Journal of Physical Chemistry B

Journal of Physical Chemistry B, Vol.114, No.1 Entire volume, number list

ISSN: 1520-6106 (Print)

In this Issue (83 articles)

2 - 9	Synchrotron X-ray Tomography for 3D Chemical Distribution Measurement of a Flame Retardant and Synergist in a Fiberglass-Reinforced Polymer Blend Barnett HA, Ham K, Scorsone JT, Butlert LG
10 - 21	Patterned Electroconvective States in a Bent-Core Nematic Liquid Crystal Tadapatri P, Hiremath US, Yelamaggad CV, Krishnamurthy KS
22 - 27	Two-Photon Absorption Property of a Conjugated Polymer: Influence of Solvent and Concentration on Its Property Wang HL, Li Z, Shao P, Qin JG, Huang ZL
28 - 35	Thermodynamics of Glass/Crystal Transformation in Se58Ge42-xPbx (9 <= x <= 20) Glasses Deepika, Saxena NS
36 - 41	Dynamic Monte Carlo Simulation for Highly Efficient Polymer Blend Photovoltaics Meng LY, Shang Y, Li QK, Li YF, Zhan XW, Shuai ZG, Kimber RGE, Walker AB
42 - 48	Significant Effect of Bromo Substituents on Nonlinear Optical Properties of Polymer and Chromophores Zhang CZ, Wang CY, Im C, Lu GY, Wang CS
49 - 58	Systematic Docking Study of the Carbohydrate Binding Module Protein of Cel7A with the Cellulose I alpha Crystal Model Yui T, Shiiba H, Tsutsumi Y, Hayashi S, Miyata T, Hirata F
59 - 65	Carbon-13 NMR Relaxation Study of the Internal Dynamics in Cyclodextrins in Isotropic Solution Bernatowicz P, Ruszczynska-Bartnik K, Ejchart A, Dodziuk H, Kaczorowska E, Ueda H
66 - 76	Modulation of Size and Shape of Au Nanoparticles Using Amino-X-Shaped Poly(ethylene oxide)-Poly(propylene oxide) Block Copolymers Goy-Lopez S, Taboada P, Cambon A, Juarez J, Alvarez-Lorenzo C, Concheiro A, Mosquera V
77 - 83	Synthesis, Texture, and Photoluminescence of Lanthanide-Containing Chitosan-Silica Hybrids Liu FY, Carlos LD, Ferreira RAS, Rocha J, Ferro MC, Tourrette A, Quignard F, Robitzer M
84 - 91	Spectroscopic Studies on the Competitive Interaction between Polystyrene Sodium Sulfonate with Polycations and the N-Tetradecyl Trimethyl Ammonium Bromide Surfactant Estrela-Lopis I, Ramos JJI, Donath E, Moya SE
92 - 100	Molecular Ordering and Molecular Dynamics in Isotactic-Polypropylene Characterized by Solid State NMR Miyoshi T, Mamun A, Hu W
101 - 106	Molecular Aggregation Behavior of Perylene-Bridged Bis(beta-cyclodextrin) and Its Electronic Interactions upon Selective Binding with Aromatic Guests Wang KR, Guo DS, Jiang BP, Sun ZH, Liu Y
107 - 114	Simulation of Protein-Imprinted Polymers. 1. Imprinted Pore Properties Levi L, Srebnik S
115 - 119	Fe-2(SO4)(3) as a Binary Oxidant and Dopant to Thin Polyaniline Nanowires with High Conductivity Ding HJ, Long YZ, Shen JY, Wan MX
120 - 127	Molecular Host-Guest Energy-Transfer System with an Ultralow Amplified Spontaneous Emission Threshold Employing an Ambipolar Semiconducting Host Matrix Toffanin S, Capelli R, Hwu TY, Wong KT, Plotzing T, Forst M, Muccini M
128 - 134	Time-Resolved Fluorescence Study of Aggregation-Induced Emission Enhancement by Restriction of Intramolecular Charge Transfer State Gao BR, Wang HY, Hao YW, Fu LM, Fang HH, Jiang Y, Wang L, Chen QD, Xia H, Pan LY, Ma YG, Sun HB
135 - 140	Facile Fabrication of Efficient Organic CMOS Circuits Dzwilewski A, Matyba P, Edman L
141 - 150	Small Molecular Glasses Based on Multiposition Encapsulated Phenyl Benzimidazole Iridium(III) Complexes: Toward Efficient Solution-Processable Host-Free Electrophosphorescent Diodes Xu H, Yu DH, Liu LL, Yan PF, Jia LW, Li GM, Yue ZY
151 - 164	On the Maxwell-Stefan Approach to Diffusion: A General Resolution in the Transient Regime for One-Dimensional Systems Leonardi E, Angeli C
