Journal of Physical Chemistry B

Journal of Physical Chemistry B, Vol.115, No.12 Entire volume, number list

ISSN: 1520-6106 (Print)

In this Issue (66 articles)

2691 - 2698	Amyloid Fibrils Formation of Concanavalin A at Bask pH Carrotta R, Vetri V, Librizzi F, Martorana V, Militello V, Leone M
2699 - 2708	Vibronic Spectra of Perylene Bisimide Oligomers: Effects of Intermolecular Charge-Transfer Excitation and Conformational Flexibility Gao F, Zhao Y, Liang WZ
2709 - 2716	Theory of Hydrostatic Lubrication for Polymer Hydrogel-Coated Surfaces with Excess Salt Sokoloff JB
2717 - 2727	Diffusion and Interfacial Transport of Water in Nafion Zhao QA, Majsztrik P, Benziger J
2728 - 2736	Correlation between Structure and Shape of the Polarized Infrared Absorption Spectra of 4-Chloro-2'-hydroxy-4'-alkyloxyazobenzenes Majewska P, Rospenk M, Czarnik-Matusewicz B, Sobczyk L
2737 - 2747	Parameters of the Protein Energy Landscapes of Several Light-Harvesting Complexes Probed via Spectral Hole Growth Kinetics Measurements Herascu N, Najafi M, Amunts A, Pieper J, Irrgang KD, Picorel R, Seibert M, Zazubovich V
2748 - 2753	How Liposomes Diffuse in Concentrated Liposome Suspensions Yu Y, Anthony SM, Bae SC, Granick S
2754 - 2758	Confined Water Nanofilm Promoting Nonenzymatic Degradation of DNA Molecules Ye M, Li B, Zhang Y, Li H, Wang XY, Hu J
2759 - 2764	Macro- and Microscale Rheological Properties of Poly(vinyl alcohol) Aqueous Solutions Krise KM, Hwang AA, Sovic DM, Milosavljevic BH
2765 - 2773	New Insight into Protein-Ligand Interactions. The Case of the D-Galactose/D-Glucose-Binding Protein from Escherichia coil Stepanenko OV, Stepanenko OV, Povarova OI, Fonin AV, Kuznetsova IM, Turoverov KK, Staiano M, Varriale A, D'Auria S
2774 - 2782	DFT Study of the Interaction between Alkaline Cations and Molecular Bowls Derived from Fullerene Carrazana-Garcia JA, Rodriguez-Otero J, Cabaleiro-Lago EM
2783 - 2790	Phase Separation Induced by Ladder-Like Polymer-Polymer Complexation Nakamura I, Shi AC
2791 - 2800	Structural Properties of Carboxylic Acid Dimers Confined within the Urea Tunnel Structure: An MD Simulation Study Ilott AJ, Palucha S, Batsanov AS, Harris KDM, Hodgkinson P, Wilson MR
2801 - 2813	Simulations of Solid-State Vibrational Circular Dichroism Spectroscopy of (S)-Alternarlactam by Using Fragmentation Quantum Chemical Calculations Jiang N, Tan RX, Ma J
2814 - 2823	Understanding the Molecular Dynamics Associated with Polymorphic Transitions of DL-Norvaline with Solid-State NMR Methods Ren PP, Reichert D, He QH, Zhang LM, Tang HR
2824 - 2830	Selective Self-Assembly of Surface-Functionalized Fullerenes in PS-PEO on Different Substrates Wang J, Chen GX, Sun JL, Li QF
2831 - 2835	Molecular Motion of Amorphous Silicone Polymers Shemella PT, Laino T, Fritz O, Curioni A
2836 - 2841	First-Principles Calculations of Structural, Elastic, Electronic, and Optical Properties of Perovskite-type KMgH3 Crystals: Novel Hydrogen Storage Material Reshak AH, Shalaginov MY, Saeed Y, Kityk IV, Auluck S
2842 - 2849	Computational Study of Hydrocarbon Adsorption in Metal-Organic Framework Ni-2(dhtp) Sun XQ, Wick CD, Thallapally PK, McGrail BP, Dang LX
2850 - 2856	Dynamic Crystallization Kinetics and Nucleation Parameters of a New Generation of Nanocomposites Based on Isotactic Polypropylene and MoS2 Inorganic Nanotubes Naffakh M, Remskar M, Marco C, Gomez-Fatou MA
2857 - 2863	Molecular Dynamics in Supercooled P-Se Liquids near the Glass Transition: Results from P-31 NMR Spectroscopy Gjersing EL, Sen S, Aitken BG
2864 - 2869	Crystallization Behavior of Asymmetric PLLA/PDLA Blends Sun JR, Yu HY, Zhuang XL, Chen XS, Jing XB
