Journal of Physical Chemistry B

Journal of Physical Chemistry B, Vol.114, No.19 Entire volume, number list

ISSN: 1520-6106 (Print)

In this Issue (63 articles)

6225 - 6232	Coarse-Grained Molecular Dynamics Simulations of DNA Condensation by Block Copolymer and Formation of Core-Corona Structures Ziebarth J, Wang YM
6233 - 6246	Prediction of Infinite Dilution Benzene Solubility in Linear Polyethylene Melts via the Direct Particle Deletion Method De Angelis MG, Boulougouris GC, Theodorou DN
6247 - 6257	Synchrotron X-ray Scattering Characterization of the Molecular Structures of Star Polystyrenes with Varying Numbers of Arms Jin S, Higashihara T, Jin KS, Yoon J, Rho Y, Ahn B, Kim J, Hirao A, Ree M
6258 - 6265	Electric-Field-Induced Enhancement/Quenching of Photoluminescence of pi-Conjugated Polymer S3-PPV: Excitation Energy Dependence Mehata MS, Hsu CS, Lee YP, Ohta N
6266 - 6272	Polyelectrolyte Electrophoresis in Nanochannels: A Dissipative Particle Dynamics Simulation Smiatek J, Schmid F
6273 - 6280	Viscosification in Polymer-Surfactant Mixtures at Low Temperatures Beheshti N, Kjoniksen AL, Zhu KZ, Knudsen KD, Nystrom B
6281 - 6290	Poly(2-thiophen-3-yl-malonic acid), a Polythiophene with Two Carboxylic Acids Per Repeating Unit Bertran O, Armelin E, Estrany F, Gomes A, Torras J, Aleman C
6291 - 6299	Effect of Degree of Branching on the Thermoresponsive Phase Transition Behaviors of Hyperbranched Multiarm Copolymers: Comparison of Systems with LCST Transition Based on Coil-to-Globule Transition or Hydrophilic-Hydrophobic Balance Cheng HX, Xie SA, Zhou YF, Huang W, Yan DY, Yang JT, Ji B
6300 - 6308	Amphiphilic Asymmetric Comb Copolymer with Pendant Pyrene Groups and PNIPAM Side Chains: Synthesis, Photophysical Properties, and Self-Assembly Zhao CZ, Wu DX, Lian XM, Zhang Y, Song XH, Zhao HY
6309 - 6315	Synthesis and Nonlinear Optical Properties of Tetrahedral Octupolar Phthalocyanine-Based Systems Quintiliani M, Perez-Moreno J, Asselberghs I, Vazquez P, Clays K, Torres T
6316 - 6322	Computational Design of Active, Self-Reinforcing Gels Yashin VV, Kuksenok O, Balazs AC
6323 - 6331	Microscopic Study of Ionic Liquid-H2O Systems: Alkyl-Group Dependence of 1-Alkyl-3-Methylimidazolium Cation Masaki T, Nishikawa K, Shirota H
6332 - 6336	FT-IR Spectroscopy and DFT Calculations on Fluorinated Macromer Diols: IR Intensity and Association Properties Radice S, Di Dedda E, Tonelli C, Della Pergola R, Milani A, Castiglioni C
6337 - 6343	Implicit Solvent Model Simulations of Surfactant Self-Assembly in Aqueous Solutions Morisada S, Shinto H
6344 - 6349	CO2-Induced Microstructure Transition of Surfactant in Aqueous Solution: Insight from Molecular Dynamics Simulation Zhuo SC, Huang YM, Peng CJ, Liu HL, Hu Y, Jiang JW
6350 - 6353	A Unique Approach to the Mobile Proton Model: Influence of Charge Distribution on Peptide Fragmentation Sun F, Liu RT, Zong WS, Tian YM, Wang MJ, Zhang PJ
6354 - 6364	Mixed Micelle Formation between Amphiphilic Drug Amitriptyline Hydrochloride and Surfactants (Conventional and Gemini) at 293.15-308.15 K Kabir-ud-Din, Rub MA, Naqvi AZ
6365 - 6376	Structure, Interfacial Properties, and Dynamics of the Sodium Alkyl Sulfate Type Surfactant Monolayer at the Water/Trichloroethylene Interface: A Molecular Dynamics Simulation Study Shi WX, Guo HX
6377 - 6385	Model Studies of Membrane Disruption by Photogenerated Oxidative Assault Howland MC, Parikh AN
6386 - 6393	Coarse-Grained Potential Models for Phenyl-Based Molecules: I. Parametrization Using Experimental Data DeVane R, Klein ML, Chiu CC, Nielsen SO, Shinoda W, Moore PB
