화학공학소재연구정보센터

Journal of Physical Chemistry B

Journal of Physical Chemistry B, Vol.120, No.9 Entire volume, number list
ISSN: 1520-6106 (Print) 

In this Issue (63 articles)

2077 - 2086 Differential Binding Models for Direct and Reverse Isothermal Titration Calorimetry
Herrera I, Winnik MA
2087 - 2094 An Environmentally Sensitive Fluorescent Dye as a Multidimensional Probe of Amyloid Formation
Yates EV, Meisl G, Knowles TPJ, Dobson CM
2095 - 2105 Monte Carlo Simulations of Glu-242 in Cytochrome c Oxidase
Samudio BM, Couch V, Stuchebrukhov AA
2106 - 2114 Single-Molecule Studies of Unlabeled Full-Length p53 Protein Binding to DNA
Nuttall P, Lee K, Ciccarella P, Carminati M, Ferrar G, Kim KB, Albrechet T
2115 - 2123 Do Solvated Electrons (e(aq)(-)) Reduce DNA Bases? A Gaussian 4 and Density Functional Theory- Molecular Dynamics Study
Kumar A, Adhikary A, Shamoun L, Sevilla MD
2124 - 2131 Potential Interference of Protein-Protein Interactions by Graphyne
Luan BQ, Huynh T, Zhou RH
2132 - 2137 Thermodynamic Study on the Protonation Reactions of Glyphosate in Aqueous Solution: Potentiometry, Calorimetry and NMR spectroscopy
Liu BJ, Dong L, Yu QH, Li XL, Wu FC, Tan ZY, Luo SZ
2138 - 2144 The Role of Conformational Changes in Molecular Recognition
Ahmad M, Helms V, Kalinina OV, Lengauer T
2145 - 2154 Insights into the Inhibitory Mechanism of D13-9001 to the Multidrug Transporter AcrB through Molecular Dynamics Simulations
Zuo ZC, Weng JW, Wang WN
2155 - 2164 Enhancing Paradynamics for QM/MM Sampling of Enzymatic Reactions
Lameira J, Kupchencko I, Warshel A
2165 - 2178 Without Binding ATP, Human Rad51 Does Not Form Helical Filaments on ssDNA
Schay G, Borka B, Kernya L, Bulyaki E, Kardos J, Fekete M, Fidy J
2179 - 2186 Single-Molecule Stochastic Analysis of Channeling Enzyme Tryptophan Synthase
Loutchko D, Gonze D, Mikhailov AS
2187 - 2197 Interaction of the Heparin-Binding Consensus Sequence of beta-Amyloid Peptides with Heparin and Heparin-Derived Oligosaccharides
Nguyen K, Rabenstein DL
2198 - 2208 Divalent Ion Parameterization Strongly Affects Conformation and Interactions of an Anionic Biomimetic Polymer
Daily MD, Baer MD, Mundy CJ
2209 - 2215 Altruistic Metadynamics: Multisystem Biased Simulation
Hosek P, Toulcova D, Bortolato A, Spiwok V
2216 - 2224 Theoretical Characterization of the H-Bonding and Stacking Potential of Two Nonstandard Nucleobases Expanding the Genetic Alphabet
Chawla M, Credendino R, Chermak E, Oliva R, Cavallo L
2225 - 2233 Deprotonation of Water Ligands in V, Cr, Mn, Fe, and Co Complexes Reduces Oxidation-Driven Carboxylate Ligand Frequency Shifts
Chuah WY, Frankcombe TJ
2234 - 2240 Comparison of Replica Exchange Simulations of a Kinetically Trapped Protein Conformational State and its Native Form
Olson MA, Legler PM, Goldman ER
2241 - 2248 Gallium as a Therapeutic Agent: A Thermodynamic Evaluation of the Competition between Ga3+ and Fe3+ Ions in Metalloproteins
Nikolova V, Angelova S, Markova N, Dudev T
2249 - 2256 Monitoring the Transmembrane Proton Gradient Generated by Cytochrome bo(3) in Tethered Bilayer Lipid Membranes Using SEIRA Spectroscopy
Wiebalck S, Kozuch J, Forbrig E, Tzschucke CC, Jeuken LJC, Hildebrandt P
2257 - 2261 Revisiting the Thermodynamics of Water Surfaces and the Effects of Surfactant Head Group