2870 - 2881	Rheological Properties of Aqueous Micellar Gels of a Thermo- and pH-Sensitive ABA Triblock Copolymer O'Lenick TG, Jin NX, Woodcock JW, Zhao B
2882 - 2889	Structural and Electronic Properties of Poly[N-(2-cyanoalkyl)pyrrole]s Bearing Small Alkyl Groups Aradilla D, Torras J, Aleman C
2890 - 2898	Dynamics of Colloids in Single Solid-State Nanopores Bacri L, Oukhaled AG, Schiedt B, Patriarche G, Bourhis E, Gierak J, Pelta J, Auvray L
2899 - 2909	Influence of Film Thickness on the Phase Separation Mechanism in Ultrathin Conducting Polymer Blend Films Meier R, Ruderer MA, Diethert A, Kaune G, Korstgens V, Roth SV, Muller-Buschbaum P
2910 - 2915	Site-Dependent Photo-Fries Rearrangement within Serum Albumins Marin M, Lhiaubet-Vallet V, Miranda MA
2916 - 2923	Cross-linked Sulfonated Poly(ether ether ketone) by Using Diamino-organosilicon for Proton Exchange Fuel Cells Kayser MJ, Reinholdt MX, Kaliaguine S
2924 - 2930	Interaction of an Antituberculosis Drug with a Nanoscopic Macromolecular Assembly: Temperature-Dependent Forster Resonance Energy Transfer Studies on Rifampicin in an Anionic Sodium Dodecyl Sulfate Micelle Mondol T, Rajdev P, Makhal A, Pal SK
2931 - 2936	Enhancing the Configurational Sampling of Ions in Aqueous Solution Using Adiabatic Decoupling with Translational Temperature Scaling Kunz APE, van Gunsteren WF
2937 - 2946	Rheological Properties of Polyoxyethylene Cholesteryl Ether Wormlike Micelles in Aqueous System Shrestha RG, Sakai K, Sakai H, Abe M
2947 - 2958	Correlation between Free-Volume Properties and Pervaporative Flux of Polyurethane-Zeolite Composites on Organic Solvent Mixtures Lue SJ, Su IM, Lee DT, Chen HY, Shih CM, Hu CC, Jean YC, Lai JY
2959 - 2969	Atomistic Simulations of Perfluoro Phosphonic and Phosphinic Acid Membranes and Comparisons to Nafion Idupulapati N, Devanathan R, Dupuis M
2970 - 2978	Surface Structure of Sodium Dodecyl Sulfate Surfactant and Oil at the Oil-in-Water Droplet Liquid/Liquid Interface: A Manifestation of a Nonequilibrium Surface State de Aguiar HB, Strader ML, de Beer AGF, Roke S
2979 - 2987	Stability and Comparative Analysis of AOT/Water/Isooctane Reverse Micelle System Using Dynamic Light Scattering and Molecular Dynamics Vasquez VR, Williams BC, Graeve OA
2988 - 2994	Urea-Induced Drying of Hydrophobic Nanotubes: Comparison of Different Urea Models Xiu P, Yang ZX, Zhou B, Das P, Fang HP, Zhou RH
2995 - 3002	Is a Methyl Group Always Hydrophobic? Hydrophilicity of Trimethylamine-N-oxide, Tetramethyl Urea and Tetramethylammonium Ion Koga Y, Westh P, Nishikawa K, Subramanian S
3003 - 3012	Calorimetric Investigation of Triazole-Bridged Fe(II) Spin-Crossover One-Dimensional Materials: Measuring the Cooperativity Roubeau O, Castro M, Burriel R, Haasnoot JG, Reedijk J
3013 - 3019	Physical Properties at the Base for the Development of an All-Atom Force Field for Ethylene Glycol Szefczyk B, Cordeiro MNDS
3020 - 3026	Diamino-Diamido Tetrathiafulvalene for the Sensing of Anions and Cations: A View in Electrochemistry and Structure Shi Z, Lu ZJ, Zhu QY, Huo LB, Han QH, Bian GQ, Dai J
3027 - 3037	Excitation Energies in Solution: The Fully Polarizable QM/MM/PCM Method Steindal AH, Ruud K, Frediani L, Aidas K, Kongsted J
3038 - 3051	Deuterium Isotope Effects on the Ionization Constant of Acetic Acid in H2O and D2O by AC Conductance from 368 to 548 K at 20 MPa Erickson KM, Arcis H, Raffa D, Zimmerman GH, Tremaine PR
3052 - 3061	Toward a Predictive Understanding of Water and Charge Transport in Proton Exchange Membranes Selvan ME, Calva-Munoz E, Keffer DJ
3062 - 3072	Monte Carlo Studies of Drug Nucleation 1: Formation of Crystalline Clusters of Bicalutamide in Water Persson R, Nordholm S, Perlovich G, Lindfors L
