Parameter Calibration of Transition-Metal Elements for the Spin-Polarized Self-Consistent-Charge Density-Functional Tight-Binding (DFTB) Method:  Sc, Ti, Fe, Co, and Ni

Guishan Zheng, Henryk A. Witek, Petia Bobadova‐Parvanova, +8

Journal of Chemical Theory and Computation

EngineeringBond EnergiesMagnetic ResonanceComputational ChemistryChemistry +15

Air separation and flue gas compression and purification units for oxy-coal combustion systems

Arthur Darde, Rajeev Prabhakar, Jean-Pierre Tranier, +1

Energy Procedia

Chemical EngineeringClean Coal TechnologyAir LiquideAir Separation ProcessFlue Gas Compression +12

Elucidation of the Mechanism of Selenoprotein Glutathione Peroxidase (GPx)-Catalyzed Hydrogen Peroxide Reduction by Two Glutathione Molecules:  A Density Functional Study

Rajeev Prabhakar, Thom Vreven, Keiji Morokuma, +1

Biochemistry

Gas and Vapor Sorption and Permeation in Poly(2,2,4-trifluoro-5-trifluoromethoxy-1,3-dioxole-<i>c</i><i>o</i>-tetrafluoroethylene)

Rajeev Prabhakar, Benny D. Freeman, Ian C. Roman

Macromolecules

EngineeringPorous PolymerOrganic ChemistryChemistryPolymers +15

CD11b activation suppresses TLR-dependent inflammation and autoimmunity in systemic lupus erythematosus

Mohd Hafeez Faridi, Samia Q. Khan, Wenpu Zhao, +40

Journal of Clinical Investigation

Immune RegulationImmunologyPathologyImmunologic MechanismCd4 T Cell Responses +17

Disulfide Bridges Remain Intact while Native Insulin Converts into Amyloid Fibrils

Dmitry Kurouski, Jacqueline Washington, Mehmet Özbil, +3

PLoS ONE

Insulin FibrilsProtein AssemblyMolecular BiologyPeptide ScienceAnalytical Ultracentrifugation +17

Activation of Triplet Dioxygen by Glucose Oxidase:  Spin−Orbit Coupling in the Superoxide Ion

Rajeev Prabhakar, Per E. M. Siegbahn, Boris F. Minaev, +1

The Journal of Physical Chemistry B

EngineeringChemistryDeuterium Isotope EffectRedox BiologyTriplet Dioxygen +17

Cotinine Reduces Amyloid-β Aggregation and Improves Memory in Alzheimer's Disease Mice

Valentina Echeverrı́a, Ross Zeitlin, Sarah Burgess, +11

Journal of Alzheimer s Disease

Synaptic TransmissionNeurochemical BiomarkersAd MiceSynaptic SignalingMolecular Dynamics +22

Unraveling the Photoluminescence Response of Light-Switching Ruthenium(II) Complexes Bound to Amyloid-β

Nathan P. Cook, Mehmet Özbil, Christina Katsampes, +2

Journal of the American Chemical Society

A Redox-Active, Compact Molecule for Cross-Linking Amyloidogenic Peptides into Nontoxic, Off-Pathway Aggregates: In Vitro and In Vivo Efficacy and Molecular Mechanisms

Jeffrey S. Derrick, Richard A. Kerr, Youn-Woo Nam, +14

Journal of the American Chemical Society