Journal of Physical Chemistry B

Journal of Physical Chemistry B, Vol.117, No.17 Entire volume, number list

ISSN: 1520-6106 (Print)

In this Issue (74 articles)

4733 - 4739	Restrained-Ensemble Molecular Dynamics Simulations Based on Distance Histograms from Double Electron-Electron Resonance Spectroscopy Roux B, Islam SM
4740 - 4754	Structural Refinement from Restrained-Ensemble Simulations Based on EPR/DEER Data: Application to T4 Lysozyme Islam SM, Stein RA, Mchaourab HS, Roux B
4755 - 4762	Effect of Compressive Force on Unbinding Specific Protein-Ligand Complexes with Force Spectroscopy Bowers CM, Carlson DA, Rivera M, Clark RL, Toone EJ
4763 - 4769	Probing Mercury(II)-DNA Interactions by Nanopore Stochastic Sensing Wang GH, Zhao QT, Kang XF, Guan XY
4770 - 4778	Validation of Depth-Dependent Fluorescence Quenching in Membranes by Molecular Dynamics Simulation of Tryptophan Octyl Ester in POPC Bilayer Kyrychenko A, Tobias DJ, Ladokhin AS
4779 - 4788	Presynaptic Structure of Aplysia Single Live Neuron by Atomic Force and Confocal Laser Scanning Microscope Park AY, Chae YS, Lee SH, Kaang BK, Lee S
4789 - 4797	Theoretical Elucidation of the Origin for Assembly of the DAP12 Dimer with Only One NKG2C in the Lipid Membrane Sun H, Chu HY, Fu T, Shen HJ, Li GH
4798 - 4805	Conformational Heterogeneity of Methyl 4-Hydroxycinnamate: A Gas-Phase UV-IR Spectroscopic Study Tan EMM, Amirjalayer S, Smolarek S, Vdovin A, Rijs AM, Buma WJ
4806 - 4817	Kinetic Modeling of Hydrogen Conversion at [Fe] Hydrogenase Active-Site Models Finkelmann AR, Stiebritz MT, Reiher M
4818 - 4826	Ultrafast Time-Resolved Pump-Probe Spectroscopy of PYP by a Sub-8 fs Pulse Laser at 400 nm Liu J, Yabushita A, Taniguchi S, Chosrowjan H, Imamoto Y, Sueda K, Miyanaga N, Kobayashi T
4827 - 4835	The Stabilization Effect of Dielectric Constant and Acidic Amino Acids on Arginine-Arginine (Arg-Arg) Pairings: Database Survey and Computational Studies Zhang ZY, Xu ZJ, Yang Z, Liu YT, Wang JA, Shao Q, Li SJ, Lu YX, Zhu WL
4836 - 4843	Transient Helical Structure during PI3K and Fyn SH3 Domain Folding Matsumura Y, Shinjo M, Kim SJ, Okishio N, Gruebele M, Kihara H
4844 - 4852	Limited Perturbation of a DPPC Bilayer by Fluorescent Lipid Probes: A Molecular Dynamics Study Ackerman DG, Heberle FA, Feigenson GW
4853 - 4859	Low-Temperature NMR Studies on the Geometry of Base Pairs Involving 5-Substituted Uracil Derivatives Janke EMB, Weisz K
4860 - 4869	Direct Evidence for Hydrogen Bonding in Glycans: A Combined NMR and Molecular Dynamics Study Battistel MD, Pendrill R, Widmalm G, Freedberg DI
4870 - 4879	Mechanism of Pyrogallol Red Oxidation Induced by Free Radicals and Reactive Oxidant Species. A Kinetic and Spectroelectrochemistry Study Atala E, Velasquez G, Vergara C, Mardones C, Reyes J, Tapia RA, Quina F, Mendes MA, Speisky H, Lissi E, Ureta-Zanartu MS, Aspee A, Lopez-Alarcon C
4880 - 4892	Investigation of Ethanol-Peptide and Water-Peptide Interactions through Intermolecular Nuclear Overhauser Effects and Molecular Dynamics Simulations Gerig JT
4893 - 4900	Cleavage Enhancement of Specific Chemical Bonds in DNA by Cisplatin Radiosensitization Xiao FX, Luo XL, Fu XZ, Zheng Y
