Journal of Physical Chemistry B

Journal of Physical Chemistry B, Vol.112, No.47 Entire volume, number list

ISSN: 1520-6106 (Print)

In this Issue (72 articles)

14673 - 14677	Solvent Dependence on Conformational Transition, Dipole Moment, and Molecular Geometry of 1,2-Dichloroethane: Insight from Car-Parrinello Molecular Dynamics Calculations Murugan NA, Hugosson HW, Agren H
14678 - 14681	Construction of Asymmetric Cell-Sized Lipid Vesicles from Lipid-Coated Water-in-Oil Microdroplets Hamada T, Miura Y, Komatsu Y, Kishimoto Y, Vestergaard M, Takagi M
14682 - 14686	Hierarchical and Helical Self-Assembly of ADP-Ribosyl Cyclase into Large-Scale Protein Microtubes Liu Q, Kriksunov IA, Wang ZW, Graeff R, Lee HC, Hao Q
14687 - 14691	Polyelectrolyte Entry and Transport through an Asymmetric alpha-Hemolysin Channel Gibrat G, Pastoriza-Gallego M, Thiebot B, Breton MF, Auvray L, Pelta J
14692 - 14697	Structural Ordering and Phase Behavior of Charged Microgels Mohanty PS, Richtering W
14698 - 14717	Self-Assembled Nanostructures of Oligopyridine Molecules Ziener U
14718 - 14728	Order and Dynamics of a Liquid Crystalline Dendrimer by Means of H-2 NMR Spectroscopy Domenici V, Cifelli M, Veracini CA, Boiko NI, Agina EV, Shibaev VP
14729 - 14741	Key Role of Active-Site Water Molecules in Bacteriorhodopsin Proton-Transfer Reactions Bondar AN, Baudry J, Suhai S, Fischer S, Smith JC
14742 - 14750	Assembly, Characterization, and Photoluminescence of Hybrids Containing Europium(III) Complexes Covalently Bonded to Inorganic Si-O Networks/Organic Polymers by Modified beta-Diketone Qiao XF, Yan B
14751 - 14761	Three-Branched Dendritic Dipolar Nonlinear Optical Chromophores, More than Three Times a Single-Strand Chromophore? Holtmann J, Walczuk E, Dede M, Wittenburg C, Heck J, Archetti G, Wortmann R, Kuball HG, Wang YH, Liu K, Luo Y
14762 - 14765	Dissipative Particle Dynamics Simulations of Toroidal Structure Formations of Amphiphilic Triblock Copolymers Li XJ, Deng MG, Liu Y, Liang HJ
14766 - 14771	Collective Buckling of a Two-Dimensional Array of Nanoscale Columns Chen ZG, Yang JS, Tan L
14772 - 14778	Structural Investigation of PAMAM Dendrimers in Aqueous Solutions Using Small-Angle Neutron Scattering: Effect of Generation Porcar L, Liu Y, Verduzco R, Hong KL, Butler PD, Magid LJ, Smith GS, Chen WR
14779 - 14792	Molecular Dynamics Simulations of Porphyrin-Dendrimer Systems: Toward Modeling Electron Transfer in Solution Paulo PMR, Lopes JNC, Costa SMB
14793 - 14803	PVT Behavior of Thermoplastic Poly(styrene-co-acrylonitrile)-Modified Epoxy Systems: Relating Polymerization-Induced Viscoelastic Phase Separation with the Cure Shrinkage Performance Jose J, Joseph K, Pionteck J, Thomas S
14804 - 14818	A Joined Theoretical-Experimental Investigation on the H-1 and C-13 NMR Signatures of Defects in Poly(vinyl chloride) d'Antuono P, Botek E, Champagne B, Wieme J, Reyniers MF, Marin GB, Adriaensens PJ, Gelan JM
14819 - 14828	Unique Isothermal Crystallization Behavior of Novel Polyphenylene Sulfide/Inorganic Fullerene-like WS2 Nanocomposites Naffakh M, Marco C, Gomez MA, Jimenez I
14829 - 14835	Conducting Polymer Films Fabricated by Oxidative Graft Copolymerization of Aniline on Poly(acrylic acid) Grafted Poly(ethylene terephthalate) Surfaces Wang JK, Liu XY, Choi HS, Kim JH
14836 - 14842	Metal Oxide and Sulfide Hollow Spheres: Layer-By-Layer Synthesis and Their Application in Lithium-Ion Battery Du N, Zhang H, Chen J, Sun JY, Chen BD, Yang DR
14843 - 14850	Dumbbell-Shaped Polyelectrolyte Brushes Studied by Depolarized Dynamic Light Scattering Hoffmann M, Lu Y, Schrinner M, Ballauff M, Harnau L
14851 - 14856	Diffusion of Vinyl Bromide through the Crystals of p-Bu-t-calix[4]arene Gu X, Zhang L, Gong XA, Lau WM, Liu ZF
14857 - 14862	A Theoretical Study of the Charge Transfer Behavior of the Highly Regioregular Poly-3-hexylthiophene in the Ordered State Lan YK, Huang CI
