화학공학소재연구정보센터

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