Journal of Physical Chemistry B

Journal of Physical Chemistry B, Vol.114, No.46 Entire volume, number list

ISSN: 1520-6106 (Print)

In this Issue (74 articles)

14797 - 14806	A Density-Functional Study of Heterometallic Cr-Based Molecular Rings Bellini V, Affronte M
14807 - 14814	Influence of CdSe/ZnS Quantum Dots in the Polymerization Process and in the Grating Recording in Acrylate Materials Barichard A, Galstian T, Israeli Y
14815 - 14820	Effect of Pressure on Tautomers' Equilibrium in Supercooled Glibenclamide Drug: Analysis of Fragility Behavior Wojnarowska Z, Adrjanowicz K, Kaminski K, Hawelek L, Paluch M
14821 - 14826	Tuning the Optical Characteristics of Poly(p-phenylenevinylene) by in Situ Au Nanoparticle Generation Saikia G, Murugadoss A, Sarmah PJ, Chattopadhyay A, Iyer PK
14827 - 14833	Unique Crystalline/Crystalline Polymer Blends of Poly(ethylene succinate) and Poly(p-dioxanone): Miscibility and Crystallization Behaviors Zeng JB, Zhu QY, Li YD, Qiu ZC, Wang YZ
14834 - 14841	Synthesis, Characterization, and Modeling of Naphthyl-Terminated sp Carbon Chains: Dinaphthylpolyynes Cataldo F, Ravagnan L, Cinquanta E, Castelli IE, Manini N, Onida G, Milani P
14842 - 14853	Synthesis of a Novel Hydrazone Derivative and Biophysical Studies of Its Interactions with Bovine Serum Albumin by Spectroscopic, Electrochemical, and Molecular Docking Methods Tian FF, Jiang FL, Han XL, Xiang C, Ge YS, Li JH, Zhang Y, Li R, Ding XL, Liu Y
14854 - 14859	Effect of Oxygen Plasma Treatment on Crystal Growth Mode at Pentacene/Ni Interface in Organic Thin-Film Transistors Song BJ, Hong K, Kim WK, Kim K, Kim S, Lee JL
14860 - 14874	Determination of Energies and Sites of Binding of PFOA and PFOS to Human Serum Albumin Salvalaglio M, Muscionico I, Cavallotti C
14875 - 14883	Stability of Perpendicular and Parallel Lamellae within Lamellae of Multiblock Terpolymers Xu YC, Li WH, Qiu F, Yang YL, Shi AC
14884 - 14889	Synthesis, Photophysical Properties, and Self-Assembly Behavior of Amphiphilic Polyfluorene: Unique Dual Fluorescence and Its Application as a Fluorescent Probe for the Mercury Ion Zhu LN, Qin JG, Yang CL
14890 - 14896	Toluene-Filled Polypyrrole Microvessels: Entrapment and Dynamics of Encapsulated Perylene Kubacka D, Krysinski P, Blanchard GJ, Stolarski J, Mazur M
14897 - 14906	Self-Assembled Microstructures of Confined Rod-Coil Diblock Copolymers by Self-Consistent Field Theory Yang GA, Tang P, Yang YL, Wang QA
14907 - 14915	Improved Density Functional Description of the Electrochemistry and Structure-Property Descriptors of Substituted Flavins North MA, Bhattacharyya S, Truhlar DG
14916 - 14923	Protein Simulations with an Optimized Water Model: Cooperative Helix Formation and Temperature-Induced Unfolded State Collapse Best RB, Mittal J
14924 - 14933	Explanation of Experimental Results of Mixed Micelles of Homologous Surfactants through a Mm2 Bidimensional Modeling Ferreira ML, Sierra MB, Morini MA, Rodriguez JL, Minardi R, Schulz PC
14934 - 14940	1-Naphthol as a Sensitive Fluorescent Molecular Probe for Monitoring the Interaction of Submicellar Concentration of Bile Salt with a Bilayer Membrane of DPPC, a Lung Surfactant Mohapatra M, Mishra AK