4901 - 4911	Coarse-Grained Model for Predicting RNA Folding Thermodynamics Denesyuk NA, Thirumalai D
4912 - 4923	Conformational Selection and Induced Fit in Specific Antibody and Antigen Recognition: SPE7 as a Case Study Wang W, Ye W, Yu QF, Jiang C, Zhang J, Luo R, Chen HF
4924 - 4933	Binding Site Dynamics and Aromatic-Carbohydrate Interactions in Processive and Non-Processive Family 7 Glycoside Hydrolases Taylor CB, Payne CM, Himmel ME, Crowley MF, McCabe C, Beckham GT
4934 - 4944	Dynamics of Geminate Rebinding of CO to Cytochrome c in Guanidine HCl Probed by Femtosecond Vibrational Spectroscopy Kim J, Park J, Lee T, Pak Y, Lim M
4945 - 4955	Spontaneous Formation of Hydrophobic Domains in Isolated Peptides Gloaguen E, Loquais Y, Thomas JA, Pratt DW, Mons M
4956 - 4964	A Rapid, Ensemble and Free Energy Based Method for Engineering Protein Stabilities Naganathan AN
4965 - 4972	Hydration-Controlled X-Band EPR Spectroscopy: A Tool for Unravelling the Complexities of the Solid-State Free Radical in Eumelanin Mostert AB, Hanson GR, Sarna T, Gentle IR, Powell BJ, Meredith P
4973 - 4980	A QM/MM Study of the Absorption Spectrum of Harmane in Water Solution and Interacting with DNA: The Crucial Role of Dynamic Effects Etienne T, Very T, Perpete EA, Monari A, Assfeld X
4981 - 4992	Hydration of Lysozyme Studied by Raman Spectroscopy Kocherbitov V, Latynis J, Misiunas A, Barauskas J, Niaura G
4993 - 5001	Quantum Mechanical/Molecular Mechanical Study on the Enantioselectivity of the Enzymatic Baeyer-Villiger Reaction of 4-Hydroxycyclohexanone Polyak I, Reetz MT, Thiel W
5002 - 5008	Quantitative Determination of Lateral Concentration and Depth Profile of Histidine-Tagged Recombinant Proteins Probed by Grazing Incidence X-ray Fluorescence Korner A, Abuillan W, Deichmann C, Rossetti FF, Kohler A, Konovalov OV, Wedlich D, Tanaka M
5009 - 5018	A Strongly Absorbing Class of Non-Natural Labels for Probing Protein Electrostatics and Solvation with FTIR and 2D IR Spectroscopies Woys AM, Mukherjee SS, Skoff DR, Moran SD, Zanni MT
5019 - 5030	Molecular Dynamics Simulations of DPPC Bilayers Using "LIME", a New Coarse-Grained Model Curtis EM, Hall CK
5031 - 5042	Melittin Creates Transient Pores in a Lipid Bilayer: Results from Computer Simulations Santo KP, Irudayam SJ, Berkowitz ML
5043 - 5049	Lipid Bilayer Membrane Affinity Rationalizes Inhibition of Lipid Peroxidation by a Natural Lignan Antioxidant Podloucka P, Berka K, Fabre G, Paloncyova M, Duroux JL, Otyepka M, Trouillas P
5050 - 5057	Fluorescence Anisotropy of a Nonpolar Solute in 1-Alkyl-3-Methylimidazolium-Based Ionic Liquids: Does the Organized Structure of the Ionic Liquid Influence Solute Rotation? Gangamallaiah V, Dutt GB
5058 - 5064	MALDI Mechanism of Dihydroxybenzoic Acid Isomers: Desorption of Neutral Matrix and Analyte Liang CW, Lee CH, Lin YJ, Lee YT, Ni CK
5065 - 5072	Comparing Simulations of Lipid Bilayers to Scattering Data: The GROMOS 43A1-S3 Force Field Braun AR, Sachs JN, Nagle JF
5073 - 5080	Driving Force for Crystallization of Anionic Lipid Membranes Revealed by Atomistic Simulations Qiao BF, de la Cruz MO