Hu D, Mafi A, Chou KC
2262 - 2270 Kinetics of a Multilamellar Lipid Vesicle Ripening: Simulation and Theory
Xu R, He XH
2271 - 2280 Reaction Mechanism for Direct Proton Transfer from Carbonic Acid to a Strong Base in Aqueous Solution I: Acid and Base Coordinate and Charge Dynamics
Daschakraborty S, Kiefer PM, Miller Y, Motro Y, Pines D, Pines E, Hynes JT
2281 - 2290 Reaction Mechanism for Direct Proton Transfer from Carbonic Acid to a Strong Base in Aqueous Solution II: Solvent Coordinate-Dependent Reaction Path
Daschakraborty S, Kiefer PM, Miller Y, Motro Y, Pines D, Pines E, Hynes JT
2291 - 2299 Simulations of Ice Nucleation by Model AgI Disks and Plates
Zielke SA, Bertram AK, Patey GN
2300 - 2310 PC-SAFT Modeling of CO2 Solubilities in Deep Eutectic Solvents
Zubeir LF, Held C, Sadowski G, Kroon MC
2311 - 2322 Thallium Transfer from Hydrochloric Acid Media into Pure Ionic Liquids
Tereshatov EE, Boltoeva MY, Mazan V, Volia MF, Folden CM
2323 - 2332 First-Principles Simulations of One- and Two-Photon Absorption Band Shapes of the Bis(BF2) Core Complex
Zalesny R, Murugan NA, Tian GJ, Medved M, Agren H
2333 - 2342 Synthesis, Ensemble, and Single Molecule Characterization of a Diphenyl-Acetylene Linked Terrylenediimide Dimer
Kennes K, Baeten Y, Stappert S, Mullen K, Hofkens J, Van der Auweraer M, Vosch T, Fron E
2343 - 2351 Ion Pairing in Alkali Nitrate Electrolyte Solutions
Xie WJ, Zhang Z, Gao YQ
2352 - 2361 Model Dependency of TMAO's Counteracting Effect Against Action of Urea: Kast Model versus Osmotic Model of TMAO
Borgohain G, Paul S
2362 - 2371 Thermodynamic Properties of Selected Homologous Series of Ionic Liquids Calculated Using Molecular Dynamics
Cervinka C, Padua AAH, Fulem M
2372 - 2379 Multiscale Modeling of the Effect of Pressure on the Interfacial Tension and Other Cohesion Parameters in Binary Mixtures
Mayoral E, Nahmad-Achar E
2380 - 2387 pH Dependent Chiroptical Properties of (1R,2R)- and (1S,2S)-trans-Cyclohexane Diesters and Diamides from VCD, ECD, and CPL Spectroscopy
Mazzeo G, Abbate S, Longhi G, Castiglioni E, Boiadjiev SE, Lightner DA
2388 - 2396 Picosecond Pulse Radiolysis of Propylene Carbonate as a Solute in Water and as a Solvent
Marignier JL, Torche F, Le Caer S, Mostafavi M, Belloni J
2397 - 2406 Protonic Ammonium Nitrate Ionic Liquids and Their Mixtures: Insights into Their Thermophysical Behavior
Lopes JNC, Esperanca JMSS, de Ferro AM, Pereiro AB, Plechkova NV, Rebelo LPN, Seddon KR, Vazquez-Fernandez I
2407 - 2417 Proton Quantization and Vibrational Relaxation in Nonadiabatic Dynamics of Photoinduced Proton-Coupled Electron Transfer in a Solvated Phenol-Amine Complex
Goyal P, Schwerdtfeger CA, Soudackov AV, Hammes-Schiffer S
2418 - 2422 Rigid Single Carbon-Carbon Bond That Does Not Rotate in Water
Gadogbe M, Zhou YD, Zou SL, Zhang DM
2423 - 2433 Solution-State Structure and Affinities of Cyclodextrin:Fentanyl Complexes by Nuclear Magnetic Resonance Spectroscopy and Molecular Dynamics Simulation
Mayer BP, Kennedy DJ, Lau EY, Valdez CA
2434 - 2439 Picosecond Pulse Radiolysis of Highly Concentrated Carbonate Solutions
Ghalei M, Ma J, Schmidhammer U, Vandenborre J, Fattahi M, Mostafavi M
2440 - 2451 How Acidic Is Carbonic Acid?
