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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jpcbfk/2008/volume_112
has manifestation of work	http://hub.abes.fr/acs/periodical/jpcbfk/2008/volume_112/issue_47/m/print http://hub.abes.fr/acs/periodical/jpcbfk/2008/volume_112/issue_47/m/web
Date Copyrighted	2008
Rights	Copyright © 2008 American Chemical Society Copyright © 2008 U.S. Government
issue	47
Rights Holder	American Chemical Society U.S. Government
is Is Part Of of	Order and Dynamics of a Liquid Crystalline Dendrimer by Means of 2H NMR Spectroscopy Key Role of Active-Site Water Molecules in Bacteriorhodopsin Proton-Transfer Reactions Molecular Interactions of Cationic and Anionic Surfactants in Mixed Monolayers and Aggregates Compartmentalized Nanocomposite for Dynamic Nitric Oxide Release Multiprobe Spectroscopic Evidence for “Hyperpolarity” within 1-Butyl-3-methylimidazolium Hexafluorophosphate Mixtures with Tetraethylene Glycol A Joined Theoretical−Experimental Investigation on the 1H and 13C NMR Signatures of Defects in Poly(vinyl chloride) Conducting Polymer Films Fabricated by Oxidative Graft Copolymerization of Aniline on Poly(acrylic acid) Grafted Poly(ethylene terephthalate) Surfaces NMR Study of the Reversible Trapping of SF6 by Cucurbit[6]uril in Aqueous Solution Solvent Dependence on Conformational Transition, Dipole Moment, and Molecular Geometry of 1,2-Dichloroethane: Insight from Car−Parrinello Molecular Dynamics Calculations Comment on “Workman−Reynolds Freezing Potential Measurements between Ice and Dilute Salt Solutions for Single Ice Crystal Faces” Dissipative Particle Dynamics Simulations of Toroidal Structure Formations of Amphiphilic Triblock Copolymers Collective Buckling of a Two-Dimensional Array of Nanoscale Columns Structural Characterization of the Intra- and Inter-Repeat Copper Binding Modes within the N-Terminal Region of “Prion Related Protein” (PrP-rel-2) of Zebrafish Effect of Sol−Gel Confinement on the Structural Dynamics of the Enzyme Bovine Cu,Zn Superoxide Dismutase Solvation and Solvatochromism in CO2-Expanded Liquids. 3. The Dynamics of Nonspecific Preferential Solvation Molecular Simulation of the Influence of Interface Faceting on the Shock Sensitivity of a Model Plastic Bonded Explosive Gated Electron Transfer of Yeast Iso-1 Cytochrome c on Self-Assembled Monolayer-Coated Electrodes Diffusion of Vinyl Bromide through the Crystals of p-But-calix[4]arene Molecular Dynamics Simulations of Porphyrin−Dendrimer Systems: Toward Modeling Electron Transfer in Solution A Theoretical Study of the Charge Transfer Behavior of the Highly Regioregular Poly-3-hexylthiophene in the Ordered State Interaction of Metallic Nanoparticles with a Biologically Active Molecule, Dopamine Structural Ordering and Phase Behavior of Charged Microgels Three-Branched Dendritic Dipolar Nonlinear Optical Chromophores, More than Three Times a Single-Strand Chromophore? Dumbbell-Shaped Polyelectrolyte Brushes Studied by Depolarized Dynamic Light Scattering Intramolecular Vibrational Excitation of Unfolding Reactions in ZnII-Substituted and Metal-Free Cytochromes c: Activation Enthalpies from Integrated Fluorescence Stokes Shift and Line Shape Excitation Profiles Phase Behavior of Model Confined Fluids. Influence of Substrate−Fluid Interaction Strength Dynamic Redox Environment-Intensified Disulfide Bond Shuffling for Protein Refolding in Vitro: Molecular Simulation and Experimental Validation Solvation in Pure Liquids: What Can Be Learned from the Use of Pairs of Indicators? Hierarchical and Helical Self-Assembly of ADP-Ribosyl Cyclase into Large-Scale Protein Microtubes PVT Behavior of Thermoplastic Poly(styrene-co-acrylonitrile)-Modified Epoxy Systems: Relating Polymerization-Induced Viscoelastic Phase Separation with the Cure Shrinkage Performance Calculation of Protein Heat Capacity from Replica-Exchange Molecular Dynamics Simulations with Different Implicit Solvent Models Effect of the Cyclobutane Cytidine Dimer on the Properties of Escherichia coli DNA Photolyase Variations of Diffusion Coefficients of Redox Active Molecules in