The Journal of Physical Chemistry B: Articles ASAP (ACS Publications)

Low-Temperature FTIR Study of Multiple K Intermediates in the Photocycles of Bacteriorhodopsin and Xanthorhodopsin

Andrei K. Dioumaev, Jennifer M. Wang and Janos K. Lanyi

Publication Date (Web): February 5, 2010 (Article)

DOI: 10.1021/jp908698f

Hollow Polymer Particles with Nanoscale Pores and Reactive Groups on Their Rigid Shells: Preparation and Application as Nanoreactors

Jianping Deng, Yong Yu, Shuo Dun and Wantai Yang

Publication Date (Web): February 5, 2010 (Article)

DOI: 10.1021/jp909115p

Molecular Dynamics Simulation of Surfactin Derivatives at the Decane/Water Interface at Low Surface Coverage

Hong-Ze Gang, Jin-Feng Liu and Bo-Zhong Mu

Publication Date (Web): February 5, 2010 (Article)

DOI: 10.1021/jp909202u

Interaction Studies of Coumaroyltyramine with Human Serum Albumin and Its Biological Importance

Satyabala Neelam, Mahesh Gokara, Babu Sudhamalla, Damu G. Amooru and Rajagopal Subramanyam

Publication Date (Web): February 5, 2010 (Article)

DOI: 10.1021/jp910156k

Excited-State Intramolecular Hydrogen Atom Transfer of Curcumin in Surfactant Micelles

Ramkrishna Adhikary, Philip J. Carlson, Tak W. Kee and Jacob W. Petrich

Publication Date (Web): February 5, 2010 (Article)

DOI: 10.1021/jp9101527

Study of the Soret Effect in Monosaccharide Solutions

Pablo Blanco and Simone Wiegand

Publication Date (Web): February 5, 2010 (Article)

DOI: 10.1021/jp910331a

Nanostructured Multifunctional Electromagnetic Materials from the Guest−Host Inorganic−Organic Hybrid Ternary System of a Polyaniline−Clay−Polyhydroxy Iron Composite: Preparation and Properties

Viswan L. Reena, Chorappan Pavithran, Vivek Verma and Janardhanan D. Sudha

Publication Date (Web): February 5, 2010 (Article)

DOI: 10.1021/jp907778g

Tetrakis(dimethylamino)ethylene Chemiluminescence (TDE CL) Characterization of the CMC and the Viscosity of Reversed Microemulsions

Chien-Chang Huang and Keith L. Hohn

Publication Date (Web): February 5, 2010 (Article)

DOI: 10.1021/jp9077618

Proton Spin−Lattice Relaxation in Silkworm Cocoons: Physisorbed Water and Serine Side-Chain Motions

Marco Geppi, Giulia Mollica, Silvia Borsacchi and Silvia Cappellozza

Publication Date (Web): February 5, 2010 (Article)

DOI: 10.1021/jp907843r

DNA Melting in Small-Molecule−DNA-Hybrid Dimer Structures: Experimental Characterization and Coarse-Grained Molecular Dynamics Simulations

Tatiana R. Prytkova, Ibrahim Eryazici, Brian Stepp, Son-Binh Nguyen and George C. Schatz

Publication Date (Web): February 5, 2010 (Article)

DOI: 10.1021/jp910395k

Considerable Change of Fluorescence Properties upon Multiple Binding of Coralyne to 4-Sulfonatocalixarenes

M

nika Megyesi and L

szl

Bicz

k

Publication Date (Web): February 5, 2010 (Article)

DOI: 10.1021/jp910418k

Dynamics in Organic Ionic Liquids in Distinct Regions Using Charged and Uncharged Orientational Relaxation Probes

Kendall Fruchey and M. D. Fayer

Publication Date (Web): February 5, 2010 (Article)

DOI: 10.1021/jp911123v

Effects of DPH on DPPC−Cholesterol Membranes with Varying Concentrations of Cholesterol: From Local Perturbations to Limitations in Fluorescence Anisotropy Experiments