Pines D, Ditkovich J, Mukra T, Miller Y, Kiefer PM, Daschakraborty S, Hynes JT, Pines E
2452 - 2459 How Sodium Chloride Salt Inhibits the Formation of CO2 Gas Hydrates
Holzammer C, Finckenstein A, Will S, Braeuer AS
2460 - 2470 Sodium Chloride, NaCl/epsilon: New Force Field
Fuentes-Azcatl R, Barbosa MC
2471 - 2483 Complex Structural and Dynamical Interplay of Cyano-Based Ionic Liquids
Weber H, Kirchner B
2484 - 2490 What Is the Best Method to Fit Time-Resolved Data? A Comparison of the Residual Minimization and the Maximum Likelihood Techniques As Applied to Experimental Time-Correlated, Single-Photon Counting Data
Santra K, Zhan JC, Song XY, Smith EA, Vaswani N, Petrich JW
2491 - 2499 Reorientational Relaxation of Small Solutes in Viscoelastic Liquids
Yamaguchi T, Abe Y, Nishiyama K
2500 - 2506 Electron Solvation in Liquid Ammonia: Lithium, Sodium, Magnesium, and Calcium as Electron Sources
Chaban VV, Prezhdo OV
2507 - 2516 Polymer Optical Constants from Long-Range Corrected DFT Calculations
Maekawa S, Moorthi K
2517 - 2525 Freezing Transitions of Nanoconfined Coarse-Grained Water Show Subtle Dependence on Confining Environment
Lu Q, Straub JE
2526 - 2537 Modeling the Structure of Complex Aluminosilicate Glasses: The Effect of Zinc Addition
Bernasconi A, Dapiaggi M, Pavese A, Agostini G, Bernasconi M, Bowron DT
2538 - 2543 Characterization of Adsorbed Molecular Water on the Surface of a Stretched Polytetrafluoroethylene Tape Analyzed by H-1 NMR
Wakai C, Shimoaka T, Hasegawa T
2544 - 2556 Tunable Percolation in Semiconducting Binary Polymer Nanoparticle Glasses
Renna LA, Bag M, Gehan TS, Han X, Lahti PM, Maroudas D, Venkataraman D
2557 - 2568 Phase Behavior of Poly(vinylidene fluoride)-graft-poly(diethylene glycol methyl ether methacrylate) in Alcohol-Water System: Coexistence of LCST and UCST
Kuila A, Maity N, Chatterjee DP, Nandi AK
2569 - 2577 Fully Atomistic Simulations of the Ionic Liquid Crystal [C(16)mim][NO3]: Orientational Order Parameters and Voids Distribution
Saielli G
2578 - 2585 Distribution and Dynamic Properties of Xenon Dissolved in the Ionic Smectic Phase of [C(16)mim][NO3]: MD Simulation and Theoretical Model
Frezzato D, Saielli G
2586 - 2595 Poly(vinyl benzyl trimethylammonium chloride) Homo and Block Copolymers Complexation with DNA
Haladjova E, Mountrichas G, Pispas S, Rangelov S
2596 - 2603 Diminished Splay Stiffening in Weak Gels of Calamitic-Bent-Core Nematic Composites
Vimala S, Nair GG, Prasad SK, Veerabhadraswamy BN, Hiremath US
2604 - 2611 Sampling Depths, Depth Shifts, and Depth Resolutions for Bi-n(+) Ion Analysis in Argon Gas Cluster Depth Profiles
Havelund R, Seah MP, Gilmore IS
2612 - 2624 Analysis of Flame Retardancy in Polymer Blends by Synchrotron X-ray K-edge Tomography and Interferometric Phase Contrast Movies
Olatinwo MB, Ham K, McCarney J, Marathe S, Ge JH, Knapp G, Butler LG
2625 - 2637 Complex Formation Between Lysozyme and Stabilized Micelles with a Mixed Poly(ethylene oxide)/Poly(acrylic acid) Shell
Karayianni M, Gancheva V, Pispas S, Petrov P
2638 - 2643 Nature of Mesoscopic Organization in Protic Ionic Liquid-Alcohol Mixtures
Schroer W, Triolo A, Russina O
2644 - 2645 Comment on "Reaction Coordinates and Pathways of Mechanochemical Transformations"
Quapp W, Bofill JM
2646 - 2647 Reply to "Comment on'Reaction Coordinates and Pathways of Mechanochemical Transformations'"
Avdoshenko SM, Makarov DE