Journal of Physical Chemistry B

Journal of Physical Chemistry B, Vol.116, No.1 Entire volume, number list

ISSN: 1520-6106 (Print)

In this Issue (88 articles)

1 - 2	Editorial for January 2012 for JPC A/B/C Mccoy AB, Hammes-Schiffer S, Murphy CJ, Schatz GC
3 - 8	Bond Breaking, Electron Pushing, and Proton Pulling: Active and Passive Roles in the Interaction between Aqueous Ions and Water as Manifested in the O 1s Auger Decay Pokapanich W, Ottosson N, Svensson S, Ohrwall G, Winter B, Bjorneholm O
9 - 21	Experimental (IR/Raman and H-1/C-13 NMR) and Theoretical (DFT) Studies of the Preferential Conformations Adopted by L-Lactic Acid Oligomers and Poly(L-lactic acid) Homopolymer Jarmelo S, Marques DAS, Simoes PN, Carvalho RA, Batista CMSG, Araujo-Andrade C, Gil MH, Fausto R
22 - 29	Dynamics of alpha-Tetralone at Elevated Pressure and in Mixture with Oligostyrene Hensel-Bielowka S, Wlodarczyk P, Mierzwa M, Paluch M, Ngai KL
30 - 39	Electrochemically Induced Reversible and Irreversible Coupling of Triarylamines Yurchenko O, Freytag D, Borg LZ, Zentel R, Heinze J, Ludwigs S
40 - 47	Pore Shape of Honeycomb-Patterned Films: Modulation and Interfacial Behavior Wan LS, Ke BB, Zhang J, Xu ZK
48 - 54	Effect of Temperature and Aging Time on the Rheological Behavior of Aqueous Poly(ethylene glycol)/Laponite RD Dispersions Morariu S, Bercea M
55 - 62	Osmium Bipyridine-Containing Redox Polymers Based on Cellulose and Their Reversible Redox Activity Kang HL, Liu RG, Sun HF, Zhen JM, Li QM, Huang Y
63 - 70	Protic Ionic Liquids Based on Decahydroisoquinoline: Lost Superfragility and Ionicity-Fragility Correlation Ueno K, Zhao ZF, Watanabe M, Angell CA
71 - 76	Temperature Dependence of Ion Transport in Dilute Tetrabutylammonium Triflate-Acetate Solutions and Self-Diffusion in Pure Acetate Liquids Bopege DN, Petrowsky M, Fleshman AM, Frech R, Johnson MB
77 - 86	Absorption, Circular Dichroism, and Photoluminescence in Perylene Diimide Bichromophores: Polarization-Dependent H- and J-Aggregate Behavior Kistler KA, Pochas CM, Yamagata H, Matsika S, Spano FC
87 - 94	beta-1,3-D-Glucan Schizophyllan/Poly(dA) Triple-Helical Complex in Dilute Solution Sanada Y, Matsuzaki T, Mochizuki S, Okobira T, Uezu K, Sakurai K
95 - 103	Computer Simulations of Gas Diffusion in Polystyrene-C-60 Fullerene Nanocomposites Using Trajectory Extending Kinetic Monte Carlo Method Hanson B, Pryamitsyn V, Ganesan V
104 - 112	Modeling the Behavior of Coarse-Grained Polymer Chains in Charged Water Droplets: Implications for the Mechanism of Electrospray Ionization Ahadi E, Konermann L
113 - 119	Experimental and Theoretical Enthalpies of Formation of Glycine-Based Sulfate/Bisulfate Amino Acid Ionic Liquids Zhu JF, He L, Zhang L, Huang M, Tao GH
120 - 129	Predictive Model for Diffusion-Limited Aggregation Kinetics of Nanocolloids under High Concentration Lattuada M
130 - 135	Recognition-Mediated Light-Up of Thiazole Orange with Cucurbit[8]uril: Exchange and Release by Chemical Stimuli Mohanty J, Thakur N, Choudhury SD, Barooah N, Pal H, Bhasikuttan AC
136 - 146	Comprehensive Solid-State NMR Analysis Reveals the Effects of N-Methylation on the Molecular Dynamics of Glycine Huang J, Jiang LM, Ren PP, Zhang LM, Tang HR
147 - 153	Phase Transitions in Prequenched Mesomorphic Isotactic Polypropylene during Heating and Annealing Processes As Revealed by Simultaneous Synchrotron SAXS and WAXD Technique Zhao JC, Wang ZG, Niu YH, Hsiao BS, Piccarolo S
154 - 159	Optoelectronic Properties of Hyperbranched Polythiophenes Mangold HS, Richter TV, Link S, Wurfel U, Ludwigs S
160 - 167	Structure-Behavior-Property Relationship Study of Surfactants as Foam Stabilizers Explored by Experimental and Molecular Simulation Approaches Hu XY, Li Y, He XJ, Li CX, Li ZQ, Cao XL, Xin X, Somasundaran P