165 - 173	Long-Range Ordering in the Lyotropic Lamellar Phase Studied by High-Resolution Magnetic Resonance Diffusion-Weighted Imaging Szutkowski K, Jurga S
174 - 186	Magnetic Field Alignable Domains in Phospholipid Vesicle Membranes Containing Lanthanides Beck P, Liebi M, Kohlbrecher J, Ishikawa T, Ruegger H, Zepik H, Fischer P, Walde P, Windhab E
187 - 197	Dynamic Theory of Liquid Junction Potentials Dickinson EJF, Freitag L, Compton RG
198 - 206	Cross-Linked Poly(vinyl alcohol)-Poly(acrylonitrile-co-2-dimethylamino ethylmethacrylate) Based Anion-Exchange Membranes in Aqueous Media Kumar M, Singh S, Shahi VK
207 - 214	Packing Behaviors of Structurally Different Polyhedral Oligomeric Silsesquioxane-Imidazolium Surfactants in Clay Toh CL, Xi LF, Lau SK, Pramoda KP, Chua YC, Lu XH
215 - 219	Frustrated Phase Transformations in Supported, Interdigitating Lipid Bilayers Sanii B, Szmodis AW, Bricarello DA, Oliver AE, Parikh AN
220 - 227	A PGSE-NMR Study of Molecular Self-Diffusion in Lamellar Phases Doped with Polyoxometalates Poulos AS, Constantin D, Davidson P, Imperor M, Judeinstein P, Pansu B
228 - 234	Orientational Mechanisms in Liquid Crystalline Systems. 1. A Reaction Field Analytical Description of the Interaction between the Electric Quadrupole Moment of a Probe Solute and the Electric Field Gradient of a Nematic Solvent Celebre G, Ionescu A
235 - 241	Orientational Mechanisms in Liquid Crystalline Systems. 2. The Contribution to Solute Ordering from the Reaction Field Interaction between the Solute Electric Quadrupole Moment and the Solvent Electric Field Gradient Celebre G, Ionescu A
242 - 253	Molecular Property Investigations of an ortho-Hydroxy Schiff Base Type Compound with the First-Principle Molecular Dynamics Approach Jezierska-Mazzarello A, Vuilleumier R, Panek JJ, Ciccotti G
254 - 268	Solvation Dynamics of Dipolar Probes in Dipolar Room Temperature Ionic Liquids: Separation of Ion-Dipole and Dipole-Dipole Interaction Contributions Kashyap HK, Biswas R
269 - 279	Theoretical and Experimental Considerations on the Enthalpic Relaxation of Organic Glasses using Differential Scanning Calorimetry Mao C, Chamarthy SP, Byrn SR, Pinal R
280 - 292	Bayesian Detection of Intensity Changes in Single Molecule and Molecular Dynamics Trajectories Ensign DL, Pande VS
293 - 297	Hydrogen Bond Lifetimes and Clustering of Methanol in Carbon Tetrachloride Solutions Bloch K, Lawrence CP
298 - 310	Lattice Dynamics and Thermodynamics of Molybdenum from First-Principles Calculations Zeng ZY, Hu CE, Cai LC, Chen XR, Jing FQ
311 - 320	Dynamic Solvent Effects in Electrochemical Kinetics: Indications for a Switch of the Relevant Solvent Mode Zagrebin PA, Buchner R, Nazmutdinov RR, Tsirlina GA
321 - 329	trans-Pyridyl and Naphthyridyl Cinnamides as Alternatives for Urea in Complexation of Carboxylic Acid and Formation of Water-Templated Assemblies in the Solid State Ghosh K, Sen T, Frohlich R, Petsalakis ID, Theodorakopoulos G
330 - 332	Thermochemistry of Gaseous Ammonium Nitrate, NH4NO3(g) Hildenbrand DL, Lau KH, Chandra D
333 - 339	Kinetics of Proton Migration in Liquid Water Chen HN, Voth GA, Agmon N
340 - 348	Self-Aggregation Behavior of Fluorescent Carbazole-Tailed Imidazolium Ionic Liquids in Aqueous Solutions Dong B, Gao YA, Su YJ, Zheng LQ, Xu JK, Inoue T
349 - 360	Theoretical and Experimental Studies of the Isomeric Protonation in Solution for a Prototype Aliphatic Ring Containing Two Nitrogens Nagy PI, Maheshwari A, Kim YW, Messer WS