14941 - 14946	Fusion-Relevant Changes in Lipid Shape of Hydrated Cholesterol Hemisuccinate Induced by pH and Counterion Species Klasczyk B, Panzner S, Lipowsky R, Knecht V
14947 - 14954	Interfacial Behavior of Surfactin at the Decane/Water Interface: A Molecular Dynamics Simulation Gang HZ, Liu JF, Mu BZ
14955 - 14964	Effects of Inorganic and Organic Salts on Aggregation Behavior of Cationic Gemini Surfactants Yu DF, Huang X, Deng ML, Lin YY, Jiang LX, Huang JB, Wang YL
14965 - 14971	Molecular Mechanism of CO2 and SO2 Molecules Binding to the Air/Liquid Interface of 1-Butyl-3-methylimidazolium Tetrafluoroborate Ionic Liquid: A Molecular Dynamics Study with Polarizable Potential Models Wick CD, Chang TM, Dang LX
14972 - 14976	Effect of Perfluoroalkyl Chain Length on Proton Conduction in Fluoroalkylated Phosphonic, Phosphinic, and Sulfonic Acids Herath MB, Creager SE, Kitaygorodskiy A, DesMarteau DD
14977 - 14982	Adsorption of Nonionic Surfactants (CnEm) at the Silica-Water and Cellulose-Water Interface Singh SK, Notley SM
14983 - 14988	Water Structure at Aqueous Solution Surfaces of Atmospherically Relevant Dimethyl Sulfoxide and Methanesulfonic Acid Revealed by Phase-Sensitive Sum Frequency Spectroscopy Chen XK, Allen HC
14989 - 14994	Configuration Changes of Conducting Channel Network in Nafion Membranes due to Thermal Annealing Kwon O, Wu SJ, Zhu DM
14995 - 15002	Thermodynamic Properties of N-Isopropylacrylamide in Water: Solubility Transition, Phase Separation of Supersaturated Solution, and Glass Formation Sasaki S, Okabe S, Miyahara Y
15003 - 15010	Investigation of the Local Structure in Sub and Supercritical Ammonia Using the Nearest Neighbor Approach: A Molecular Dynamics Analysis Vyalov I, Kiselev M, Tassaing T, Soetens JC, Idrissi A
15011 - 15017	Phase Equilibria and Modeling of Pyridinium-Based Ionic Liquid Solutions Domanska U, Krolikowski M, Ramjugernath D, Letcher TM, Tumba K
15018 - 15028	Hydration Structure of the Quaternary Ammonium Cations Babiaczyk WI, Bonella S, Guidoni L, Ciccotti G
15029 - 15041	Molecular Simulations of CO2 and H-2 Sorption into Ionic Liquid 1-n-Hexyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)amide ([hmim][Tf2N]) Confined in Carbon Nanotubes Shi W, Sorescu DC
15042 - 15051	Effect of Ionic Liquid on Prototropic and Solvatochromic Behavior of Fluorescein Ali M, Dutta P, Pandey S
15052 - 15056	Statistical Rate Theory Insight into Evaporation and Condensation in Multicomponent Systems Kapoor A, Elliott JAW
15057 - 15065	Local Structure in Ionic Liquids Investigated by Hyper-Rayleigh Scattering Rodriguez V, Grondin J, Adamietz F, Danten Y
15066 - 15074	"Amphiphilic" Ionic Liquid in a Mixture of Nonionic Liquids: Theoretical Study Aerov AA, Khokhlov AR, Potemkin II
15075 - 15078	The First Step in Glycine Solvation: The Glycine-Water Complex Balabin RM
15079 - 15084	Phase Behavior and C-13 NMR Spectroscopic Analysis of the Mixed Methane plus Ethane plus Propane Hydrates in Mesoporous Silica Gels Lee S, Cha I, Seo Y