168 - 178	Temperature Effect on the Bilayer Stacking in Multilamellar Lipid Vesicles Valerio J, Lameiro MH, Funari SS, Moreno MJ, Melo E
179 - 188	Investigation of Model Membrane Disruption Mechanism by Melittin using Pulse Electron Paramagnetic Resonance Spectroscopy and Cryogenic Transmission Electron Microscopy Gordon-Grossman M, Zimmermann H, Wolf SG, Shai Y, Goldfarb D
189 - 193	Orientation of alpha-Sexithiophene on Friction-Transferred Polythiophene Film Mizokuro T, Heck C, Tanigaki N
194 - 202	Rotational Dynamics of Coumarin-153 and 4-Aminophthalimide in 1-Ethyl-3-methylimidazolium Alkylsulfate Ionic Liquids: Effect of Alkyl Chain Length on the Rotational Dynamics Das SK, Sarkar M
203 - 210	Update of the Cholesterol Force Field Parameters in CHARMM Lim JB, Rogaski B, Klauda JB
211 - 220	Matrix and Polymer Soft-Landing Isolation of Selected Acids with Pyridine and Poly(4-vinylpyridine): A Comparative Infrared Spectroscopic Study of Hydrogen Bonding Lifschitz AM, Rodgers JM, Samet C
221 - 231	Symmetric C-C Stretching Mode Splitting versus CH2-Chain Conformation Order in Sodium Montmorillonite Modified by Cetyltrimethylammonium Bromide Sagitova EA, Donfack P, Prokhorov KA, Nikolaeva GY, Gerasin VA, Merekalova ND, Materny A, Antipov EM, Pashinin PP
232 - 239	Scattering Density Profile Model of POPG Bilayers As Determined by Molecular Dynamics Simulations and Small-Angle Neutron and X-ray Scattering Experiments Kucerka N, Holland BW, Gray CG, Tomberli B, Katsaras J
240 - 243	Self-Assembly Process of Peptide Amphiphile Worm-Like Micelles Shimada T, Sakamoto N, Motokawa R, Koizumi S, Tirrell M
244 - 252	Molecular Dynamics Simulations of Membranes Composed of Glycolipids and Phospholipids Kapla J, Stevensson B, Dahlberg M, Maliniak A
253 - 260	Effect of Pressure on the Solubilization of a Fluorescent Merocyanine Dye by a Nonionic Surfactant Alamiry MAH, Benniston AC, Harriman A
261 - 268	Structural Investigation of Nonionic Fluorinated Micelles by SANS in Relation to Mesoporous Silica Materials Michaux F, Blin JL, Teixeira J, Stebe MJ
269 - 276	Cationic Dimyristoylphosphatidylcholine and Dioleoyloxytrimethylammonium Propane Lipid Bilayers: Atomistic Insight for Structure and Dynamics Zhao W, Gurtovenko AA, Vattuainen I, Karttunen M
277 - 282	Electrochemical Determination of pK(a) of N-Bases in Ionic Liquid Media Barhdadi R, Troupel M, Comminges C, Laurent M, Doherty A
283 - 295	Theoretical and Experimental Studies of CO2 and H-2 Separation Using the 1-Ethyl-3-methylimidazolium Acetate ([emim][CH3COO]) Ionic Liquid Shi W, Myers CR, Luebke DR, Steckel JA, Sorescu DC
296 - 304	Extraction of Tryptophan with Ionic Liquids Studied with Molecular Dynamics Simulations Seduraman A, Wu P, Klahn M
305 - 313	Molecular Dynamics Simulation of Tri-n-butyl-Phosphate Liquid: A Force Field Comparative Study Cui ST, de Almeida VF, Hay BP, Ye XG, Khomami B
314 - 323	Hydration of Formate and Acetate Ions by Dielectric Relaxation Spectroscopy Rahman HMA, Hefter G, Buchner R
324 - 331	Hydration-Determined Orientational Preferences in Aromatic Association from Benzene Dimer Free Energy Volumes Gamieldien MR, Strumpfer J, Naidoo KJ
332 - 335	Spectroscopic Identification on Cage Occupancies of Binary Gas Hydrates in the Presence of Ethanol Lee JW, Kang SP
336 - 342	Correction of Vibrational Broadening in Molecular Dynamics Clusters with the Normal Mode Optimization Method Hudecova J, Hopmann KH, Bour P
343 - 352	A Refined MS-EVB Model for Proton Transport in Aqueous Environments Park K, Lin W, Paesani F