6394 - 6400	Coarse-Grained Potential Models for Phenyl-Based Molecules: II. Application to Fullerenes Chiu CC, DeVane R, Klein ML, Shinoda W, Moore PB, Nielsen SO
6401 - 6408	Halothane Solvation in Water and Organic Solvents from Molecular Simulations with New Polarizable Potential Function Subbotina JO, Johannes J, Lev B, Noskov SY
6409 - 6425	Solvent Effects on the Physicochemical Properties of the Cross-Linked Histidine-Tyrosine Ligand of Cytochrome c Oxidase McDonald WJ, Einarsdottir O
6426 - 6436	Structure of Liquid Linear Alcohols Lehtola J, Hakala M, Hamalainen K
6437 - 6446	Diffusiophoretic Motion of a Charged Spherical Particle in a Nanopore Lee SY, Yalcin SE, Joo SW, Baysal O, Qian S
6447 - 6454	Molecular Dynamics Simulations of Ferrocene-Terminated Self-Assembled Monolayers Goujon F, Bonal C, Limoges B, Malfreyt P
6455 - 6463	Role of Cation Symmetry in Intermolecular Structure and Dynamics of Room Temperature Ionic Liquids: Simulation Studies Raju SG, Balasubramanian S
6464 - 6471	Revisiting the Salt-Induced Conformational Change of DNA with 3D-RISM Theory Maruyama Y, Yoshida N, Hirata F
6472 - 6479	In Situ Experimental Evidence for a Nonmonotonous Structural Evolution with Composition in the Molten LiF-ZrF4 System Pauvert O, Zanghi D, Salanne M, Simon C, Rakhmatullin A, Matsuura H, Okamoto Y, Vivet F, Bessada C
6480 - 6491	Grafting of Imidazolium Based Ionic Liquid on the Pore Surface of Nanoporous Materials-Study of Physicochemical and Thermodynamic Properties Vangeli OC, Romanos GE, Beltsios KG, Fokas D, Kouvelos EP, Stefanopoulos KL, Kanellopoulos NK
6492 - 6499	Conformational Preferences of n-Butane Inside Zeolite NaY: Comparison of Other Related Properties with iso-Butane Ghorai PK
6500 - 6512	Computational Study of the One- and Two-Photon Absorption and Circular Dichroism of (L)-Tryptophan Guillaume M, Ruud K, Rizzo A, Monti S, Lin ZJ, Xu XE
6513 - 6521	Raman Spectroscopic Studies and Ab Initio Calculations on Conformational Isomerism of 1-Butyl-3-methylimidazolium Bis-(trifluoromethanesulfonyl)amide Solvated to a Lithium Ion in Ionic Liquids: Effects of the Second Solvation Sphere of the Lithium Ion Umebayashi Y, Mori S, Fujii K, Tsuzuki S, Seki S, Hayamizu K, Ishiguro S
6522 - 6530	Extension of a Charged Anisotropic United Atoms Model to Polycyclic Aromatic Compounds Creton B, de Bruin T, Lachet V, Nieto-Draghi C
6531 - 6541	Molecular Simulations and Experimental Studies of Solubility and Diffusivity for Pure and Mixed Gases of H-2, CO2, and Ar Absorbed in the Ionic Liquid 1-n-Hexyl-3-methylimidazolium Bis(Trifluoromethylsulfonyl)amide ([hmim][Tf2N]) Shi W, Sorescu DC, Luebke DR, Keller MJ, Wickramanayake S
6542 - 6548	Comparison of the Oxygen Reduction Reaction between NaOH and KOH Solutions on a Pt Electrode: The Electrolyte-Dependent Effect Jin W, Du H, Zheng SL, Xu HB, Zhang Y
6549 - 6560	Noise-Induced Dynamic Symmetry Breaking and Stochastic Transitions in ABA Molecules: I. Classification of Vibrational Modes Kryvohuz M, Cao JS
6561 - 6566	Working Mechanism for a Redox Switchable Molecular Machine Based on Cyclodextrin: A Free Energy Profile Approach Zhang Q, Tu YQ, Tian H, Zhao YL, Stoddart JF, Agren H
6567 - 6578	Energy Compensation Mechanism for Charge-Separated Protonation States in Aspartate-Histidine Amino Acid Residue Pairs Kamiya K, Boero M, Shiraishi K, Oshiyama A, Shigeta Y
6579 - 6593	Dielectric Relaxation and Crystallization Kinetics of Ibuprofen at Ambient and Elevated Pressure Adrjanowicz K, Kaminski K, Wojnarowska Z, Dulski M, Hawelek L, Pawlus S, Paluch M, Sawicki W
6594 - 6600	A Molecular Dynamics Study for the Structure Determination of the Signaling State in the Photocycle of Photoactive Yellow Protein Kamiya M, Ohmine I