14863 - 14868	The Importance of Excluded Solvent Volume Effects in Computing Hydration Free Energies Yang PK, Lim C
14869 - 14876	Molecular Interactions of Cationic and Anionic Surfactants in Mixed Monolayers and Aggregates Sohrabi B, Gharibi H, Tajik B, Javadian S, Hashemianzadeh M
14877 - 14887	Structure/Property Relationships for the Thermotropic Behavior of Lysine-Based Amphiphiles: from Hexagonal to Smectic Phases Brito RO, Marques EF, Gomes P, Araujo MJ, Pons R
14888 - 14897	Charge Transport through Polyene Self-Assembled Monolayers from Multiscale Computer Simulations George C, Yoshida H, Goddard WA, Jang SS, Kim YH
14898 - 14904	Molecular Simulation of the Influence of Interface Faceting on the Shock Sensitivity of a Model Plastic Bonded Explosive Shi YF, Brenner DW
14905 - 14910	Molecular Dynamics Simulation of Nanoscale Distribution and Mobility of Water and Dimethylmethylphosphonate in Sulfonated Polystyrene Vishnyakov A, Neimark AV
14911 - 14919	Phase Behavior of Model Confined Fluids. Influence of Substrate-Fluid Interaction Strength Rosch TW, Errington JR
14920 - 14926	2D Regional Correlation Analysis of Single-Molecule Time Trajectories Wang XF, Lu HP
14927 - 14936	Multiprobe Spectroscopic Evidence for "Hyperpolarity" within 1-Butyl-3-methylimidazolium Hexafluorophosphate Mixtures with Tetraethylene Glycol Sarkar A, Trivedi S, Baker GA, Pandey S
14937 - 14951	Thermal Diffusion and Partial Molar Enthalpy Variations of n-Butane in Silicalite-1 Inzoli I, Simon JM, Bedeaux D, Kjelstrup S
14952 - 14958	Variations of Diffusion Coefficients of Redox Active Molecules in Room Temperature Ionic Liquids upon Electron Transfer Zigah D, Ghilane J, Lagrost C, Hapiot P
14959 - 14970	Solvation and Solvatochromism in CO2-Expanded Liquids. 3. The Dynamics of Nonspecific Preferential Solvation Swalina C, Arzhantsev S, Li HP, Maroncelli M
14971 - 14975	External Photoelectron Emission Spectra of Ionic Liquids in the Presence and Absence of Iodide Katoh R
14976 - 14984	Solvation in Pure Liquids: What Can Be Learned from the Use of Pairs of Indicators? Silva PL, Pires PAR, Trassi MAS, El Seoud AOA
14985 - 14992	Protein-Ligand Binding Affinity by Nonequilibrium Free Energy Methods Cossins BP, Foucher S, Edge CA, Essex JW
14993 - 14998	Effects of Solute Structure on Local Solvation and Solvent Interactions: Results from UV/Vis Spectroscopy and Molecular Dynamics Simulations Gohres JL, Shukla CL, Popov AV, Hernandez R, Liotta CL, Eckert CA
14999 - 15004	Reverse Nonequilibrium Molecular Dynamics Calculation of the Soret Coefficient in Liquid Heptane/Benzene Mixtures Polyakov P, Muller-Plathe F, Wiegand S
15005 - 15013	Nonideal Statistical Rate Theory Formulation To Predict Evaporation Rates from Equations of State Kapoor A, Elliott JAW
15014 - 15020	NMR Study of the Reversible Trapping of SF6 by Cucurbit[6]uril in Aqueous Solution Fusaro L, Locci E, Lai A, Luhmer M
15021 - 15028	Effect of Sol-Gel Confinement on the Structural Dynamics of the Enzyme Bovine Cu,Zn Superoxide Dismutase Pastor I, Prieto M, Mateo CR
15029 - 15033	Statistical Thermodynamics of the Collagen Triple-Helix/Coil Transition. Free Energies for Amino Acid Substitutions within the Triple-Helix Doig AJ
15034 - 15044	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 Nauser T, Casi G, Koppenol WH, Schoneich C
15045 - 15053	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 De Cooman H, Vanhaelewyn G, Pauwels E, Sagstuen E, Waroquier M, Callens F
15054 - 15063	Radiation-Induced Radicals in Glucose-1-phosphate. II. DFT Analysis of Structures and Possible Formation Mechanisms Pauwels E, De Cooman H, Vanhaelewyn G, Sagstuen E, Callens F, Waroquier M
15064 - 15073	Calculation of Protein Heat Capacity from Replica-Exchange Molecular Dynamics Simulations with Different Implicit Solvent Models Yeh IC, Lee MS, Olson MA
15074 - 15085	Multiple Protonation Equilibria in Electrostatics of Protein-Protein Binding Pilat Z, Antosiewicz JM