15085 - 15091	Receptacle Model of Salting-In by Tetramethylammonium Ions Hribar-Lee B, Dill KA, Vlachy V
15092 - 15105	Gas-Phase Structure and Fragmentation Pathways of Singly Protonated Peptides with N-Terminal Arginine Bythell BJ, Csonka IP, Suhai S, Barofsky DF, Paizs B
15106 - 15112	Detection of T-T Mismatches Using Mass Spectrometry: Specific Interactions of Hg(II) with Oligonucleotides Rich in Thymine (T) Anichina J, Dobrusin Z, Bohme DK
15113 - 15118	Rate Enhancement of an Interfacial Biochemical Reaction through Localization of Substrate and Enzyme by an Adaptor Domain Li J, Nayak S, Mrksich M
15119 - 15133	Modeling the Cu+ Binding in the 1-16 Region of the Amyloid-beta Peptide Involved in Alzheimer's Disease Furlan S, Hureau C, Faller P, La Penna G
15134 - 15140	Conformational Diversity of Short DNA Duplex Hicks S, Case J, Jofre A
15141 - 15150	Influence of the Lipid Phase State and Electrostatic Surface Potential on the Conformations of a Peripherally Bound Membrane Protein Decca MB, Galassi VV, Perduca M, Monaco HL, Montich GG
15151 - 15157	Hydration Effects on Energy Relaxation of Ferric Cytochrome C Films after Soret-Band Photoexcitation Ye SJ, Markelz A
15158 - 15171	Directionality of Electron-Transfer Reactions in Photosystem I of Prokaryotes: Universality of the Bidirectional Electron-Transfer Model Santabarbara S, Kuprov I, Poluektov O, Casal A, Russell CA, Purton S, Evans MCW
15172 - 15179	Molecular Dynamics Simulations on the Mechanism of Transporting Methylamine and Ammonia by Ammonium Transporter AmtB Wang JN, Yang HY, Zuo ZL, Yan XH, Wang Y, Luo XM, Jiang HL, Chen KX, Zhu WL
15180 - 15190	Soft Wall Ion Channel in Continuum Representation with Application to Modeling Ion Currents in alpha-Hemolysin Simakov NA, Kurnikova MG
15191 - 15198	Trapping Single Molecules in Liposomes: Surface Interactions and Freeze-Thaw Effects Liu BX, Mazouchi A, Gradinaru CC
15199 - 15211	Hydration Analysis of Antiviral Agent AZT by Means of DFT and MP2 Calculations Palafox MA, Talaya J
15212 - 15220	pH Dependence of the Conformation of Small Peptides Investigated with Two-Dimensional Vibrational Spectroscopy Huerta-Viga A, Shaw DJ, Woutersen S
15221 - 15226	FRET Efficiency Distributions of Multistate Single Molecules Gopich IV, Szabo A
15227 - 15235	Free Energy Surfaces from Single-Distance Information Schuetz P, Wuttke R, Schuler B, Caflisch A
15236 - 15243	Toward an Alternative Intrinsic Probe for Spectroscopic Characterization of a Protein Goswami N, Makhal A, Pal SK
15244 - 15253	A Theoretical Investigation of the Photophysical Consequences of Major Plant Light-Harvesting Complex Aggregation within the Photosynthetic Membrane Duffy CDP, Johnson MP, Macernis M, Valkunas L, Barford W, Ruban AV
15254 - 15260	Fluorescence Decay Dynamics of Flavin Adenine Dinucleotide in a Mixture of Alcohol and Water in the Femtosecond and Nanosecond Time Range Nakabayashi T, Islam MS, Ohta N
15261 - 15268	Glycosidic-Bond Hydrolysis Mechanism Catalyzed by Cellulase Cel7A from Trichoderma reesei: A Comprehensive Theoretical Study by Performing MD, QM, and QM/MM Calculations Li JH, Du LK, Wang LS
