Journal of Physical Chemistry B

Journal of Physical Chemistry B, Vol.117, No.1 Entire volume, number list

ISSN: 1520-6106 (Print)

In this Issue (50 articles)

1 - 2	Editorial for January 2013 for JPC A/B/C McCoy AB, Hammes-Schiffer S, Murphy CJ, Schatz GC
3 - 12	Effects of Protonation and C5 Methylation on the Electrophilic Addition Reaction of Cytosine: A Computational Study Jin LX, Wang WL, Hu DD, Min ST
13 - 24	Tilting the Balance between Canonical and Noncanonical Conformations for the H1 Hypervariable Loop of a Llama VHH through Point Mutations Mahajan SP, Velez-Vega C, Escobedo FA
25 - 37	Analysis of Electronic Structure, Binding, and Vibrations in Biotin-Streptavidin Complexes Based on Density Functional Theory and Molecular Mechanics Bykhovski A, Zhang WD, Jensen J, Woolard D
38 - 48	Interaction of Thionine with Triple-, Double-, and Single-Stranded RNAs Lozano HJ, Garcia B, Busto N, Leal JM
49 - 56	Potential of Mean Force of Polyethylenimine-Mediated DNA Attraction Bagai S, Sun CB, Tang T
57 - 69	Conformational States of 2'-C-Methylpyrimidine Nucleosides in Single and Double Nucleic Acid Stranded Structures Robaldo L, Pontiggia R, Di Lella S, Estrin DA, Engels JW, Iribarren AM, Montserrat JM
70 - 82	Charge Parametrization of the DvH-c(3) Heme Group: Validation Using Constant-(pH,E) Molecular Dynamics Simulations Henriques J, Costa PJ, Calhorda MJ, Machuqueiro M
83 - 93	The Power Stroke Driven by ATP Binding in CFTR As Studied by Molecular Dynamics Simulations Furukawa-Hagiya T, Furuta T, Chiba S, Sohma Y, Sakurai M
94 - 103	Molecular Simulations of RNA 2'-O-Transesterification Reaction Models in Solution Radak BK, Harris ME, York DM
104 - 110	Lysozyme Hydration in Concentrated Aqueous Solutions. Effect of an Equilibrium Cluster Phase Cametti C, Marchetti S, Onori G
111 - 117	Quantitative Characterization of the Interaction Between Sucrose and Native Proteins via Static Light Scattering Wu D, Minton AP
118 - 124	Structural Ensemble of an Intrinsically Disordered Polypeptide Mittal J, Yoo TH, Georgiou G, Truskett TM
125 - 131	RGDC Functionalized Titanium Dioxide Nanoparticles Induce Less Damage to Plasmid DNA but Higher Cytotoxicity to HeLa Cells Yin Y, Zhu WW, Guo LP, Yang R, Li XS, Jiang Y
132 - 140	Structural Characteristics of Oligomeric DNA Strands Adsorbed onto Single-Walled Carbon Nanotubes Roxbury D, Jagota A, Mittal J
141 - 152	Bienzyme-Functionalized Monodispersed Biocompatible Cuprous Oxide/Chitosan Nanocomposite Platform for Biomedical Application Singh J, Srivastava M, Roychoudhury A, Lee DW, Lee SH, Malhotra BD
153 - 163	Addressing Open Questions about Phosphate Hydrolysis Pathways by Careful Free Energy Mapping Prasad BR, Plotnikov NV, Warshel A
164 - 173	Effects of Fe(II)/H2O2 Oxidation on Ubiquitin Conformers Measured by Ion Mobility-Mass Spectrometry Shi HL, Gu LQ, Clemmer DE, Robinson RAS
174 - 184	Analysis of N-15-H-1 NMR Relaxation in Proteins by a Combined Experimental and Molecular Dynamics Simulation Approach: Picosecond-Nanosecond Dynamics of the Rho GTPase Binding Domain of Plexin-B1 in the Dimeric State Indicates Allosteric Pathways Zerbetto M, Anderson R, Bouguet-Bonnet S, Rech M, Zhang LQ, Meirovitch E, Polimeno A, Buck M
185 - 198	Diffusion-Enhanced Forster Resonance Energy Transfer and the Effects of External Quenchers and the Donor Quantum Yield Jacob MH, Dsouza RN, Ghosh I, Norouzy A, Schwarzlose T, Nau WM
199 - 205	Conformational Preference of Fused Carbohydrate-Templated Proline Analogues-A Computational Study Teklebrhan RB, Owens NW, Xidos JD, Schreckenbach G, Wetmore SD, Schweizer F
206 - 217	Characterization of the Hydrochlorothiazide: beta-Cyclodextrin Inclusion Complex. Experimental and Theoretical Methods Onnainty R, Schenfeld EM, Quevedo MA, Fernandez MA, Longhi MR, Granero GE
218 - 229	Experimental and Computational Evidence of Metal-O-2 Activation and Rate-Limiting Proton-Coupled Electron Transfer in a Copper Amine Oxidase Liu Y, Mukherjee A, Nahumi N, Ozbil M, Brown D, Angeles-Boza AM, Dooley DM, Prabhakar R, Roth JP
230 - 241	Molecular Dynamic Studies of Transportan Interacting with a DPPC Lipid Bilayer Pourmousa M, Wong-ekkabut J, Patra M, Karttunen M
