The Chemistry Faculty Research and Publications Series is comprised of books and articles published by Marquette University's chemistry faculty.

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Submissions from 2014

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Enantiomeric Selective Adsorption of Amino Acid by Polysaccharide Composite Materials, Simon Duri and Chieu D. Tran

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Acrylamide Production Using Encapsulated Nitrile Hydratase from Pseudonocardia thermophila in a Sol–gel Matrix, Salette Martinez, Misty L. Kuhn, James T. Russell, Richard C. Holz, and Timothy E. Elgren

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Synergistic Adsorption of Heavy Metal Ions and Organic Pollutants by Supramolecular Polysaccharide Composite Materials from Cellulose, Chitosan and Crown Ether, Tamutsiwa M. Mututuvari and Chieu D. Tran

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Accurate Calculations of Rotationally Inelastic Scattering Cross Sections Using Mixed Quantum/Classical Theory, Alexander Semenov and Dmitri Babikov

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Mixed Quantum/Classical Calculations of Total and Differential Elastic and Rotationally Inelastic Scattering Cross Sections for Light and Heavy Reduced Masses in a Broad Range of Collision Energies, Alexander Semenov and Dmitri Babikov

Submissions from 2013

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Global Permutationally Invariant Potential Energy Surface for Ozone Forming Reaction, Mehdi Ayouz and Dmitri Babikov

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Generation of Molecular Complexity from Cyclooctatetraene: Preparation of Optically Active Protected Aminocycloheptitols and Bicyclo[4.4.1]undecatriene, Mohamed F. El-Mansy, Anobick Sar, Sergey Lindeman, and William Donaldson

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Lysine Biosynthesis in Bacteria: A Metallodesuccinylase as a Potential Antimicrobial Target, Danuta Gillner, Daniel P. Becker, and Richard C. Holz

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Identification of an Active Site-bound Nitrile Hydratase Intermediate through Single Turnover Stopped-flow Spectroscopy, Natalie Gumataotao, Misty L. Kuhn, Natalia Hajnas, and Richard C. Holz

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On Molecular Origin of Mass-Independent Fractionation of Oxygen Isotopes in the Ozone Forming Recombination Reaction, Mikhail V. Ivanov and Dmitri Babikov

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Concerted and Sequential Pathways of Proton-coupled Electron Transfer in Hydrogen Halide Elimination, Aimable Kalume, Lisa George, Nicole Cunningham, and Scott Reid

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Identification of a Histidine Metal Ligand in the argE-Encoded N-Acetyl-L-Ornithine Deacetylase from Escherichia coli, Wade C. McGregor, Danuta Gillner, Sabina I. Swierczek, Dali Liu, and Richard C. Holz

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Case of the Missing Isomer: Pathways for Molecular Elimination in the Photo-induced Decomposition of 1,1-Dibromoethane, Scott Reid

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Reactive Pathways in the Chlorobenzene–Ammonia Dimer Cation Radical: New Insights from Experiment and Theory, Scott Reid

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π-Stacking, C–H/π, and Halogen Bonding Interactions in Bromobenzene and Mixed Bromobenzene–Benzene Clusters, Scott Reid

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Photoisomerization and Photoinduced Reactions in Liquid CCl4 and CHCl3, Scott Reid, Fawzi Abou-Chahine, Thomas J. Preston, Greg T. Dunning, Andrew J. Orr-Ewing, Gregory M. Greetham, Ian P. Clark, and Mike Towrie

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No Longer a Complex, Not Yet a Molecule: A Challenging Case of Nitrosyl O-Hydroxide, HOON, Majher I. Sarker, Tasnuva Shahrin, Mark G. Steinmetz, and Qadir K. Timerghazin

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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

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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

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Equivalence of the Ehrenfest Theorem and the Fluid-rotor Model for Mixed Quantum/Classical Theory of Collisional Energy Transfer, Alexander Semenov and Dmitri Babikov

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Mixed Quantum/Classical Theory of Rotationally and Vibrationally Inelastic Scattering in Space-fixed and Body-fixed Reference Frames, Alexander Semenov and Dmitri Babikov

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Protein Control of S-Nitrosothiol Reactivity: Interplay of Antagonistic Resonance Structures, Marat R. Talipov and Qadir K. Timerghazin

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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

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Chitosan-cellulose Composite Materials: Preparation, Characterization and Application for Removal of Microcystin, Chieu D. Tran, Simon Duri, Ambra Delneri, and Mladen Franko

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Recyclable Synthesis, Characterization, and Antimicrobial Activity of Chitosan-based Polysaccharide Composite Materials, Chieu D. Tran, Simon Duri, and April Harkins

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Rhodium Complexes of a New Structurally Adaptive PNN-Pincer Type Ligand, Sarath Wanniarachchi, Jeewantha S. Hewage, Sergey Lindeman, and James R. Gardinier

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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

Submissions from 2012

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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

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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

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Polysaccharide Ecocomposite Materials: Materials: Synthesis, Characterization and Application for Removal of Pollutants and Bacteria, Simon Duri, Bilal El-Zahab, and Chieu D. Tran