5081 - 5089	Thermodynamically Stable Vesicle Formation and Vesicle-to-Micelle Transition of Single-Tailed Anionic Surfactant in Water Sakai T, Ikoshi R, Toshida N, Kagaya M
5090 - 5101	Specificity in Cationic Interaction with Poly(N-isopropylacrylamide) Du HB, Wickramasinghe SR, Qian XH
5102 - 5112	Ion-Cage Interpretation for the Structural and Dynamic Changes of Ionic Liquids under an External Electric Field Shi R, Wang YT
5113 - 5120	In Stationary Regime, Electron Transfer Rates in RTIL Media Are Diffusion Controlled: Experimental Evidence from Pulse Radiolysis Study Manna B, Ghosh R, Palit DK
5121 - 5128	Spectroscopic and Thermodynamic Evidence of Dimer and Trimer Hydrogen Bonded Complex Formation between Chloroform and 2-Butanone. Excess Molar Enthalpy for the Chloroform+2-Butanone Binary System at 303 K Marigliano ACG, Campos VD, Fernandez L, Roldan ML, Solimo HN
5129 - 5135	Absolute Single-Ion Solvation Free Energy Scale in Methanol Determined by the Lithium Cluster-Continuum Approach Pliego JR, Miguel ELM
5136 - 5147	Circular Dichroism and Optical Rotation of Lactamide and 2-Aminopropanol in Aqueous Solution Pikulska A, Hopmann KH, Bloino J, Pecul M
5148 - 5155	Water from Ambient to Supercritical Conditions with the AMOEBA Model Chipman DM
5156 - 5164	Effect of the Alkyl Chain Length on the Rotational Dynamics of Nonpolar and Dipolar Solutes in a Series of N-Alkyl-N-Methylmorpholinium Ionic Liquids Khara DC, Kumar JP, Mondal N, Samanta A
5165 - 5179	Application of the SCC-DFTB Method to Hydroxide Water Clusters and Aqueous Hydroxide Solutions Choi TH, Liang R, Maupin CM, Voth GA
5180 - 5187	Kinetics of Photon Upconversion in Ionic Liquids: Time-Resolved Analysis of Delayed Fluorescence Murakami Y, Kikuchi H, Kawai A
5188 - 5194	Vinylogous Tetrathiafulvalene Based Podands: Complexation Interferences on the Molecular Movements Triggered by Electron Transfer Lorcy D, Guerro M, Bergamini JF, Hapiot P
5195 - 5205	Transport Properties of Mixtures by the Soft-SAFT plus Free-Volume Theory: Application to Mixtures of n-Alkanes and Hydrofluorocarbons Llovell F, Marcos RM, Vega LF
5206 - 5211	How Does the Solvation Unveil AtO+ Reactivity? Ayed T, Seydou M, Real F, Montavon G, Galland N
5212 - 5221	Fluoride Anion Sensing Mechanism of 2-Ureido-4[1H]-pyrimidinone Quadruple Hydrogen-Bonded Supramolecular Assembly: Photoinduced Electron Transfer and Partial Configuration Change Chen JS, Zhou PW, Li GY, Chu TS, He GZ
5222 - 5229	A Drude Polarizable Model for Liquid Hydrogen Sulfide Riahi S, Rowley CN
5230 - 5240	Fluorescein Prototropism within Poly(ethylene glycol)s and Their Aqueous Mixtures Bhagi A, Pandey S, Pandey A, Pandey S
5241 - 5248	A Conductivity Study of Unsymmetrical 2:1 Type "Complex Ion" Electrolyte: Cadmium Chloride in Dilute Aqueous Solutions Apelblat A, Esteso MA, Bester-Rogac M
5249 - 5260	Effect of the Porosity of a Polymer of Intrinsic Microporosity (PIM) on Its Intrinsic Fluorescence Chen SH, Yi W, Duhamel J, Heinrich K, Bengtson G, Fritsch D
5261 - 5270	Effect of Rod Length on the Morphology of Block Copolymer/Magnetic Nanorod Composites Lo CT, Lin WT
5271 - 5279	Langevin Dynamics Simulation of 3D Colloidal Crystal Vacancies and Phase Transitions Laghaei R, Asher SA, Coalson RD
