: A Homoleptic Gallium(III) Complex of a Redox-Active Diarylamido-Based Ligand and Its Oxidized Derivatives, Brendan J Liddle, Sarath Wanniarachchi, Jeewantha S. Hewage, Sergey Lindeman, Brian Bennett, and James R. Gardinier
The influence of α-zirconium phosphate on fire performance of EVA and PS composites, Hongdian Lu and Charles A. Wilkie
Experimental Documentation of the Structural Consequences of Hydrogen-Bonding Interactions to the Proximal Cysteine of a Cytochrome P450, Piotr J. Mak, Yuting Yang, Sangchoul Im, Lucy A. Waskell, and James R. Kincaid
On Pi-Stacking, CH/Pi, and Halogen Bonding in Halobenzene Clusters: Resonant 2-Photon Ionization Studies of Chlorobenzene, Lloyd Muzangwa, Silver Nyambo, Brandon Uhler, and Scott Reid
Charge Delocalization in Self-Assembled Mixed-Valence Aromatic Cation Radicals, Tushar Navale, Khushabu Thakur, Vijay Vyas, Shriya Wadumethrige, Ruchi Shukla, Sergey V. Lindeman, and Rajendra Rathore
Assignments of backbone 1H, 13C and 15N resonances in H-Ras (1–166) complexed with GppNHp at physiological pH, Casey O'Connor and Evgueni Kovriguine
Characterization of the Second Ion-Binding Site in the G Domain of H-Ras, Casey O'Connor and Evgueni Kovriguine
Fe(II) Complexes That Mimic the Active Site Structure of Acetylacetone Dioxygenase: O2 and NO Reactivity, Heoweon Park, Michael M. Bittner, Jacob Baus, Sergey Lindeman, and Adam T. Fiedler
Photochemistry of Furyl- and Thienyldiazomethanes: Spectroscopic Characterization of Triplet 3-Thienylcarbene, Caroline R. Pharr, Laura A. Kopff, Brian Bennett, Scott Reid, and Robert J. McMahon
Spectroscopy and Dynamics of the Predissociated, Quasi-linear S2 State of Chlorocarbene, Chong Tao, Craig A. Richmond, Calvin Mukarakate, S. H. Kable, Eric C. Brown, Richard Dawes, Phalgun Lolur, and Scott Reid
Structural Characterization of Zn(II)-, Co(II)-, and Mn(II)-loaded Forms of the argE-encoded N-acetyl-L-ornithine Deacetylase from Escherichia coli, Ye Tao, Jacob E. Shokes, Wade C. McGregor, Robert A. Scott, and Richard C. Holz
On the Electronic Spectroscopy of Closed Shell Cations Derived From Resonance Stabilized Radicals: Insights From Theory and Franck-Condon Analysis, T. P. Troy, S. H. Kable, T. W. Schmidt, and Scott Reid
Visible and Infrared Spectroelectrochemistry of Cobalt Porphinones and Porphinediones, Florentina Tutunea and Michael D. Ryan
Syntheses and Electronic Properties of Rhodium(III) Complexes Bearing a Redox-Active Ligand, Sarath Wanniarachchi, Brendan J Liddle, Brandon Kizer, Jeewantha S. Hewage, Sergey Lindeman, and James R. Gardinier
Submissions from 2011
Analysis of Binding Site Hot Spots on the Surface of Ras GTPase, Greg Buhrman, Casey O'Connor, Brandon Zerbe, Bradley M. Kearney, Raeanne Napoleon, Elizaveta A. Kovrigina, Sandor Vajda, Dima Kozakov, Evgueni Kovriguine, and Carla Mattos
Removal of 2,4-dichlorophenoxyacetic Acid by Calcined Zn–Al–Zr Layered Double Hydroxide, Allen Chaparadza and Jeanne Hossenlopp