353 - 366	Merged- and Separate-Band Behavior of the C=O Stretching Band in N,N-Dimethylformamide Isotopic Liquid Mixtures: DMF/DMF-d(1), DMF/DMF-d(6), and DMF/DMF-C-13=O Torii H, Giorgini MG, Musso M
367 - 377	Prediction of the PC-SAFT Associating Parameters by Molecular Simulation Ferrando N, de Hemptinne JC, Mougin P, Passarello JP
378 - 389	Interplay between Hydrodynamics and the Free Energy Surface in the Assembly of Nanoscale Hydrophobes Morrone JA, Li J, Berne BJ
390 - 400	How Hydrophobicity and the Glycosylation Site of Glycans Affect Protein Folding and Stability: A Molecular Dynamics Simulation Lu DN, Yang C, Liu Z
401 - 412	Destabilization of Lipid Membranes by a Peptide Derived from Glycoprotein gp36 of Feline Immunodeficiency Virus: A Combined Molecular Dynamics/Experimental Study Merlino A, Vitiello G, Grimaldi M, Sica F, Busi E, Basosi R, D'Ursi AM, Fragneto G, Paduano L, D'Errico G
413 - 423	Contribution of Dynamic and Static Quenchers for the Study of Protein Conformation in Ionic Liquids by Steady-State Fluorescence Spectroscopy Bekhouche M, Blum LJ, Doumeche B
424 - 433	Molecular Mechanism of the Effects of Salt and pH on the Affinity between Protein A and Human lmmunoglobulin G1 Revealed by Molecular Simulations Huang B, Liu FF, Dong XY, Sun Y
434 - 444	Role of PufX in Photochemical Charge Separation in the RC-LH1 Complex from Rhodobacter sphaeroides: An Ultrafast Mid-IR Pump-Probe Investigation Stahl AD, Crouch LI, Jones MR, Stokkum I, Van Grondelle R, Groot ML
445 - 461	Irradiation- and Sensitizer-Dependent Changes in the Lifetime of Intracellular Singlet Oxygen Produced in a Photosensitized Process da Silva EFF, Pedersen BW, Breitenbach T, Toftegaard R, Kuimova MK, Arnaut LG, Ogilby PR
462 - 468	Biomimetic Design of a Brush-Like Nanopore: Simulation Studies Pongprayoon P, Beckstein O, Sansom MSP
469 - 475	Assessment of the Intrinsic Conformational Preferences of Dipeptide Amino Acids in Aqueous Solution by Combined Umbrella Sampling/MBAR Statistics. A Comparison with Experimental Results Cruz VL, Ramos J, Martinez-Salazar J
476 - 482	Effect of Cholesterol on Binding of Amphipathic Helices to Lipid Emulsions Ozawa M, Handa T, Nakano M
483 - 490	Structures and IR Spectra of the Gramicidin S Peptide: Pushing the Quest for Low-Energy Conformations Joshi K, Semrouni D, Ohanessian G, Clavaguera C
491 - 495	Sequence-Dependent pK(a) Shift Induced by Molecular Self-Assembly: Insights from Computer Simulation Mondal J, Zhu X, Cui Q, Yethiraj A
496 - 502	First Structural Model of Full-Length Human Tissue-Plasminogen Activator: A SAXS Data-Based Modeling Study Rathore YS, Rehan M, Pandey K, Sahni G, Ashish
503 - 512	Structure and Dynamics of the 1-Hydroxyethyl-4-amino-1,2,4-triazolium Nitrate High-Energy Ionic Liquid System Carlson PJ, Bose S, Armstrong DW, Hawkins T, Gordon MS, Petrich JW
513 - 519	Locating the Binding Sites of Folic Acid with Milk alpha- and beta-Caseins Bourassa P, Tajmir-Riahi HA
520 - 531	Structural and Dynamical Insights into the Molten-Globule Form of Ovalbumin Bhattacharya M, Mukhopadhyay S
532 - 541	Microscopic Binding of M5 Muscarinic Acetylcholine Receptor with Antagonists by Homology Modeling, Molecular Docking, and Molecular Dynamics Simulation Huang XQ, Zheng GR, Zhani CG
542 - 548	3-Picolyl Azide Adenine Dinucleotide as a Probe of Femtosecond to Picosecond Enzyme Dynamics Dutta S, Li YL, Rock W, Houtman JCD, Kohen A, Cheatum CM
549 - 554	Polarization of Intraprotein Hydrogen Bond Is Critical to Thermal Stability of Short Helix Gao Y, Lu XL, Duan LL, Zhang JZH, Mei Y
555 - 564	Thermal Hysteresis in the Backbone and Side-Chain Dynamics of the Elastin Mimetic Peptide [VPGVG](3) by H-2 NMR Ma X, Sun C, Huang JX, Boutis GS