Miroslava Fra

ov

, Jarmila Rep

kov

, Pavla

apkov

, Juha M. Holopainen and Ilpo Vattulainen

Publication Date (Web): February 5, 2010 (Article)

DOI: 10.1021/jp908533x

Current Status of the AMOEBA Polarizable Force Field

Jay W. Ponder and Chuanjie Wu, Pengyu Ren, Vijay S. Pande, John D. Chodera, Michael J. Schnieders and Imran Haque , David L. Mobley, Daniel S. Lambrecht, Robert A. DiStasio, Jr. and Martin Head-Gordon, Gary N. I. Clark, Margaret E. Johnson and Teresa Head-Gordon

Publication Date (Web): February 5, 2010 (Feature Article)

DOI: 10.1021/jp910674d

February 4, 2010

The Electric Double-Layer Differential Capacitance at and near Zero Surface Charge for a Restricted Primitive Model Electrolyte

S. Lamperski, C. W. Outhwaite and L. B. Bhuiyan

Publication Date (Web): February 4, 2010 (Addition/Correction)

DOI: 10.1021/jp100349z

Balancing Simulation Accuracy and Efficiency with the Amber United Atom Force Field

Meng-Juei Hsieh and Ray Luo

Publication Date (Web): February 4, 2010 (Article)

DOI: 10.1021/jp906701s

Dominant Conformation of Valsartan in Sodium Dodecyl Sulfate Micelle Environment

Fang Li, Lingyun Wang, Nan Xiao, Minghui Yang, Ling Jiang and Maili Liu

Publication Date (Web): February 4, 2010 (Article)

DOI: 10.1021/jp908958k

Excited States of Fluorescent Proteins, mKO and DsRed: Chromophore−Protein Electrostatic Interaction Behind the Color Variations

Jun-ya Hasegawa, Takehiko Ise, Kazuhiro J. Fujimoto, Akihiro Kikuchi, Eiko Fukumura, Atsushi Miyawaki and Yoshitsugu Shiro

Publication Date (Web): February 4, 2010 (Article)

DOI: 10.1021/jp9099573

Natural Cyclodextrins as Efficient Boosters of the Chemiluminescence of Luminol and Isoluminol: Exploration of Potential Applications

Raquel Maeztu, Gloria Tardajos and Gustavo Gonz

lez-Gaitano

Publication Date (Web): February 4, 2010 (Article)

DOI: 10.1021/jp909707x

Electron Spin Resonance Studies of the Reorientational Motion of Ni(mnt)₂⁻

Bruce A. Kowert, Eva M. Thurman-Keup, Ann Joern Stemmler, Timothy L. Stemmler, Michael J. Fehr, Cassondra V. C. Caldwell and Stephen J. Gentemann

Publication Date (Web): February 4, 2010 (Article)

DOI: 10.1021/jp906830y

Multiphoton-Excited Luminescent Lanthanide Bioprobes: Two- and Three-Photon Cross Sections of Dipicolinate Derivatives and Binuclear Helicates

Svetlana V. Eliseeva, Gerald Aub

ck, Frank van Mourik, Andrea Cannizzo, Bo Song, Emmanuel Deiters, Anne-Sophie Chauvin, Majed Chergui and Jean-Claude G. B

nzli

Publication Date (Web): February 4, 2010 (Article)

DOI: 10.1021/jp9090206

Characterization of Langmuir−Blodgett Film Using Differential Charging in X-ray Photoelectron Spectroscopy

A. K. M. Maidul Islam and M. Mukherjee

Publication Date (Web): February 4, 2010 (Addition/Correction)

DOI: 10.1021/jp100254d

Inhibiting Intramolecular Electron Transfer in Flavin Adenine Dinucleotide by Host−Guest Interaction: A Fluorescence Study

Noufal Kandoth, Sharmistha Dutta Choudhury, Jyotirmayee Mohanty, Achikanath C. Bhasikuttan and Haridas Pal

Publication Date (Web): February 4, 2010 (Article)

DOI: 10.1021/jp909842z

Dimers of Quadrupolar Chromophores in Solution: Electrostatic Interactions and Optical Spectra