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Generation of Molecular Complexity from Cyclooctatetraene Using Dienyliron and Olefin Metathesis, Mohamed F. El-Mansy, Anobick Sar, Subhabrata Chaudhury, Nathaniel J. Wallock, and William A. Donaldson

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Conservation of Flexible Residue Clusters Among Structural and Functional Enzyme Homologues, Donald Gagné, Laurie-Anne Charest, Sébastien Morin, Evgueni Kovriguine, and Nicolas Doucet

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Conservation of Flexible Residue Clusters among Structural and Functional Enzyme Homologues, Donald Gagné, Laurie-Anne Charest, Sébastien Morin, Evgueni Kovriguine, and Nicolas Doucet

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Chemical Physics Letters, Lisa George, Aimable Kalume, and Scott Reid

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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

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Recent Applications of the Simple Hydrocarbon Cyclooctatetrene as a Starting Material for Complex Molecule Synthesis, Kevin W. Glaeske and William Donaldson

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On the Electronic Spectroscopy of the Iso-Polyhalomethanes, Aimable Kalume, Lisa George, and Scott Reid

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NMR Line Shapes and Multi-State Binding Equilibria, Evgeni Kovrigin

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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

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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

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The influence of α-zirconium phosphate on fire performance of EVA and PS composites, Hongdian Lu and Charles Wilkie

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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

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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

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Characterization of the Second Ion-Binding Site in the G Domain of H-Ras, Casey O'Connor and Evgueni Kovriguine

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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

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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

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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

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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

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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

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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

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Removal of 2,4-dichlorophenoxyacetic acid by calcined Zn–Al–Zr layered double hydroxide, Allen Chaparadza and Jeanne Hossenlopp

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Calcium Carbonate and Ammonium Polyphosphate-based Flame Retardant Composition for Polypropylene, Sarang Deodhar, Kadhiravan Shanmuganathan, Qinguo Fan, Charles Wilkie, Maurius C. Costache, Nicholas A. Dembsey, and Prabir K. Patra

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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

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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

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Reactivity of acyclic (pentadienyl)iron(1+) cations: Synthetic studies directed toward the frondosins, Do W. Lee, Rajesh K. Pandey, Sergey Lindeman, and William Donaldson

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Fire Performance of Flame Retardant Polypropylene and Polystyrene Composites Screened with Microscale Combustion Calorimetry, Hongdian Lu and Charles Wilkie

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Direct Patterning of a Cyclotriveratrylene Derivative for Directed Self-assembly of C60, Zachary R. Osner, Dorjderem Nyamjav, Richard C. Holz, and Daniel P. Becker

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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 Wilkie

Submissions from 2010

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Thermal Degradation of High-Temperature Fluorinated Polyimide and its Carbon Fiber Composite, Andrea D. Adamczak, Adam A. Spriggs, Danielle M. Fitch, Walid Awad, Charles Wilkie, and Jaime C. Grunlan

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Investigation of the Thermal Degradation of Polyurea: The Effect of Ammonium Polyphosphate and Expandable Graphite, Walid Awad and Charles Wilkie

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Resin-modified Glass-ionomer Setting Reaction Competition, David Berzins, S. Abey, M. C. Costache, Charles Wilkie, and H. W. Roberts

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High-throughput Method for Estimating the Time to Sustained Ignition of Polystyrene-Clay Nanocomposites Based on Thermogravimetric Analysis, Marius C. Costache and Charles Wilkie

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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

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Inhibitors of -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

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Study on Intumescent Flame Retarded Polystyrene Composites with Improved Flame Retardancy, Hongdian Lu and Charles Wilkie

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Synergistic Effect of Carbon Nanotubes and Decabromodiphenyl Oxide/Sb2O3 in Improving the Flame Retardancy of Polystyrene, Hongdian Lu and Charles Wilkie

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Anion Exchange Kinetics of Nanodimensional Layered Metal Hydroxides: Use of Isoconversional Analysis, Stephen Majoni and Jeanne Hossenlopp

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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

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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

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Direct Patterning of Silanized-Biomolecules on Semiconductor Surfaces, Dorjderem Nyamjav and Richard C. Holz

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Immobilization of Motile Bacterial Cells via Dip-pen Nanolithography, Dorjderem Nyamjav, Sergey Rozhok, and Richard C. Holz

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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

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Thermal Degradation Studies on PMMA–HET Acid Based Oligoesters Blends, Thangamani Rajkumar, Chinnaswamy Thangavel Vijayakumar, Palanichamy Sivasamy, Bojja Sreedhar, and Charles Wilkie

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De novo synthesis of polyhydroxyl aminocyclohexanes, Anobick Sar, Sergey Lindeman, and William Donaldson

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Synthesis of Hydroxy- and Polyhydroxy-Substituted 1,3-Diaminocyclohexanes, Anobick Sar, Sergey Lindeman, and William Donaldson

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An In Vitro Spectroscopic Analysis to Determine Whether Para-Chloroaniline Is Produced from Mixing Sodium Hypochlorite and Chlorhexidine, John Thomas and Daniel Sem

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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

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The Utility of Nanocomposites in Fire Retardancy, Linjiang Wang, Xuejun He, and Charles Wilkie

