Journal of Physical Chemistry B

Journal of Physical Chemistry B, Vol.116, No.10 Entire volume, number list

ISSN: 1520-6106 (Print)

In this Issue (45 articles)

3045 - 3053	Monte Carlo Simulation on Complex Formation of Proteins and Polysaccharides Li YQ, Shi TF, An LJ, Huang QR
3054 - 3064	Investigation of Nanostructure in Room Temperature Ionic Liquids using Electronic Excitation Transfer Fruchey K, Lawler CM, Fayer MD
3065 - 3074	What Can We Learn from Ionic Conductivity Measurements in Polymer Electrolytes? A Case Study on Poly(ethylene oxide) (PEO)-NaI and PEO-LiTFSI Stolwijk NA, Wiencierz M, Heddier C, Kosters J
3075 - 3082	Host-Guest Chemistry of Dendrimer-Drug Complexes: 7. Formation of Stable Inclusions between Acetylated Dendrimers and Drugs Bearing Multiple Charges Fang M, Zhang JH, Wu QL, Xu TW, Cheng YY
3083 - 3091	Structural, Dynamical, and Thermodynamical Properties of Carbon Nanotube Polycarbonate Composites: A Molecular Dynamics Study Chakraborty S, Roy S
3092 - 3098	Effect of High Pressure on the Typical Supramolecular Structure of Guanidinium Methanesulfonate Li SR, Li Q, Zhou J, Wang R, Jiang ZM, Wang K, Xu DP, Liu J, Liu BB, Zou GT, Zou B
3099 - 3105	Binary n-Alkane Mixtures from Total Miscibility to Phase Separation in Microcapsules: Enrichment of Shorter Component in Surface Freezing and Enhanced Stability of Rotator Phases Fu DS, Liu YF, Gao X, Su YL, Liu GM, Wang DJ
3106 - 3114	Formation of Polyelectrolyte Multilayers by Flexible and Semiflexible Chains Wu B, Li CL, Yang HY, Liu GM, Zhang GZ
3115 - 3124	Adsorption from Binary Solutions on the Polymer-Tethered Surfaces Borowko M, Sokolowski S, Staszewski T
3125 - 3137	Tuning of Thermally Induced Sol-to-Gel Transitions of Moderately Concentrated Aqueous Solutions of Doubly Thermosensitive Hydrophilic Diblock Copolymers Poly(methoxytri(ethylene glycol) acrylate)-b-poly(ethoxydi(ethylene glycol) acrylate-co-acrylic acid) Jin NX, Zhang H, Jin S, Dadmun MD, Zhao B
3138 - 3147	Nanomechanical Properties of Polyethylene Glycol Brushes on Gold Substrates Stan G, DelRio FW, MacCuspie RI, Cook RF
3148 - 3154	Molecular Rearrangement in a Zinc Stearate Langmuir Film Dependent on a Film Preparation Method Studied Using Polarization-Modulation Infrared Reflection Absorption Spectroscopy and X-ray Absorption Fine Structure Muro M, Harada M, Okada T, Hasegawa T
3155 - 3163	Comparative Characteristics of Membrane-Active Single-Chained Ether Phospholipids: PAF and Lyso-PAF in Langmuir Monolayers Flasinski M, Broniatowski M, Wydro P, Dynarowicz-Latka P
3164 - 3179	Derivation and Systematic Validation of a Refined All-Atom Force Field for Phosphatidylcholine Lipids Jambeck JPM, Lyubartsev AP
3180 - 3187	Nonadditive Penetrable Mixtures in Nanopores: Surface-Induced Population Inversion Kim EY, Kim SC, Seong BS
3188 - 3197	Molecular Modeling of the Dissociation of Methane Hydrate in Contact with a Silica Surface Bagherzadeh SA, Englezos P, Alavi S, Ripmeester JA
3198 - 3204	Molecular Dynamics Simulations of the Surface Tension and Structure of Salt Solutions and Clusters Sun L, Li X, Hede T, Tu YQ, Leck C, Agren H
3205 - 3219	Perrhenate Complexation by Uranyl in Traditional Solvents and in Ionic Liquids: A Joint Molecular Dynamics/Spectroscopic Study Chaumont A, Klimchuk O, Gaillard C, Billard I, Ouadi A, Hennig C, Wipff G
3220 - 3234	Comparisons of Computational and Experimental Thermochemical Properties of alpha-Amino Acids Uddin KM, Warburton PL, Poirier RA
3235 - 3238	Oxidation Potentials of Functionalized Sulfone Solvents for High-Voltage Li-Ion Batteries: A Computational Study Shao N, Sun XG, Dai S, Jiang DE
3239 - 3248	Transferable Force Field for Carboxylate Esters: Application to Fatty Acid Methylic Ester Phase Equilibria Prediction Ferrando N, Lachet V, Boutin A
3249 - 3263	Local Structure Evolution and its Connection to Thermodynamic and Transport Properties of 1-Butyl-3-methylimidazolium Tetrafluoroborate and Water Mixtures by Molecular Dynamics Simulations Zhong XJ, Fan Z, Liu ZP, Cao DP