Cristina Sissa, Francesca Terenziani, Anna Painelli, Alessandro Abbotto, Luca Bellotto, Chiara Marinzi, Eleonora Garbin, Camilla Ferrante and Renato Bozio

Publication Date (Web): February 4, 2010 (Addition/Correction)

DOI: 10.1021/jp100418b

Free Energy Calculations on Disulfide Bridges Reduction in Proteins by Combining ab Initio and Molecular Mechanics Methods

Catalina David and Mironel Enescu

Publication Date (Web): February 4, 2010 (Article)

DOI: 10.1021/jp910340t

DNA Duplex Stability: The Role of Preorganized Electrostatics

Urban Bren, Jurij Lah, Matev

Bren, V

clav Mart

nek and Jan Flori

n

Publication Date (Web): February 4, 2010 (Article)

DOI: 10.1021/jp9064246

Spatially Resolved Quantification of E-Cadherin on Target hES Cells

Zhaoxia Li, Dengli Qiu, Indumathi Sridharan, Xiaoping Qian, Honghong Zhang, Chunbo Zhang and Rong Wang

Publication Date (Web): February 4, 2010 (Article)

DOI: 10.1021/jp906737q

February 3, 2010

Hydrogen Bond Migration between Molecular Sites Observed with Ultrafast 2D IR Chemical Exchange Spectroscopy

Daniel E. Rosenfeld, Kyungwon Kwak, Zsolt Gengeliczki and M. D. Fayer

Publication Date (Web): February 3, 2010 (Article)

DOI: 10.1021/jp911452z

Effects of Modification of Calcium Hydroxyapatites by Trivalent Metal Ions on the Protein Adsorption Behavior

Kazuhiko Kandori, Satoko Toshima, Masato Wakamura, Masao Fukusumi and Yoshiaki Morisada

Publication Date (Web): February 3, 2010 (Article)

DOI: 10.1021/jp911783r

February 2, 2010

Dynamics and Efficiency of Electron Injection and Transport in DNA Using Pyrenecarboxamide as an Electron Donor and 5-Bromouracil as an Electron Acceptor

Pierre Daublain, Arun K. Thazhathveetil, Vladimir Shafirovich, Qiang Wang, Anton Trifonov, Torsten Fiebig and Frederick D. Lewis

Publication Date (Web): February 2, 2010 (Article)

DOI: 10.1021/jp9107393

ESR, Raman, and Conductivity Studies on Fractionated Poly(2-methoxyaniline-5-sulfonic acid)

Lynn Dennany, Peter C. Innis, Fatemeh Masdarolomoor and Gordon G. Wallace

Publication Date (Web): February 2, 2010 (Article)

DOI: 10.1021/jp908005m

Structure and Phase Behavior of the Poly(ethylene oxide)−Thiourea Complex Prepared by Electrospinning

Yang Liu, H

l

ne Antaya and Christian Pellerin

Publication Date (Web): February 2, 2010 (Article)

DOI: 10.1021/jp9103867

Elucidating Solvent Contributions to Solution Reactions with Ab Initio QM/MM Methods

Hao Hu and Weitao Yang

Publication Date (Web): February 2, 2010 (Article)

DOI: 10.1021/jp905886q

Characterization of Autonomously Oscillating Viscosity Induced by Swelling/Deswelling Oscillation of the Microgels

Hajime Taniguchi, Daisuke Suzuki and Ryo Yoshida

Publication Date (Web): February 2, 2010 (Article)

DOI: 10.1021/jp911779j

Monolayer and Brewster Angle Microscopy Studies of Poly(methyl methacrylate)−Monopalmitin Mixed Systems at the Air−Water Interface

Mercedes Mi

ones Conde, J. M. Trillo, Olga Conde and Jose Mi

ones, Jr.

Publication Date (Web): February 2, 2010 (Article)

DOI: 10.1021/jp907900g

Comparison of Intrinsic Stacking Energies of Ten Unique Dinucleotide Steps in A-RNA and B-DNA Duplexes. Can We Determine Correct Order of Stability by Quantum-Chemical Calculations?