15269 - 15277	Excited-State Vibrational Coherence in Methanol Solution of Zn-II Tetrakis(N-methylpyridyl)porphyrin: Charge-Dependent Intermolecular Mode Frequencies and Implications for Electron-Transfer Dynamics in Photosynthetic Reaction Centers Dillman KL, Beck WF
15278 - 15287	Sequence-Selective Binding of Phenazinium Dyes Phenosafranin and Safranin O to Guanine-Cytosine Deoxyribopolynucleotides: Spectroscopic and Thermodynamic Studies Saha I, Hossain M, Kumar GS
15288 - 15295	Disordered versus Fibril-like Amyloid beta (25-35) Dimers in Water: Structure and Thermodynamics Kittner M, Knecht V
15296 - 15300	QM/MM Study on the Reaction Mechanism of O-6-Alkylguanine-DNA Alkyltransferase Hou QQ, Du LK, Gao J, Liu YJ, Liu CB
15301 - 15310	New Insights into the Structures of Ligand-Quadruplex Complexes from Molecular Dynamics Simulations Hou JQ, Chen SB, Tan JH, Ou TM, Luo HB, Li D, Xu J, Gu LQ, Huang ZS
15311 - 15318	Designing Molecular Switches Based on DNA-Base Mispairing Jissy AK, Datta A
15319 - 15330	Vibrational Analysis of Amino Acids and Short Peptides in Hydrated Media. VIII. Amino Acids with Aromatic Side Chains: L-Phenylalanine, L-Tyrosine, and L-Tryptophan Hernandez B, Pfluger F, Adenier A, Kruglik SG, Ghomi M
15331 - 15344	Vibrational Stark Effect Spectroscopy at the Interface of Ras and Rap1A Bound to the Ras Binding Domain of RalGDS Reveals an Electrostatic Mechanism for Protein-Protein Interaction Stafford AJ, Ensign DL, Webb LJ
15345 - 15353	H-1 Hyperfine Interactions in the Mn-Cluster of Photosystem II in the S-2 State Detected by Hyperfine Sublevel Correlation Spectroscopy Martinez JI, Yruela I, Picorel R, Alonso PJ
15354 - 15361	Mechanism of Formation and Construction of Self-Assembled Myoglobin/Hyaluronic Acid Multilayer Films: An Electrochemical QCM, Impedance, and AFM Study Pinto EM, Barsan MM, Brett CMA
15362 - 15369	On the Origin of Fluorescence in Bacteriophytochrome Infrared Fluorescent Proteins Samma AA, Johnson CK, Song SA, Alvarez S, Zimmer M
15370 - 15379	Femtosecond to Microsecond Photochemistry of a [FeFe]hydrogenase Enzyme Model Compound Kaziannis S, Santabarbara S, Wright JA, Greetham GM, Towrie M, Parker AW, Pickett CJ, Hunt NT
15380 - 15388	Density Functional Theory Calculations on Ruthenium(IV) Bis(amido) Porphyrins: Search for a Broader Perspective of Heme Protein Compound II Intermediates Gonzalez E, Brothers PJ, Ghosh A
15389 - 15393	Mechanism of Xylobiose Hydrolysis by GH43 beta-Xylosidase Barker IJ, Petersen L, Reilly PJ
15394 - 15402	Nonsteroidal Anti-inflammatory Drug Naproxen Destabilizes A beta Amyloid Fibrils: A Molecular Dynamics Investigation Takeda T, Kumar R, Raman EP, Klimov DK
15403 - 15412	Diffusion-Dependent Mechanisms of Receptor Engagement and Viral Entry Gibbons MM, Chou T, D'Orsogna MR
15413 - 15423	Quantum Refinement of Protein Structures: Implementation and Application to the Red Fluorescent Protein DsRed.M1 Hsiao YW, Sanchez-Garcia E, Doerr M, Thiel W
15424 - 15428	Crystallinity of Purple Membranes Comprising the Chloride-Pumping Bacteriorhodopsin Variant D85T and Its Modulation by pH and Salinity Rhinow D, Chizhik I, Baumann RP, Noll F, Hampp N