242 - 251	Influence of Counterions on Lauric Acid Vesicles and Theoretical Consideration of Vesicle Stability Xu WL, Wang XL, Zhong ZH, Song AX, Hao JC
252 - 258	Self-Assembly of Bile Acid-PEG Conjugates in Aqueous Solutions Strandman S, Le Devedec F, Zhu XX
259 - 272	Adsorption of the Cationic Surfactant Benzyldimethylhexadecylammonium Chloride at the Silica-Water Interface and Metal Salt Effects on the Adsorption Kinetics Grenoble Z, Baldelli S
273 - 288	Transferable Potentials for Phase Equilibria. 10. Explicit-Hydrogen Description of Substituted Benzenes and Polycyclic Aromatic Compounds Rai N, Siepmann JI
289 - 295	Interionic Hydration Structures of NaCl in Aqueous Solution: A Combined Study of Quantum Mechanical Cluster Calculations and QM/EFP-MD Simulations Ghosh MK, Re S, Feig M, Sugita Y, Choi CH
296 - 306	Selection of Ionic Liquids for Enhancing the Gas Solubility of Volatile Organic Compounds Gonzalez-Miquel M, Palomar J, Rodriguez F
307 - 315	Proton Transfer Dependence on Hydrogen-Bonding of Solvent to the Water Wire: A Theoretical Study Mai BK, Park K, My PTD, Kim Y
316 - 325	Photoinduced Proton-Coupled Electron Transfer of Hydrogen-Bonded p-Nitrophenylphenol-Methylamine Complex in Solution Ko C, Solis BH, Soudackov AV, Hammes-Schiffer S
326 - 332	A Comparative Study of the Rotational Dynamics of PF6- Anions in the Crystals and Liquid States of 1-Butyl-3-methylimidazolium Hexafluorophosphate: Results from P-31 NMR Spectroscopy Endo T, Murata H, Imanari M, Mizushima N, Seki H, Sen S, Nishikawa K
333 - 342	Interplay of Electron Hopping and Bounded Diffusion during Charge Transport in Redox Polymer Electrodes Akhoury A, Bromberg L, Hatton TA
343 - 354	Calculating the Hydrodynamic Volume of Poly(ethylene oxylated) Single-Walled Carbon Nanotubes and Hydrophilic Carbon Clusters Bobadilla AD, Samuel ELG, Tour JM, Seminario JM
355 - 364	Characterizing the Structure of Organic Molecules of Intrinsic Microporosity by Molecular Simulations and X-ray Scattering Abbott LJ, McDermott AG, Del Regno A, Taylor RGD, Bezzu CG, Msayib KJ, McKeown NB, Siperstein FR, Runt J, Colina CM
365 - 372	Interactions of Sarin with Polyelectrolyte Membranes: A Molecular Dynamics Simulation Study Lee MT, Vishnyakov A, Gor GY, Neimark AV
373 - 384	Theoretical Study of the Structure and Assembly of Janus Rods Tripathy M, Schweizer KS
385 - 397	Guest-Induced Crystal-to-Crystal Transitions of Poly(L-lactide) Complexes Marubayashi H, Asai S, Sumita M
398 - 407	Hydrocarbons Depending on the Chain Length and Head Group Adopt Different Conformations within a Water-Soluble Nanocapsule: H-1 NMR and Molecular Dynamics Studies Choudhury R, Barman A, Prabhakar R, Ramamurthy V
408 - 414	The Role of Bi2O3 on the Thermal, Structural, and Optical Properties of Tungsten-Phosphate Glasses Manzani D, de Araujo CB, Boudebs G, Messaddeq Y, Ribeiro SJL
415 - 421	Crystallite Width Determines Monolayer Hydration across a Wide Spectrum of Celluloses Isolated from Plants Driemeier C, Bragatto J
422 - 425	Hydrogen Solubility in Amorphous Silica at Pressures up to 75 kbar Efimchenko VS, Fedotov VK, Kuzovnikov MA, Zhuravlev AS, Bulychev BM
426 - 432	Hole Mobility in Porphyrin- and Porphyrin-Fullerene Electropolymers Brennan BJ, Liddell PA, Moore TA, Moore AL, Gust D
433 - 440	Aggregate Transitions in Mixtures of Anionic Sulfonate Gemini Surfactant with Cationic Ammonium Single-Chain Surfactant Tian MZ, Zhu LY, Yu DF, Wang YX, Sun SF, Wang YL
441 - 449	Poly(AAc-co-MBA) Hydrogel Films: Adhesive and Mechanical Properties in Aqueous Medium Arunbabu D, Shahsavan H, Zhang W, Zhao BX
450 - 456	Surfactant-Free Microemulsion Composed of Oleic Acid, n-Propanol, and H2O Xu J, Yin AL, Zhao JK, Li DX, Hou WG
457 - 466	Anatomy of an Exciton: Vibrational Distortion and Exciton Coherence in H- and J-Aggregates Tempelaar R, Stradomska A, Knoester J, Spano FC
467 - 472	Quantifying Changes in the Low-Frequency Dynamics of Amorphous Polymers by 2D Correlation Mechanical Spectroscopy Wu XB, Wang HG, Zhu ZG, Liu CS
473 - 473	Liquid Structure of 1-Ethyl-3-methylimidazolium Alkyl Sulfates by X-ray Scattering and Molecular Dynamics (vol 116, pg 13448, 2012) Macchiagodena M, Ramondo F, Triolo A, Gontrani L, Caminiti R