361 - 367	Triadic Intramolecular Charge Transfer Compound of Tetrathiafulvalene Exhibiting Multicolor Solvatochromism Zhu QY, Huo LB, Qin YR, Zhang YP, Lu ZJ, Wang JP, Dai J
368 - 375	Deprotonation and Oligomerization in Photo-, Radiolytically, and Electrochemically Induced Redox Reactions in Hydrophobic Alkylalkylimidazolium Ionic Liquids Shkrob IA
376 - 381	Contrasting Thermosolvatochromic Trends in Pyridinium-, Pyrrolidinium-, and Phosphonium-Based Ionic Liquids Khupse ND, Kumar A
382 - 386	Charge Transport and Dipolar Relaxations in Imidazolium-Based Ionic Liquids Krause C, Sangoro JR, Iacob C, Kremer F
387 - 395	Viscosity of Nanoconfined Polyamide-6,6 Oligomers: Atomistic Reverse Nonequilibrium Molecular Dynamics Simulation Eslami H, Muller-Plathe F
396 - 406	Two-Dimensional Symmetrical Mixtures in an External Field of Square Symmetry Patrykiejew A, Sokolowski S
407 - 411	Phase Behaviors of Room Temperature Ionic Liquid Linked with Cation Conformational Changes: 1-Butyl-3-methylimidazolium Hexafluorophosphate Endo T, Kato T, Tozaki K, Nishikawa K
412 - 420	Nature of Chemical and Topological Disorder in Borogermanate Glasses: Insights from B-11 and O-17 Solid-State NMR and Quantum Chemical Calculations Lee SK, Kim HN, Lee BH, Kim HI, Kim EJ
421 - 428	Conformational and Solvation Studies via Computer Simulation of the Novel Large Scale Diastereoselectively Synthesized Phosphinic MMP Inhibitor RXP03 Diluted in Selected Solvents Matziari M, Dellis D, Dive V, Yiotakis A, Samios J
429 - 436	Evaluation and Optimization of a Force Field for Crystalline Forms of Mannitol and Sorbitol de Waard H, Amani A, Kendrick J, Hinrichs WLJ, Frijlink HW, Anwar J
437 - 447	The Effect of Calcium Ions and Peptide Ligands on the Relative Stabilities of the Calmodulin Dumbbell and Compact Structures Wyttenbach T, Grabenauer M, Thalassinos K, Scrivens JH, Bowers MT
448 - 456	A Langmuir Monolayer Study of the Interaction of E1(145-162) Hepatitis G Virus Peptide with Phospholipid Membranes Sanchez-Martin MJ, Haro I, Alsina MA, Busquets MA, Pujol M
457 - 462	Solvent Properties Governing Solute Partitioning in Polymer/Polymer Aqueous Two-Phase Systems: Nonionic Compounds Madeira PP, Reis CA, Rodrigues AE, Mikheeva LM, Zaslavsky BY
463 - 470	Molecular Modeling of Two Distinct Triangular Oligomers in Amyloid beta-protein Zheng J, Yu X, Wang JD, Yang JC, Wang QM
471 - 479	Effects of Bioconjugation on the Structures and Electronic Spectra of CdSe: Density Functional Theory Study of CdSe-Adenine Complexes Kim HS, Jang SW, Chung SY, Lee S, Lee Y, Kim B, Liu C, Neuhauser D
480 - 486	Direct and Selective Immobilization of Proteins by Means of an Inorganic Material-Binding Peptide: Discussion on Functionalization in the Elongation to Material-Binding Peptide Yokoo N, Togashi T, Umetsu M, Tsumoto K, Hattori T, Nakanishi T, Ohara S, Takami S, Naka T, Abe H, Kumagai I, Adschiri T
487 - 494	The Network of Receptors Characterize B Cell Receptor Micro- and Macroclustering in a Monte Carlo Model Reddy AS, Chilukuri S, Raychaudhuri S
495 - 502	pH Induced Structural Modulation and Interfacial Activity of Hemoglobin at the Air/Water Interface Mahato M, Pal P, Kamilya T, Sarkar R, Talapatra GB
503 - 510	Experimental Study on Conformational Changes of Lysozyme in Solution Induced by Pulsed Electric Field and Thermal Stresses Zhao W, Yang RJ
511 - 520	Investigation of the Resonance Raman Spectra and Excitation Profiles of a Monometallic Ruthenium(II) [Ru(bpy)(2)(HAT)](2+) Complex by Time-Dependent Density Functional Theory Guthmuller J, Champagne B, Moucheron C, Kirsch-De Mesmaeker A