5280 - 5288	Phase Diagram of Diblock Copolymers Confined in Thin Films Li WH, Liu MJ, Qiu F, Shi AC
5289 - 5295	Impurity Partitioning During Colloidal Crystallization Nozawa J, Uda S, Naradate Y, Koizumi H, Fujiwara K, Toyotama A, Yamanaka J
5296 - 5305	A Strategy to Explore Stable and Metastable Ordered Phases of Block Copolymers Xu WQ, Jiang K, Zhang PW, Shi AC
5306 - 5314	Deep Impact of the Template on Molecular Weight, Structure, and Oxidation State of the Formed Polyaniline Ogurtsov NA, Noskov YV, Fatyeyeva KY, Ilyin VG, Dudarenko GV, Pud AA
5315 - 5329	Influence of Hydrogen Bonding Effects on Methanol and Water Diffusivities in Acid-Base Polymer Blend Membranes of Sulfonated Poly(ether ether ketone) and Base Tethered Polysulfone Mahajan CV, Ganesan V
5330 - 5337	Concentration Dependence of Molal Conductivity and Dielectric Constant of 1-Alcohol Electrolytes Using the Compensated Arrhenius Formalism Fleshman AM, Petrowsky M, Frech R
5338 - 5344	Controlled Fabrication and Optoelectrical Properties of Metallosupramolecular Films Based on Ruthenium(II) Phthalocyanines and 4,4'-Bipyridine Covalently Anchored on Inorganic Substrates Tong B, Yang HF, Xiong WJ, Xie F, Shi JB, Zhi JG, Chan WK, Dong YP
5345 - 5354	Establishing the Ellipsoidal Geometry of a Benzoic Acid-Based Amphiphile via Dimer Switching: Insights from Intramolecular Rotation and Facial H-Bond Torsion Ramesh N, Sarangi NK, Patnaik A
5355 - 5364	N,N-Dimethyldodecylamine Oxide Self-Organization in the Presence of Lanthanide Ions in Aqueous and Aqueous-Decanol Solutions Selivanova NM, Galeeva AI, Sukhanov AA, Gnezdilov OI, Chachkov DV, Galyametdinov YG
5365 - 5378	Ion Distributions at the Water/1,2-Dichloroethane Interface: Potential of Mean Force Approach to Analyzing X-ray Reflectivity and Interfacial Tension Measurements Hou BY, Laanait N, Yu H, Bu W, Yoon J, Lin BH, Meron M, Luo GM, Vanysek P, Schlossman ML
5379 - 5386	Conformational Plasticity of Hydrogen Bonded Bis-urea Supramolecular Polymers Brocorens P, Linares M, Guyard-Duhayon C, Guillot R, Andrioletti B, Suhr D, Isare B, Lazzaroni R, Bouteiller L
5387 - 5388	Comment on "An Interesting Case Where Water Behaves as a Unique Solvent. 4-Aminophthalimide Emission Profile to Monitor Aqueous Environment" Khara DC, Samanta A
5389 - 5391	Reply to "Comment on'An Interesting Case Where Water Behaves as a Unique Solvent. 4-Aminophthalimide Emission Profile to Monitor Aqueous Environment'" Durantini AM, Falcone RD, Anunziata JD, Silber JJ, Abuin EB, Lissi EA, Correa NM
5392 - 5392	An Interesting Case Where Water Behaves As a Unique Solvent. 4-Aminophthalimide Emission Profile to Monitor Aqueous Environment (vol 117, pg 2160, 2013) Durantini AM, Falcone RD, Anunziata JD, Silber JJ, Abuin EB, Lissi EA, Correa NM
5393 - 5393	Crystallization and Dissolution Behavior of Naproxen/Polyethylene Glycol Solid Dispersions (vol 117, pg 1494, 2013) Zhu Q, Toth SJ, Simpson GJ, Hsu HY, Taylor LS, Harris MT
5394 - 5395	What Are Functional Ionic Liquids for the Absorption of Acidic Gases? (vol 117, pg 2482, 2013) Ren SH, Hou YC, Tian SD, Chen XM, Wu WZ