Daniel Svozil, Pavel Hobza and Ji

poner

Publication Date (Web): February 2, 2010 (Addition/Correction)

DOI: 10.1021/jp1004192

Nuclear Quantum Effects in Water Clusters: The Role of the Molecular Flexibility

Briesta S. Gonz

lez, Eva G. Noya and Carlos Vega, Luis M. Ses

Publication Date (Web): February 2, 2010 (Article)

DOI: 10.1021/jp910770y

An Ab Initio Modeling Study on a Modeled Hydrated Polymer Electrolyte Membrane, Sulfonated Polyethersulfone (SPES)

Yoong-Kee Choe, Eiji Tsuchida, Tamio Ikeshoji, Akihiro Ohira and Koh Kidena

Publication Date (Web): February 2, 2010 (Article)

DOI: 10.1021/jp906757s

February 1, 2010

Relation between Low-Temperature Thermal Conductivity and the Specific Heat of Cesium Borate Glasses

G. D’Angelo, C. Crupi, G. Tripodo and G. Salvato

Publication Date (Web): February 1, 2010 (Article)

DOI: 10.1021/jp907152y

Hydrogen Bonding Effects on the Reorganization Energy for Photoinduced Charge Separation Reaction between Porphyrin and Quinone Studied by Nanosecond Laser Flash Photolysis

Tomoaki Yago, Masao Gohdo and Masanobu Wakasa

Publication Date (Web): February 1, 2010 (Article)

DOI: 10.1021/jp909927w

UV-Induced Chromatism of Polydiacetylenic Assemblies

Xuemei Sun, Tao Chen, Sanqing Huang, Fangjing Cai, Xuli Chen, Zhibin Yang, Li Li, Hui Cao, Yunfeng Lu and Huisheng Peng

Publication Date (Web): February 1, 2010 (Article)

DOI: 10.1021/jp910592y

From Natural Attapulgite to Mesoporous Materials: Methodology, Characterization and Structural Evolution

Huaming Yang, Aidong Tang, Jing Ouyang, Mei Li and Stephen Mann

Publication Date (Web): February 1, 2010 (Article)

DOI: 10.1021/jp911516b

Substrate Recognition in HIV-1 Protease: A Computational Study

M. A. S. Perez, P. A. Fernandes and M. J. Ramos

Publication Date (Web): February 1, 2010 (Article)

DOI: 10.1021/jp910958u

Free Energy Reconstruction in Bidirectional Force Spectroscopy Experiments: The Effect of the Device Stiffness

Simone Marsili and Piero Procacci

Publication Date (Web): February 1, 2010 (Article)

DOI: 10.1021/jp908663z

Achieving Highly Effective Non-biofouling Performance for Polypropylene Membranes Modified by UV-Induced Surface Graft Polymerization of Two Oppositely Charged Monomers

Yong-Hong Zhao, Xiao-Ying Zhu, Kin-Ho Wee and Renbi Bai

Publication Date (Web): February 1, 2010 (Article)

DOI: 10.1021/jp908194g

Reaction Mechanism of the Trinuclear Zinc Enzyme Phospholipase C: A Density Functional Theory Study

Rong-Zhen Liao, Jian-Guo Yu and Fahmi Himo

Publication Date (Web): February 1, 2010 (Article)

DOI: 10.1021/jp910992f

January 29, 2010

Coassembly of Oppositely Charged Short Peptides into Well-Defined Supramolecular Hydrogels

Xiao-Ding Xu, Chang-Sheng Chen, Bo Lu, Si-Xue Cheng, Xian-Zheng Zhang and Ren-Xi Zhuo

Publication Date (Web): January 29, 2010 (Article)

DOI: 10.1021/jp9102417

Organometallic Oligomer Resolved by Radial Distribution Function of X-ray Diffraction Analysis

Roberto Matassa, Marilena Carbone, Ilaria Fratoddi and Ruggero Caminiti

Publication Date (Web): January 29, 2010 (Article)

DOI: 10.1021/jp9099896

Fluorescence Turn-on Responses of Anionic and Cationic Conjugated Polymers toward Proteins: Effect of Electrostatic and Hydrophobic Interactions