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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 Wilkie

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Infrared Spectroelectrochemical Reduction of Iron Porphyrin Complexes, Zhongcheng Wei and Michael Ryan

Submissions from 2009

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Material properties of nanoclay PVC composites, Walid Awad, Gunter Beyer, Daphne Benderly, Wouter L. Ijdo, Ponusa Songtipya, Maria del Mar Jimenez-Gasco, Evangelos Manias, and Charles Wilkie

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Development of Polyurea Nanocomposites with Improved Fire Retardancy, Walid Awad, Calistor Nyambo, Seogjun Kim, Robert J. Dinan, Jeff W. Fisher, and Charles Wilkie

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Recent Applications of Acyclic (Diene)iron Complexes and (Dienyl)iron Cations in Organic Synthesis, William Donaldson and Subhabrata Chaudhury

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Inhibitors of Bacterial N-succinyl-L,L-diaminopimelic Acid Desuccinylase (DapE) and Demonstration of in vitro Antimicrobial Activity, Danuta Gillner, Nicola Armoush, Richard C. Holz, and Daniel P. Becker

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The dapE-encoded N-succinyl-L,L-diaminopimelic Acid Desuccinylase from Haemophilus influenzae Contains Two Active-site Histidine Residues, Danuta M. Gillner, David L. Bienvenue, Boguslaw P. Nocek, Andzrej Joachimiak, Vincentos Zachary, Brian Bennett, and Richard C. Holz

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Synthetic studies directed toward guianolides: an organoiron route to the 5,7,5 tricyclic ring system, Jayapal Reddy Gone, Nathaniel J Wallock, Sergey Lindeman, and William Donaldson

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Effects of Hydroxy Double Salts and Related Nanodimensional-Layered Metal Hydroxides on Polymer Thermal Stability, Everson Kandare and Jeanne Hossenlopp

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Structure - property relationships of new polystyrene nanocomposites prepared from initiator-containing layered double hydroxides of zinc aluminum and magnesium aluminum, Charles Manzi-Nshuti, Dan Chen, Shengpei Shu, and Charles Wilkie

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The Effects of Intralayer Metal Composition of Layered Double Hydroxides on Glass Transition, Dispersion, Thermal and Fire Properties of Their PMMA Nanocomposites, Charles Manzi-Nshuti, Dan Chen, Shengpei Su, and Charles Wilkie

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Comparative Study on the Flammability of Polyethylene Modified with Commercial Fire Retardants and a Zinc Aluminum Oleate Layered Double Hydroxide, Charles Manzi-Nshuti, Jeanne Hossenlopp, and Charles Wilkie

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Polymer Nanocomposites Using Zinc Aluminum and Magnesium Aluminum Oleate Layered Double Hydroxides: Effects of LDH Divalent Metals on Dispersion, Thermal, Mechanical and Fire Performance in Various Polymers, Charles Manzi-Nshuti, Ponusa Songtipya, Evangelos Manias, Maria del Mar Jimenez-Gasco, Jeanne Hossenlopp, and Charles Wilkie

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Polymer nanocomposites using zinc aluminum and magnesium aluminum oleate layered double hydroxides: Effects of the polymeric compatibilizer and of composition on the thermal and fire properties of PP/LDH nanocomposites, Charles Manzi-Nshuti, Ponusa Songtipya, Evangelos Manias, Maria del Mar Jimenez-Gasco, Jeanne Hossenlopp, and Charles Wilkie

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The Role of the Trivalent metal in an LDH: Synthesis, Characterization and Fire Properties of Thermally Stable PMMA/LDH Systems, Charles Manzi-Nshuti, Dongyan Wang, Jeanne Hossenlopp, and Charles Wilkie

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Use of Layered Double Hydroxides as Polymer Fire-Retardant Additives: Advantages and Challenges, Charles Manzi-Nshuti, Liying Zhu, Calistor Nyambo, Linjiang Wang, Charles A. Wilkie, and Jeanne Hossenlopp

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13C-Methyl isocyanide as an NMR probe for cytochrome P450 active site, Christopher R McCullough, Phani Kumar Pullela, Sang-Choul Im, Lucy Waskell, and Daniel Sem

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Mutation of H63 and its Catalytic Affect on the Methionine Aminopeptidase from Escherichia coli, Sanghamitra Mitra, Brian Bennett, and Richard C. Holz

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Analyzing the Binding of Co(II)-specific Inhibitors to the Methionyl Aminopeptidases from Escherichia coli and Pyrococcus furiosus, Sanghamitra Mitra, George Sheppard, Jieyi Wang, Brian Bennett, and Richard C. Holz

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Fire Retardancy in 2009, Gordon L. Nelson, Alexander B. Morgan, and Charles Wilkie

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Does organic modification of layered double hydroxides improve the fire performance of PMMA?, Calistor Nyambo, Dan Chen, Shengpei Shu, and Charles Wilkie

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Variation of benzyl anions in MgAl-layered double hydroxides: Fire and thermal properties in PMMA, Calistor Nyambo, Dan Chen, Shengpei Shu, and Charles Wilkie