Calcium Carbonate and Ammonium Polyphosphate-based Flame Retardant Composition for Polypropylene, Sarang Deodhar, Kadhiravan Shanmuganathan, Qinguo Fan, Charles A. Wilkie, Maurius C. Costache, Nicholas A. Dembsey, and Prabir K. Patra
Alteration of Hydrogen Bonding in the Vicinity of Histidine 48 Disrupts Millisecond Motions in RNase A, Nicolet Doucet, Gennady Khirich, Evgueni Kovriguine, and J. Patrick Loria
Complete Determination of the Pin1 Catalytic Domain Thermodynamic Cycle by NMR Lineshape Analysis, Alexander I. Greenwood, Monique J. Rogals, Soumya De, Kun Ping Lu, Evgueni Kovriguine, and Linda K. Nicholson
Stereoselective Catalytic Synthesis of Tetrasubstituted Olefins from the Intermolecular Conjugate Addition of Simple Alkenes to α,β-Unsaturated Carbonyl Compounds, Ki Hyeok Kwon, Do W. Lee, and Chae S. Yi
Reactivity of acyclic (pentadienyl)iron(1+) cations: Synthetic studies directed toward the frondosins, Do W. Lee, Rajesh K. Pandey, Sergey Lindeman, and William Donaldson
Fire Performance of Flame Retardant Polypropylene and Polystyrene Composites Screened with Microscale Combustion Calorimetry, Hongdian Lu and Charles A. Wilkie
Defining CYP3A4 Structural Responses to Substrate Binding. Raman Spectroscopic Studies of a Nanodisc-incorporated Mammalian Cytochrome P450, Piotr J. Mak, Ilia G. Denisov, Yelena V. Grinkova, Stephen G. Sligar, and James R. Kincaid
Pyrazolyl Methyls Prescribe the Electronic Properties of Iron(II) Tetra(pyrazolyl)lutidine Chloride Complexes, Tyler James Morin, Sarath Wanniarachchi, Chengeto Gwengo, Vitales Makura, Heidi M. Tatlock, Sergey Lindeman, Brian Bennett, Gary J. Long, Fernande Grandjean, and James R. Gardinier
An In Vitro Spectroscopic Analysis to Determine the Chemical Composition of the Precipitate Formed by Mixing Sodium Hypochlorite and Chlorhexidine, James B. Nowicki and Daniel S. Sem
Direct Patterning of a Cyclotriveratrylene Derivative for Directed Self-assembly of C60, Zachary R. Osner, Dorjderem Nyamjav, Richard C. Holz, and Daniel P. Becker
Synthesis and Characterization of Fe(II) β-Diketonato Complexes with Relevance to Acetylacetone Dioxygenase: Insights into the Electronic Properties of the 3-Histidine Facial Triad, Heaweon Park, Jacob Baus, Sergey V. Lindeman, and Adam T. Fiedler
Copper-Catalyzed Arylation of 1H-Perfluoroalkanes, Ilya Popov, Sergey V. Lindeman, and Olafs Daugulis
Synthesis of Hydroxy- and Polyhydroxy-Substituted 1,3-Diaminocyclohexanes, Anobick Sar, Sergey Lindeman, and William Donaldson
EVA-Layered Double Hydroxide (Nano)Composites: Mechanism of Fire Retardancy, Xiaolan Wang, Rajendra Rathore, Ponusa Songtipya, Maria del Mar Jimenez-Gasco, Evangelos Manias, and Charles A. Wilkie
Preparation, Properties, and Reactivity of carbonylrhodium(I) Complexes of di(2-pyrazolylaryl)amido-pincer Ligands, Sarath Wanniarachchi, Brendan J. Liddle, Sergey V. Lindeman, and James R. Gardinier
Using Sterics to Promote Reactivity in fac-Re(CO)3 Complexes of Some ‘Non-Innocent’ NNN-Pincer Ligands, Sarath Wanniarachchi, Brendan J Liddle, John Toussaint, Sergey Lindeman, Brian Bennett, and James R. Gardinier