3264 - 3269	Growth of Isotropic Domains As a Mechanism of Dynamic Diffraction Grating Recording in Low Molecular Liquid-Crystalline Derivatives of Azobenzene Czajkowski M, Bartkiewicz S, Mysliwiec J
3270 - 3279	Inactivation of Ovine Cyclooxygenase-1 by Bromoaspirin and Aspirin: A Quantum Chemistry Description Barroso-Neto IL, Marques JPC, da Costa RF, Caetano EWS, Cavada BS, Gottfried C, Freire VN
3280 - 3291	Structures of the Amyloid beta-Peptides A beta(1-40) and A beta(1-42) as Influenced by pH and a D-Peptide Olubiyi OO, Strodel B
3292 - 3304	Effects of Organic Solvent and Crystal Water on gamma-Chymotrypsin in Acetonitrile Media: Observations from Molecular Dynamics Simulation and DFT Calculation Zhu LJ, Yang W, Meng YY, Xiao XC, Guo YZ, Pu XM, Li ML
3305 - 3312	Insights into Structural Properties of Denatured Human Prion 121-230 at Melting Temperature Studied by Replica Exchange Molecular Dynamics Tang JL, Wu PJ, Wang SC, Lee CI
3313 - 3321	Building a Model of the Blue Cone Pigment Based on the Wild Type Rhodopsin Structure with QM/MM Methods Frahmcke JS, Wanko M, Elstner M
3322 - 3330	Frequency Distribution of the Amide-I Vibration Sorted by Residues in Amyloid Fibrils Revealed by 2D-IR Measurements and Simulations Falvo C, Zhuang W, Kim YS, Axelsen PH, Hochstrasser RM, Mukamel S
3331 - 3343	Identification of Domains in Protein Structures from the Analysis of Intramolecular Interactions Genoni A, Morra G, Colombo G
3344 - 3352	Conformation Types of Ubiquitin [M+8H](8+) Ions from Water:Methanol Solutions: Evidence for the N and A States in Aqueous Solution Shi HL, Pierson NA, Valentine SJ, Clemmer DE
3353 - 3360	A Theoretical Reappraisal of Polylysine in the Investigation of Secondary Structure Sensitivity of Infrared Spectra Polzi LZ, Daidone I, Amadei A
3361 - 3368	Cocaine Esterase-Cocaine Binding Process and the Free Energy Profiles by Molecular Dynamics and Potential of Mean Force Simulations Huang XQ, Zhao XY, Zheng F, Zhan CG
3369 - 3379	An Understanding of the Modulation of Photophysical Properties of Curcumin inside a Micelle Formed by an Ionic Liquid: A New Possibility of Tunable Drug Delivery System Ghatak C, Rao VG, Mandal S, Ghosh S, Sarkar N
3380 - 3386	Spectral Resolution of the Primary Electron Acceptor A(0) in Photosystem I Chauvet A, Dashdorj N, Golbeck JH, Johnson TW, Savikhin S
3387 - 3396	Free Energy Difference in Indolicidin Attraction to Eukaryotic and Prokaryotic Model Cell Membranes Yeh IC, Ripoll DR, Wallqvist A
3397 - 3410	Multiphoton Absorption of Myoglobin-Nitric Oxide Complex: Relaxation by D-NEMD of a Stationary State Cottone G, Lattanzi G, Ciccotti G, Elber R
3411 - 3420	Interdomain Flexibility and pH-Induced Conformational Changes of AcrA Revealed by Molecular Dynamics Simulations Wang BB, Weng JW, Fan KN, Wang WN
3421 - 3429	Opposing Effects of Na+ and K+ on the Thermal Stability of Na+,K+-ATPase Kaufman SB, Gonzalez-Flecha FL, Gonzalez-Lebrero RM
3430 - 3435	Folding of a Helix Is Critically Stabilized by Polarization of Backbone Hydrogen Bonds: Study in Explicit Water Duan LL, Gao Y, Mei Y, Zhang QG, Tang B, Zhang JZH
3436 - 3444	Hydration Dynamics of a Halophilic Protein in Folded and Unfolded States Qvist J, Ortega G, Tadeo X, Millet O, Halle B
3445 - 3456	Assigning Structures to Gas-Phase Peptide Cations and Cation-Radicals. An Infrared Multiphoton Dissociation, Ion Mobility, Electron Transfer, and Computational Study of a Histidine Peptide Ion Moss CL, Chamot-Rooke J, Nicol E, Brown J, Campuzano I, Richardson K, Williams JP, Bush MF, Bythell B, Paizs B, Turecek F
3457 - 3466	Electron Transfer in Rhodobacter sphaeroides Reaction Centers Containing Zn-Bacteriochlorophylls: A Hole-Burning Study Neupane B, Jaschke P, Saer R, Beatty JT, Reppert M, Jankowiak R
3467 - 3475	Photoinduced Electron Transfer in Folic Acid Investigated by Ultrafast Infrared Spectroscopy Li GF, Magana D, Dyer RB
3476 - 3476	Crystal Polymorphism of Hexylammonium Chloride and Structural Properties of Its Mixtures with Water (vol 116, pg 2104, 2012) Migliorati V, Ballirano P, Gontrani L, Caminiti R