Kan-Yi Pu and Bin Liu

Publication Date (Web): January 29, 2010 (Article)

DOI: 10.1021/jp906433u

Critical Temperature of Secondary Structural Change of Myoglobin in Thermal Denaturation up to 130 °C and Effect of Sodium Dodecyl Sulfate on the Change

Yoshiko Moriyama and Kunio Takeda

Publication Date (Web): January 29, 2010 (Article)

DOI: 10.1021/jp908700j

Atomistic Simulation Studies on the Dynamics and Thermodynamics of Nonpolar Molecules within the Zeolite Imidazolate Framework-8

Evangelia Pantatosaki, Federico G. Pazzona, Gregory Megariotis and George K. Papadopoulos

Publication Date (Web): January 29, 2010 (Article)

DOI: 10.1021/jp911477a

Photoexcited Triplet State Properties of Brominated and Nonbrominated Ga(III)-Corroles as Studied by Time-Resolved Electron Paramagnetic Resonance

Linn Wagnert, Roy Rubin, Alexander Berg, Atif Mahammed, Zeev Gross and Haim Levanon

Publication Date (Web): January 29, 2010 (Article)

DOI: 10.1021/jp911465p

Insight in the Relationship between the Structure and Property of Methimazole Monolayers on a Silver Surface: Electrochemical and Raman Study

Rui Zhang, Ying Wen, Na Wang, Yao Wang, Yingying Wang, Zongrang Zhang and Haifeng Yang

Publication Date (Web): January 29, 2010 (Article)

DOI: 10.1021/jp911024d

Excited-State Photodynamics of Perylene−Porphyrin Dyads. 5. Tuning Light-Harvesting Characteristics via Perylene Substituents, Connection Motif, and Three-Dimensional Architecture

Christine Kirmaier, Hee-eun Song, Eunkyung Yang, Jennifer K. Schwartz, Eve Hindin, James R. Diers, Robert S. Loewe, Kin-ya Tomizaki, Fabien Chevalier, Lavoisier Ramos, Robert R. Birge, Jonathan S. Lindsey, David F. Bocian and Dewey Holten

Publication Date (Web): January 29, 2010 (Article)

DOI: 10.1021/jp910705q

Aptamer-Based Silver Nanoparticles Used for Intracellular Protein Imaging and Single Nanoparticle Spectral Analysis

Li Qiang Chen, Sai Jin Xiao, Li Peng, Tong Wu, Jian Ling, Yuan Fang Li and Cheng Zhi Huang

Publication Date (Web): January 29, 2010 (Article)

DOI: 10.1021/jp9104618

Implicit Electrostatic Solvent Model with Continuous Dielectric Permittivity Function

Mikhail V. Basilevsky, Fedor V. Grigoriev, Ekaterina A. Nikitina and Jerzy Leszczynski

Publication Date (Web): January 29, 2010 (Article)

DOI: 10.1021/jp9064399

January 28, 2010

Linear Relationship between Deformability and Thermal Stability of 2′-O-Modified RNA Hetero Duplexes

Yoshiaki Masaki, Ryuta Miyasaka, Akihiro Ohkubo, Kohji Seio and Mitsuo Sekine

Publication Date (Web): January 28, 2010 (Article)

DOI: 10.1021/jp909851j

Fabrication of Nanostructured Poly(3-thiophene methyl acetate) within Poly(vinylidene fluoride) Matrix: New Physical and Conducting Properties

Swarup Manna, Amit Mandal and Arun K. Nandi

Publication Date (Web): January 28, 2010 (Article)

DOI: 10.1021/jp909794b

Hygroscopic Growth and Deliquescence of NaCl Nanoparticles Mixed with Surfactant SDS

Christopher W. Harmon, Ronald L. Grimm, Theresa M. McIntire, Mark D. Peterson, Bosiljka Njegic, Vanessa M. Angel, Ahmad Alshawa, Joelle S. Underwood, Douglas J. Tobias, R. Benny Gerber, Mark S. Gordon, John C. Hemminger and Sergey A. Nizkorodov