Submissions from 2010
Thermal Degradation of High-Temperature Fluorinated Polyimide and its Carbon Fiber Composite, Andrea D. Adamczak, Adam A. Spriggs, Danielle M. Fitch, Walid Awad, Charles A. Wilkie, and Jaime C. Grunlan
Investigation of the Thermal Degradation of Polyurea: The Effect of Ammonium Polyphosphate and Expandable Graphite, Walid Awad and Charles A. Wilkie
Resin-modified Glass-ionomer Setting Reaction Competition, David W. Berzins, S. Abey, M. C. Costache, Charles A. Wilkie, and H. W. Roberts
High-throughput Method for Estimating the Time to Sustained Ignition of Polystyrene-Clay Nanocomposites Based on Thermogravimetric Analysis, Marius C. Costache and Charles A. Wilkie
Affinity capillary electrophoretic study of K+/Na+ selectivity of hexaarylbenzene-based polyaromatic receptor, Sille Ehala, Rajendra Rathore, Emanuel Makrlik, Petr Toman, and Václav Kašička
Immobilization of the Aminopeptidase from Aeromonas proteolytica on Mg2+/Al3+ Layered Double Hydroxide Particles, Steven T. Frey, Stephanie L. Guilmet, Richard G. Egan III, Alyssa Bennett, Sarah R. Soltau, and Richard C. Holz
Regioselective Formation of α-Vinylpyrroles from the Ruthenium-Catalyzed Coupling Reaction of Pyrroles and Terminal Alkynes Involving C–H Bond Activation, Ruili Gao and Chae S. Yi
X-ray Structure of mer-[Mo(CO)3(PPh3)(κ2-dppm)], Shishir Ghosh, Shariff E. Kabir, Faranza K. Camellia, Md. Kamal Hossain, Daniel T. Haworth, Sergey V. Lindeman, Tasneem A. Siddiquee, and Dennis W. Bennett
The Rational Synthesis of Tetranuclear Heterometallic Butterfly Clusters: Reactions of [M2(CO)6(μ-pyS)2] (M = Re, Mn) with Group VIII Metal Carbonyls, Shishir Ghosh, Kamrun N. Khanam, G. M. Golzar Hossain, Daniel T. Haworth, Sergey V. Lindeman, Graeme Hogarth, and Shariff E. Kabir
Mixed-metal Cluster Synthesis: [Re(CO)3(μ-S2NC7H4)]2 as a Precursor for tri- and tetranuclear 2-mercaptobenzothiolato Capped Clusters, Shishir Ghosh, Kamrun N. Khanam, Md. Kamal Hossain, G. M. Golzar Hossain, Daniel T. Haworth, Sergey V. Lindeman, Graeme Hogarth, and Shariff E. Kabir
Inhibitors of Nα-acetyl-l-ornithine Deacetylase: Synthesis, Characterization and Analysis of their Inhibitory Potency, J. Hlavacek, J. Picha, V. Vanek, J. Jiracek, J. Slaninova, V. Fucik, M. Budesinsky, Danuta M. Gillner, and Richard C. Holz
Isomerization as a Key Path to Molecular Products in the Gas-Phase Decomposition of Halons, Aimable Kalume, Lisa George, and Scott Reid
Chelate-Assisted Oxidative Coupling Reaction of Arylamides and Unactivated Alkenes: Mechanistic Evidence for Vinyl C–H Bond Activation Promoted by an Electrophilic Ruthenium-Hydride Catalyst, Ki Hyeok Kwon, Do W. Lee, and Chae S. Yi
Chain-Selective and Regioselective Ethylene and Styrene Dimerization Reactions Catalyzed by a Well-Defined Cationic Ruthenium-Hydride Complex: New Insights on the Styrene Dimerization Mechanism, Do W. Lee and Chae S. Yi
Tricarbonylrhenium(I) and Manganese(I) Complexes of 2-(pyrazolyl)-4-toluidine, Brendan J Liddle, Sarath Wanniarachchi, Sergey V. Lindeman, and James R. Gardinier