3073 - 3084	Molecular Simulations of the Electric Double Layer Structure, Differential Capacitance, and Charging Kinetics for N-Methyl-N-propylpyrrolidinium Bis(fluorosulfonyl)imide at Graphite Electrodes Vatamanu J, Borodin O, Smith GD
3085 - 3090	Accurate Static and Dynamic Properties of Liquid Electrolytes for Li-Ion Batteries from ab initio Molecular Dynamics Ganesh P, Jiang DE, Kent PRC
3091 - 3099	Development of Polarizable Models for Molecular Mechanical Calculations I: Parameterization of Atomic Polarizability Wang JM, Cieplak P, Li J, Hou TJ, Luo R, Duan Y
3100 - 3111	Development of Polarizable Models for Molecular Mechanical Calculations II: Induced Dipole Models Significantly Improve Accuracy of Intermolecular Interaction Energies Wang JM, Cieplak P, Li J, Wang J, Cai Q, Hsieh MJ, Lei HX, Luo R, Duan Y
3112 - 3126	Kinetics and Mechanism of S-Nitrosothiol Add-Catalyzed Hydrolysis: Sulfur Activation Promotes Facile NO+ Release Moran EE, Timerghazin QK, Kwong E, English AM
3127 - 3135	Protein Folding Dynamics of Cytochrome c Seen by Transient Grating and Transient Absorption Spectroscopies Choi J, Yang C, Kim J, Ihee H
3136 - 3145	Theoretical Study of Polaron Formation in Poly(G)-Poly(C) Cations Wu JA, Walker VEJ, Boyd RJ
3146 - 3154	Structure and Thermodynamics of Amylin Dimer Studied by Hamiltonian-Temperature Replica Exchange Molecular Dynamics Simulations Laghaei R, Mousseau N, Wei GH
3155 - 3163	Headgroup Mediated Water Insertion into the DPPC Billayer: A Molecular Dynamics Study Pandey PR, Roy S
3164 - 3171	Bilayer Structure and Lipid Dynamics in a Model Stratum Corneum with Oleic Acid Hoopes MI, Noro MG, Longo ML, Faller R
3172 - 3184	Effects of Solvents, Ligand Aromaticity, and Coordination Sphere on the g Tensor of Anionic o-Semiquinone Radicals Complexed by Mg2+ Ions: DFT Studies Witwicki M, Jezierska J
3185 - 3192	Influence of K+ and Na+ Dons on the Aggregation Processes of Antibiotic Amphotericin B: Electronic Absorption and FTIR Spectroscopic Studies Gagos M, Arczewska M
3193 - 3199	A Sequential Folding Model Predicts Length-Independent Secondary Structure Properties of Long ssRNA Fang LT, Yoffe AM, Gelbart WM, Ben-Shaul A
3200 - 3207	Quantum Theoretical Study of Cleavage of the Glycosidic Bond of 2'-Deoxyadenosine: Base Excision-Repair Mechanism of DNA by MutY Tiwari S, Agnihotri N, Mishra PC
3208 - 3215	Ab Initio Calculations of Deuterium Isotope Effects on Chemical Shifts of Salt-Bridged Lysines Ullah S, Ishimoto T, Williamson MP, Hansen PE
3216 - 3225	Theoretical Spectroscopy of Astaxanthin in Crustacyanin Proteins: Absorption, Circular Dichroism, and Nuclear Magnetic Resonance Neugebauer J, Veldstra J, Buda F
3226 - 3232	Thin Film Voltammetry of Wild Type and Mutant Reaction Center Proteins from Photosynthetic Bacteria Zhang Y, LaFountain AM, Magdaong N, Fuciman M, Allen JP, Frank HA, Rusling JF
3233 - 3239	Dark Excited States of Carotenoid Regulated by Bacteriochlorophyll in Photosynthetic Light Harvesting Nakamura R, Nakagawa K, Nango M, Hashimoto H, Yoshizawa M
3240 - 3244	Substitution Effects in the A- and B-Rings of the Chlorin Macrocycle on Demetalation Properties of Zinc Chlorophyll Derivatives Hirai Y, Sasaki S, Tamiaki H, Kashimura S, Saga Y
3245 - 3253	Correlation of Tryptophan Fluorescence Spectral Shifts and Lifetimes Arising Directly from Heterogeneous Environment Pan CP, Muino PL, Barkley MD, Callis PR
3254 - 3262	Dynamics of Water in Concentrated Solutions of Amphiphiles: Key Roles of Local Structure and Aggregation Stirnemann G, Sterpone F, Laage D
3263 - 3270	Excited-State Dynamics in 6-Thioguanosine from the Femtosecond to Microsecond Time Scale Reichardt C, Guo C, Crespo-Hernandez CE