521 - 530	Structural and Energetic Analysis on the Complexes of Clinically Isolated Subtype C HIV-1 Proteases and Approved Inhibitors by Molecular Dynamics Simulation Matsuyama S, Aydan A, Ode H, Hata M, Sugiura W, Hoshino T
531 - 540	The Role of Nonbonded Interactions in the Conformational Dynamics of Organophosphorous Hydrolase Adsorbed onto Functionalized Mesoporous Silica Surfaces Gomes DEB, Lins RD, Pascutti PG, Lei CH, Soares TA
541 - 548	DNA Complexes Containing Joined Triplex and Duplex Motifs: Melting Behavior of Intramolecular and Bimolecular Complexes with Similar Sequences Lee HT, Khutsishvili I, Marky LA
549 - 556	Curvature of Purple Membranes Comprising Permanently Wedge-Shaped Bacteriorhodopsin Molecules Is Regulated by Lipid Content Rhinow D, Hampp N
557 - 568	Effects of Urea, Tetramethyl Urea, and Trimethylamine N-Oxide on Aqueous Solution Structure and Solvation of Protein Backbones: A Molecular Dynamics Simulation Study Wei HY, Fan YB, Gao YQ
569 - 576	Nanopores in Single- and Double-Layer Plasma Polymers Used for Cell Guidance in Water and Protein Containing Buffer Solutions Zelzer M, Alexander MR
577 - 584	Protein-Directed Spatial Rearrangement of Glycolipids at the Air-Water Interface for Bivalent Protein Binding: In Situ Infrared Reflection Absorption Spectroscopy Zheng HF, Du XZ
585 - 591	Evaluating the Intrinsic Cysteine Redox-Dependent States of the A-Chain of Human Insulin Using NMR Spectroscopy, Quantum Chemical Calculations, and Mass Spectrometry Sharma AK, Ling Y, Greer AB, Hafler DA, Kent SC, Zhang Y, Rigby AC
592 - 603	Properties of Hydrated Excess Protons near Phospholipid Bilayers Yamashita T, Voth GA
604 - 612	An Atomistic Model for Simulations of the General Anesthetic Isoflurane Henin J, Brannigan G, Dailey WP, Eckenhoff R, Klein ML
613 - 619	Ion Solvation in a Water-Urea Mixture Yamazaki T, Kovalenko A, Murashov VV, Patey GN
620 - 625	Time-Lapse Atomic Force Microscopy Observations of the Morphology, Growth Rate, and Spontaneous Alignment of Nanofibers Containing a Peptide-Amphiphile from the Hepatitis G Virus (NS3 Protein) Weronski KJ, Cea P, Diez-Perez I, Busquets MA, Prat J, Girona V
626 - 632	Higher Susceptibility to Halothane Modulation in Open- Than in Closed-Channel alpha 4 beta 2 nAChR Revealed by Molecular Dynamics Simulations Liu LT, Haddadian EJ, Willenbring D, Xu Y, Tang P
633 - 637	Mean Excitation Energies and Energy Deposition Characteristics of Bio-organic Molecules Bruun-Ghalbia S, Sauer SPA, Oddershede J, Sabin JR
638 - 642	Direct Binding of Thymopentin to Surface Class II Major Histocompatibility Complex in Living Cells Liu ZJ, Wang J, Wang EK
643 - 650	Can Salting-In/Salting-Out Ions be Classified as Chaotropes/Kosmotropes? Zangi R
651 - 659	Local Order, Energy, and Mobility of Water Molecules in the Hydration Shell of Small Peptides Agarwal M, Kushwaha HR, Chakravarty C
660 - 665	Synchronously Amplified Fluorescence Image Recovery (SAFIRe) Richards CI, Hsiang JC, Dickson RM
666 - 674	Oxidation and Reduction Products of X Irradiation at 10 K in Sucrose Single Crystals: Radical Identification by EPR, ENDOR, and DFT De Cooman H, Pauwels E, Vrielinck H, Sagstuen E, Waroquier M, Callens F
675 - 680	Radical Scavenging Reactivity of Catecholamine Neurotransmitters and the Inhibition Effect for DNA Cleavage Kawashima T, Ohkubo K, Fukuzumi S
681 - 687	Theoretical Study of Chlorophyll a Hydrates Formation in Aqueous Organic Solvents Ben Fredj A, Ruiz-Lopez MF
688 - 688	Comment on "Hyperquenched Glassy Water and Hyperquenched Glassy Ethanol Probed by Single Molecule Spectroscopy" Leporini D