Study on Intumescent Flame Retarded Polystyrene Composites with Improved Flame Retardancy, Hongdian Lu and Charles A. Wilkie
Synergistic Effect of Carbon Nanotubes and Decabromodiphenyl Oxide/Sb2O3 in Improving the Flame Retardancy of Polystyrene, Hongdian Lu and Charles A. Wilkie
Anion Exchange Kinetics of Nanodimensional Layered Metal Hydroxides: Use of Isoconversional Analysis, Stephen Majoni and Jeanne Hossenlopp
The Effect of Boron-Containing Layered Hydroxy Salt (LHS) on the Thermal Stability and Degradation Kinetics of Poly (Methyl Methacrylate), Stephen Majoni, Shengpei Su, and Jeanne Hossenlopp
Defining the Structural Consequences of Mechanism-Based Inactivation of Mammalian Cytochrome P450 2B4 Using Resonance Raman Spectroscopy, Piotr J. Mak, Haoming Zhang, Paul F. Hollenberg, and James R. Kincaid
Breaking the Cycle: Impact of Sterically-Tailored Tetra(pyrazolyl)lutidines on the Self-Assembly of Silver(I) Complexes, Tyler James Morin, Andrew Merkel, Sergey V. Lindeman, and James R. Gardinier
Structural Basis for Catalysis by the Mono- and Dimetalated Forms of the dapE-Encoded N-succinyl-L,L-Diaminopimelic Acid Desuccinylase, Boguslaw P. Nocek, Danuta Gillner, Yao Fan, Richard C. Holz, and Andzrej Joachimiak
Direct Patterning of Silanized-Biomolecules on Semiconductor Surfaces, Dorjderem Nyamjav and Richard C. Holz
Immobilization of Motile Bacterial Cells via Dip-pen Nanolithography, Dorjderem Nyamjav, Sergey Rozhok, and Richard C. Holz
NMR Dynamics Investigation of Ligand-Induced Changes of Main and Side-Chain Arginine N-H’s in Human Phosphomevalonate Kinase, Andrew L. Olson, Sheng Cai, Timothy J. Herdendorf, Henry M. Miziorko, and Daniel S. Sem
A Shortened Synthesis of Optically Pure Tricarbonyl[methyl (2E,4E)-6-oxo-2,4-hexadienoate]Iron Leading to Improved Yield, Rajesh K. Pandey, Sergey Lindeman, and William Donaldson
Thermal Degradation Studies on PMMA–HET Acid Based Oligoesters Blends, Thangamani Rajkumar, Chinnaswamy Thangavel Vijayakumar, Palanichamy Sivasamy, Bojja Sreedhar, and Charles A. Wilkie
Reactions of 1,1-Diiodo-3,4-benzocyclopentatellurane with Sulfur and Selenium Ligands: X-Ray Structure of a Dicationic Telluraheterocycle, [C8H8Te{S=C(Nme2)2}2][BF4]2, Martin D. Rudd, Nathan Edeler, Emily Ricks, and Sergey V. Lindeman
De novo synthesis of polyhydroxyl aminocyclohexanes, Anobick Sar, Sergey Lindeman, and William Donaldson
An In Vitro Spectroscopic Analysis to Determine Whether Para-Chloroaniline Is Produced from Mixing Sodium Hypochlorite and Chlorhexidine, John Thomas and Daniel S. Sem
Synthesis of N-Succinyl-L,L-Diaminopimelic Acid Mimetics Via Selective Protection, V. Vanek, J. Picha, M. Budesinsky, M. Sanda, J. Jiracek, Richard C. Holz, and J. Hlavacek
The Utility of Nanocomposites in Fire Retardancy, Linjiang Wang, Xuejun He, and Charles A. Wilkie
A Comparison of the Fire Retardancy of Poly(Methyl Methacrylate) Using MMT, LDH and Kaolinite, Linjiang Wang, Xiangli Xie, Shengpei Shu, Jiangxiang Feng, and Charles A. Wilkie