Publication Date (Web): January 28, 2010 (Article)

DOI: 10.1021/jp909661q

Amyloid-β42 Oligomer Structures from Fibrils: A Systematic Molecular Dynamics Study

Anselm H. C. Horn and Heinrich Sticht

Publication Date (Web): January 28, 2010 (Article)

DOI: 10.1021/jp100023q

Photophysical Behavior of Open-Shell, First-Row Transition Metal meso-Tetraphenyltetrabenzoporphyrins: Insights from Experimental and Theoretical Studies

G. V. Nepali Rajapakse, Alexandra V. Soldatova and Michael A. J. Rodgers

Publication Date (Web): January 28, 2010 (Article)

DOI: 10.1021/jp9088113

How Amelogenin Orchestrates the Organization of Hierarchical Elongated Microstructures of Apatite

Xiudong Yang, Lijun Wang, Yueling Qin, Zhi Sun, Zachary J. Henneman, Janet Moradian-Oldak and George H. Nancollas

Publication Date (Web): January 28, 2010 (Article)

DOI: 10.1021/jp910219s

Sponge Mesoporous Silica Formation Using Disordered Phospholipid Bilayers as Template

Anne Galarneau, Federica Sartori, Michela Cangiotti, Tzonka Mineva, Francesco Di Renzo and M. Francesca Ottaviani

Publication Date (Web): January 28, 2010 (Article)

DOI: 10.1021/jp908828q

January 27, 2010

Highly Ordered and Stable Layered “Polymer Nanosheets” Constructed with Amorphous Side Chains and π−π Stacking of Functional Groups in Ternary Comb Copolymers

Atsuhiro Fujimori, Hiroko Hoshizawa, Satoshi Kobayashi and Natsuki Sato, Kaname Kanai and Yukio Ouchi

Publication Date (Web): January 27, 2010 (Article)

DOI: 10.1021/jp9093782

Aminoacylation Reaction in the Histidyl-tRNA Synthetase: Fidelity Mechanism of the Activation Step

S. Dutta Banik and N. Nandi

Publication Date (Web): January 27, 2010 (Article)

DOI: 10.1021/jp910730s

January 26, 2010

Conformational Preferences of Linear β-Defensins Are Revealed by Ion Mobility-Mass Spectrometry

Martin De Cecco, Emily S. Seo, David J. Clarke, Bryan J. McCullough, Karen Taylor, Derek Macmillan, Julia R. Dorin, Dominic J. Campopiano and Perdita E. Barran

Publication Date (Web): January 26, 2010 (Article)

DOI: 10.1021/jp9111662

Investigation of Binary and Ternary Systems of Ionic Liquids with Water and/or Supercritical CO₂ by in Situ Attenuated Total Reflection Infrared Spectroscopy

Jean-Michel Andanson, Fabian Jutz and Alfons Baiker

Publication Date (Web): January 26, 2010 (Article)

DOI: 10.1021/jp911403s

Selectivity and Stoichiometry Boosting of β-Cyclodextrin in Cationic/Anionic Surfactant Systems: When Host−Guest Equilibrium Meets Biased Aggregation Equilibrium

Lingxiang Jiang, Yun Yan and Jianbin Huang, Caifang Yu and Changwen Jin, Manli Deng and Yilin Wang

Publication Date (Web): January 26, 2010 (Article)

DOI: 10.1021/jp911092y

Anomalous Water Molecules and Mechanistic Effects of Water Nanotube Clusters Confined to Molecular Porous Crystals

Makoto Tadokoro, Takashi Ohhara, Yuhki Ohhata, Takaaki Suda, Yuji Miyasato, Takeshi Yamada, Tatsuya Kikuchi, Ichiro Tanaka, Kazuo Kurihara, Masaharu Oguni, Kazuhiro Nakasuji, Osamu Yamamuro and Kuroki Ryota

Publication Date (Web): January 26, 2010 (Article)