565 - 570	Forced Unbinding of Individual Urea-Aminotriazine Supramolecular Polymers by Atomic Force Microscopy: A Closer Look at the Potential Energy Landscape and Binding Lengths at Fixed Loading Rates Embrechts A, Schonherr H, Vancso GJ
571 - 584	Probing Quantum and Dynamic Effects in Concerted Proton-Electron Transfer Reactions of Phenol-Base Compounds Markle TF, Tenderholt AL, Mayer JM
585 - 592	Electron Transfer Mechanism of Cytochrome c at the Oil/Water Interface as a Biomembrane Model Imai Y, Sugihara T, Osakai T
593 - 598	The Gas Phase Structure of Coulombically Stretched Polyethylene Glycol Ions Larriba C, de la Mora JF
599 - 605	Variable Interactions between Protein Crowders and Biomolecular Solutes Are Important in Understanding Cellular Crowding Feig M, Sugita Y
606 - 620	Probing Side-Chain Dynamics in Proteins by the Measurement of Nine Deuterium Relaxation Rates Per Methyl Group Liao XL, Long D, Li DW, Bruschweiler R, Tugarinov V
621 - 632	Nonspecific Interaction between DNA and Protein allows for Cooperativity: A Case Study with Mycobacterium DNA Binding Protein Ganguly A, Rajdev P, Williams SM, Chatterji D
633 - 638	Responsive Small Molecular Hydrogels Based on Adamantane-Peptides for Cell Culture Yang CH, Li DX, Liu Z, Hong G, Zhang J, Kong DL, Yang ZM
639 - 645	Spectroscopic Exploration of Mode of Binding of ctDNA with 3-Hydroxyflavone: A Contrast to the Mode of Binding with Flavonoids Having Additional Hydroxyl Groups Jana B, Senapati S, Ghosh D, Bose D, Chattopadhyay N
646 - 652	Effects of Two Solvent Conditions on the Free Energy Landscape of the BBL Peripheral Subunit Binding Domain Liu HZ, Huo SH
653 - 659	Thermodynamics of the Protonation Equilibria of Two Fragments of N-Terminal beta-Hairpin of FPB28 WW Domain Makowska J, Uber D, Chmurzynski L
660 - 666	Structural Heterogeneity in the Collision Complex between Organic Dyes and Tryptophan in Aqueous Solution Sun QF, Lu R, Yu AC
667 - 675	Interaction of 5-Fluorouracil Loaded Nanoparticles with 1,2-Dimyristoyl-sn-glycero-3-phosphocholine Liposomes Used as a Cellular Membrane Model Lopes S, Simeonova M, Gameiro P, Rangel M, Ivanova G
676 - 682	Structure and Function of Quinones in Biological Solar Energy Transduction: A High-Frequency D-Band EPR Spectroscopy Study of Model Benzoquinones Chatterjee R, Coates CS, Milikisiyants S, Poluektov OG, Lakshmi KV
683 - 689	Enhanced Photocurrent in Engineered Bacteriorhodopsin Monolayer Patil AV, Premaruban T, Berthoumieu O, Watts A, Davis JJ
690 - 697	Evaluation of the Energetics of the Concerted Acid-Base Mechanism in Enzymatic Catalysis: The Case of Ketosteroid Isomerase Fried SD, Boxer SG
698 - 704	Thymine Dimer Photoreversal in Purine-Containing Trinucleotides Pan ZZ, Chen JQ, Schreier WJ, Kohler B, Lewis FD
705 - 710	Peculiarity of Aqueous Solutions of 2,2,2-Trifluoroethanol Burakowski A, Glinski J, Czarnik-Matusewicz B, Kwoka P, Baranowski A, Jerie K, Pfeiffer H, Chatziathanasiou N
711 - 717	Role of Protein Dynamics in Guiding Electron-Transfer Pathways in Reaction Centers from Rhodobacter sphaeroides Wang HY, Hao YW, Jiang Y, Lin S, Woodbury NW
718 - 730	Axial Ligand Effect On The Rate Constant of Aromatic Hydroxylation By Iron(IV)-Oxo Complexes Mimicking Cytochrome P450 Enzymes Kumar D, Sastry GN, de Visser SP
731 - 731	Kinetic Study of Trimerization of Monocyanate Ester in Nanopores (vol 115, pg 925, 2011) Koh YP, Simon SL
732 - 732	Effects of Loops and Nucleotides in G-Quadruplexes on Their Interaction with an Azacalixarene, Methylazacalix[6]pyridine (vol 115, pg 12584, 2011) Guan AJ, Zhang EX, Xiang JF, Li Q, Yang QF, Li L, Tang YL, Wang MX
733 - 733	Affinity of Four Polar Neurotransmitters for Lipid Bilayer Membranes (vol 115, pg 196, 2011) Wang CH, Ye FB, Velardez GF, Peters GH, Westh P