6601 - 6607	Tunneling Effect in Regeneration Reaction of Vitamin E by Ubiquinol Ouchi A, Nagaoka S, Mukai K
6608 - 6613	Experimental and Theoretical (DFT) Characterization of the Excited States and N-Centered Radical Species Derived from 2-Aminobenzimidazole, the Core Substructure of a Family of Bioactive Compounds Viudes V, Bartovsky P, Domingo LR, Tormos R, Miranda MA
6614 - 6624	Prediction of Aggregation Prone Regions of Therapeutic Proteins Chennamsetty N, Voynov V, Kayser V, Helk B, Trout BL
6625 - 6635	Mechanism of the OH Radical Scavenging Activity of Nordihydroguaiaretic Acid: A Combined Theoretical and Experimental Study Galano A, Macias-Ruvalcaba NA, Campos ONM, Pedraza-Chaverri J
6636 - 6641	Raman Studies of Solution Polyglycine Conformations Bykov S, Asher S
6642 - 6652	Extensive Molecular Dynamics Simulations Showing That Canonical G8 and Protonated A38H(+) Forms Are Most Consistent with Crystal Structures of Hairpin Ribozyme Mlynsky V, Banas P, Hollas D, Reblova K, Walter NG, Sponer J, Otyepka M
6653 - 6660	Impact of Distal Mutation on Hydrogen Transfer Interface and Substrate Conformation in Soybean Lipoxygenase Edwards SJ, Soudackov AV, Hammes-Schiffer S
6661 - 6668	UV Resonance Raman Investigation of the Conformations and Lowest Energy Allowed Electronic Excited States of Tri- and Tetraalanine: Charge Transfer Transitions Sharma B, Asher SA
6669 - 6674	Bunching Effect in Single-Molecule T4 Lysozyme Nonequilibrium Conformational Dynamics under Enzymatic Reactions Wang YM, Lu HP
6675 - 6684	Thermal Denaturation of Beta-Lactoglobulin and Stabilization Mechanism by Trehalose Analyzed from Raman Spectroscopy Investigations Seo JA, Hedoux A, Guinet Y, Paccou L, Affouard F, Lerbret A, Descamps M
6685 - 6692	Oxidative Modification of Guanine Bases Initiated by Oxyl Radicals Derived from Photolysis of Azo Compounds Shao J, Geacintov NE, Shafirovich V
6693 - 6702	Ligand Exchange Dynamics in Aqueous Solution Studied with 2DIR Spectroscopy Park S, Ji MB, Gaffney KJ
6703 - 6706	Multiplexed Electrochemical DNA Sensor for Single-Nucleotide Polymorphism Typing by Using Oligonucleotide-Incorporated Nonfouling Surfaces Wan Y, Lao RJ, Liu G, Song SP, Wang LH, Li D, Fan CH
6707 - 6712	beta-Lactoglobulin/Folic Acid Complexes: Formation, Characterization, and Biological Implication Liang L, Subirade M
6713 - 6721	Binding of BOBO-3 Intercalative Dye to DNA Homo-Oligonucleotides with Different Base Compositions Ruedas-Rama MJ, Alvarez-Pez JM, Paredes JM, Talavera EM, Orte A
6722 - 6731	Interaction of Alcohols with [Val(5)]angiotensin in Alcohol-Water Mixtures Neuman RC, Gerig JT
6732 - 6739	Kinetics of Charge Separation in Poly(A)-Poly(T) DNA Hairpins Blaustein GS, Lewis FD, Burin AL
6740 - 6750	Spectroscopic Polarizable Force Field for Amide Groups in Polypeptides Schropp B, Wichmann C, Tavan P
6751 - 6762	Reversible Hydrogen Transfer between Cysteine Thiyl Radical and Glycine and Alanine in Model Peptides: Covalent HID Exchange, Radical Radical Reactions, and L- to D-Ala Conversion Mozziconacci O, Kerwin BA, Schoneich C
6763 - 6763	Phosphorylation Reaction in cAPK Protein Kinase-Free Energy Quantum Mechanical/Molecular Mechanics Simulations (vol 111, pg 13455, 2007) Valiev M, Yang J, Adams JA, Taylor SS, Weare JH
6763 - 6763	Calculation of Free-Energy Differences by Confinement Simulations. Application to Peptide Conformers (vol 113 pg 9728, pg 2009) Cecchini M, Krivov SV, Spichty M, Karplus M
6763 - 6763	Molecular Dynamics Simulation of 8-Oxoguanine Containing DNA Fragments Reveals Altered Hydration and Ion Binding Patterns (vol 114, pg 4789, 2010) Naome A, Schyman P, Laaksonen A, Vercauteren DP