15086 - 15093	Compartmentalized Nanocomposite for Dynamic Nitric Oxide Release Koehler JJ, Zhao J, Jedlicka SS, Porterfield DM, Rickus JL
15094 - 15102	Interpretation of Protein/Ligand Crystal Structure using QM/MM Calculations: Case of HIV-1 Protease/Metallacarborane Complex Fanfrlik J, Brynda J, Rezac J, Hobza P, Lepsik M
15103 - 15107	A Second-Harmonic-Active Unnatural Amino Acid as a Structural Probe of Biomolecules on Surfaces Salafsky JS, Cohen B
15108 - 15115	Intramolecular Vibrational Excitation of Unfolding Reactions in Zn-II-Substituted and Metal-Free Cytochromes c: Activation Enthalpies from Integrated Fluorescence Stokes Shift and Line Shape Excitation Profiles Barns KJ, Lampa-Pastirk S, Dillman KL, Beck WF
15116 - 15126	Mechanism on Two-Electron Oxidation of Ubiquinol at the Q(p) Site in Cytochrome bc(1) Complex: B3LYP Study with Broken Symmetry Shimizu M, Katsuda N, Katsurada T, Mitani M, Yoshioka Y
15127 - 15133	Dynamic Redox Environment-Intensified Disulfide Bond Shuffling for Protein Refolding in Vitro: Molecular Simulation and Experimental Validation Lu D, Liu Z
15134 - 15139	Caching of a Chameleon Segment Facilitates Folding of a Protein with End-to-End beta-Sheet Mohanty S, Hansmann UHE
15140 - 15150	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 Gaggelli E, Jankowska E, Kozlowski H, Marcinkowska A, Migliorini C, Stanczak P, Valensin D, Valensin G
15151 - 15157	Glucose Orientation and Dynamics in alpha-, beta-, and gamma-Cyclodextrins Naidoo KJ, Gamieldien MR, Chen JYJ, Widmalm G, Maliniak A
15158 - 15173	DFT at Its Best: Metal- versus Ligand-Centered Reduction in Nickel Hydroporphyrins Ryeng H, Gonzalez E, Ghosh A
15174 - 15181	Thioflavin T Hydroxylation at Basic pH and Its Effect on Amyloid Fibril Detection Fodera V, Groenning M, Vetri V, Librizzi F, Spagnolo S, Cornett C, Olsen L, van de Weert M, Leone M
15182 - 15194	Primary Photoprocesses Involved in the Sensory Protein for the Photophobic Response of Blepharisma japonicum Brazard J, Ley C, Lacombat F, Plaza P, Martin MM, Checcucci G, Lenci F
15195 - 15201	Micellization of Surfactin and Its Effect on the Aggregate Conformation of Amyloid beta(1-40) Han YC, Huang X, Cao MW, Wang YL
15202 - 15211	Gated Electron Transfer of Yeast Iso-1 Cytochrome c on Self-Assembled Monolayer-Coated Electrodes Feng JJ, Murgida DH, Kuhlmann U, Utesch T, Mroginski MA, Hildebrandt P, Weidinger IM
15212 - 15216	Reaction Dynamics of Excited 2-(3-Benzoylphenyl)propionic Acid (Ketoprofen) with Histidine Suzuki T, Okita T, Osanai Y, Ichimura T
15217 - 15226	Effect of the Cyclobutane Cytidine Dimer on the Properties of Escherichia coli DNA Photolyase Murphy AK, Tammaro M, Cortazar F, Gindt YA, Schevis JPM
15227 - 15243	Molecular Dynamics Study of the Ribosomal A-Site Romanowska J, Setny P, Trylska J
15244 - 15247	The Catalytic Acid in the Dephosphorylation of the Cdk2-pTpY/CycA Protein Complex by Cdc25B Phosphatase Arantes GM
15248 - 15255	Entropic Control of the Relative Stability of Triple-helical Collagen Peptide Models Suarez E, Diaz N, Suarez D
15256 - 15259	Interaction of Metallic Nanoparticles with a Biologically Active Molecule, Dopamine Liu CH, He HY, Pandey R, Hussain S, Karna SP
15260 - 15260	Comment on "Workman-Reynolds Freezing Potential Measurements between Ice and Dilute Salt Solutions for Single Ice Crystal Faces" Wilson PW, Haymet ADJ
15261 - 15261	Anodic Growth of Highly Ordered TiO2 Nanotube Arrays to 134 mu m in Length (vol 110B, pg 16179, 2006) Paulose M, Shankar K, Yoriya S, Prakasam HE, Varghese OK, Mor GK, LaTempa TJ, Fitzgerald A, Grimes C
15261 - 15261	Influence of Magnesium Ions on Spontaneous Opening of DNA Base Pairs (vol 112B, pg 7694, 2008) Every AE, Russu IM
15262 - 15262	Aggregation of FeCl2 Clusters in Supercritical Water Investigated by Molecular Dynamics Simulations (vol 112B, pg 12374, 2008) Lummen N, Kvamme B