Room Temperature Ionic Liquids upon Electron Transfer Polyelectrolyte Entry and Transport through an Asymmetric α-Hemolysin Channel Statistical Thermodynamics of the Collagen Triple-Helix/Coil Transition. Free Energies for Amino Acid Substitutions within the Triple-Helix Reaction Dynamics of Excited 2-(3-Benzoylphenyl)propionic Acid (Ketoprofen) with Histidine Entropic Control of the Relative Stability of Triple-helical Collagen Peptide Models Radiation-Induced Radicals in Glucose-1-phosphate. II. DFT Analysis of Structures and Possible Formation Mechanisms Self-Assembled Nanostructures of Oligopyridine Molecules Charge Transport through Polyene Self-Assembled Monolayers from Multiscale Computer Simulations Molecular Dynamics Simulation of Nanoscale Distribution and Mobility of Water and Dimethylmethylphosphonate in Sulfonated Polystyrene A Second-Harmonic-Active Unnatural Amino Acid as a Structural Probe of Biomolecules on Surfaces Mechanism on Two-Electron Oxidation of Ubiquinol at the Qp Site in Cytochrome bc1 Complex: B3LYP Study with Broken Symmetry Reversible Intramolecular Hydrogen Transfer between Cysteine Thiyl Radicals and Glycine and Alanine in Model Peptides: Absolute Rate Constants Derived from Pulse Radiolysis and Laser Flash Photolysis Glucose Orientation and Dynamics in α-, β-, and γ-Cyclodextrins Thioflavin T Hydroxylation at Basic pH and Its Effect on Amyloid Fibril Detection Micellization of Surfactin and Its Effect on the Aggregate Conformation of Amyloid β(1-40) Radiation-Induced Radicals in Glucose-1-phosphate. I. Electron Paramagnetic Resonance and Electron Nuclear Double Resonance Analysis of in situ X-Irradiated Single Crystals at 77 K Molecular Dynamics Study of the Ribosomal A-Site 2D Regional Correlation Analysis of Single-Molecule Time Trajectories Nonideal Statistical Rate Theory Formulation To Predict Evaporation Rates from Equations of State Structural Investigation of PAMAM Dendrimers in Aqueous Solutions Using Small-Angle Neutron Scattering: Effect of Generation External Photoelectron Emission Spectra of Ionic Liquids in the Presence and Absence of Iodide Effects of Solute Structure on Local Solvation and Solvent Interactions: Results from UV/Vis Spectroscopy and Molecular Dynamics Simulations Unique Isothermal Crystallization Behavior of Novel Polyphenylene Sulfide/Inorganic Fullerene-like WS2 Nanocomposites Thermal Diffusion and Partial Molar Enthalpy Variations of n-Butane in Silicalite-1 Influence of Magnesium Ions on Spontaneous Opening of DNA Base Pairs The Importance of Excluded Solvent Volume Effects in Computing Hydration Free Energies Multiple Protonation Equilibria in Electrostatics of Protein−Protein Binding Interpretation of Protein/Ligand Crystal Structure using QM/MM Calculations: Case of HIV-1 Protease/Metallacarborane Complex Structure/Property Relationships for the Thermotropic Behavior of Lysine-Based Amphiphiles: from Hexagonal to Smectic Phases Caching of a Chameleon Segment Facilitates Folding of a Protein with End-to-End β-Sheet Reverse Nonequilibrium Molecular Dynamics Calculation of the Soret Coefficient in Liquid Heptane/Benzene Mixtures Assembly, Characterization, and Photoluminescence of Hybrids Containing Europium(III) Complexes Covalently Bonded to Inorganic Si−O Networks/Organic Polymers by Modified β-Diketone Metal Oxide and Sulfide Hollow Spheres: Layer-By-Layer Synthesis and Their Application in Lithium-Ion Battery Aggregation of FeCl2 Clusters in Supercritical Water Investigated by Molecular Dynamics Simulations DFT at Its Best: Metal- versus Ligand-Centered Reduction in Nickel Hydroporphyrins Primary Photoprocesses Involved in the Sensory Protein for the Photophobic Response of Blepharisma japonicum Protein−Ligand Binding Affinity by Nonequilibrium Free Energy Methods The Catalytic Acid in the Dephosphorylation of the Cdk2-pTpY/CycA Protein Complex by Cdc25B Phosphatase Construction of Asymmetric Cell-Sized Lipid Vesicles from Lipid-Coated Water-in-Oil Microdroplets Anodic Growth of Highly Ordered TiO2 Nanotube Arrays to 134 μm in Length

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