DOI: 10.1021/jp9069465

Unfolding of Hydrophobic Polymers in Guanidinium Chloride Solutions

Rahul Godawat, Sumanth N. Jamadagni and Shekhar Garde

Publication Date (Web): January 26, 2010 (Article)

DOI: 10.1021/jp906976q

Computational and Experimental Study of the Structure, Binding Preferences, and Spectroscopy of Nickel(II) and Vanadyl Porphyrins in Petroleum

Stanislav R. Stoyanov, Cindy-Xing Yin, Murray R. Gray, Jeffrey M. Stryker, Sergey Gusarov and Andriy Kovalenko

Publication Date (Web): January 26, 2010 (Article)

DOI: 10.1021/jp908641t

Thermotropic Phase Behavior of Multilamellar Membranes of Dioleoylphosphatidylcholine

Yu-Dong Zhang, Ying Lu, Shu-Xin Hu and Ming Li

Publication Date (Web): January 26, 2010 (Article)

DOI: 10.1021/jp909739y

Explicitly Solvated Ligand Contribution to Continuum Solvation Models for Binding Free Energies: Selectivity of Theophylline Binding to an RNA Aptamer

Holly Freedman, Linh P. Huynh, Ly Le, Thomas E. Cheatham, III., Jack A. Tuszynski and Thanh N. Truong

Publication Date (Web): January 26, 2010 (Article)

DOI: 10.1021/jp9059664

January 25, 2010

Dynamic Correlation between Pressure-Induced Protein Structural Transition and Water Penetration

Takashi Imai and Yuji Sugita

Publication Date (Web): January 25, 2010 (Article)

DOI: 10.1021/jp909701j

Formation, Isomerization, and Dissociation of α-Carbon-Centered and π-Centered Glycylglycyltryptophan Radical Cations

Dominic C. M. Ng, Tao Song, S. O. Siu, C. K. Siu, Julia Laskin and Ivan K. Chu

Publication Date (Web): January 25, 2010 (Article)

DOI: 10.1021/jp908599a

Effects of Ligand Density on Hydrophobic Charge Induction Chromatography: Molecular Dynamics Simulation

Lin Zhang, Guofeng Zhao and Yan Sun

Publication Date (Web): January 25, 2010 (Article)

DOI: 10.1021/jp903852c

January 22, 2010

Effects of Nucleophile, Oxidative Damage, and Nucleobase Orientation on the Glycosidic Bond Cleavage in Deoxyguanosine

Eun Jung Shim, Jennifer L. Przybylski and Stacey D. Wetmore

Publication Date (Web): January 22, 2010 (Article)

DOI: 10.1021/jp9113656

Preparation of Calcium Oxalate by Vesicle Modification in the Catanionic Surfactant System CDS/TTABr/H₂O

Renhao Dong, Rui Weng, Yingying Dou, Li Zhang and Jingcheng Hao

Publication Date (Web): January 22, 2010 (Article)

DOI: 10.1021/jp908736d

Ultrafast Bond Twisting Dynamics in Amyloid Fibril Sensor

Prabhat K. Singh, Manoj Kumbhakar, Haridas Pal and Sukhendu Nath

Publication Date (Web): January 22, 2010 (Article)

DOI: 10.1021/jp911544r

Fluorescence Line Narrowing Studies on Isolated Chlorophyll Molecules

Alison Telfer, Andrew A. Pascal, Luc Bordes, James Barber and Bruno Robert

Publication Date (Web): January 22, 2010 (Article)

DOI: 10.1021/jp907537a

Miscibility of Ionic Liquids with Polyhydric Alcohols

Anna Makowska, Ewa Dyoniziak, Agnieszka Siporska and Jerzy Szydłowski

Publication Date (Web): January 22, 2010 (Article)

DOI: 10.1021/jp911660a

Properties of Ionic Liquids Absorbing SO₂ and the Mechanism of the Absorption

Shuhang Ren, Yucui Hou, Weize Wu, Qingya Liu, Yunfei Xiao and Xiaoting Chen

Publication Date (Web): January 22, 2010 (Article)

DOI: 10.1021/jp9108859

Ion-Radical Mechanism of Enzymatic ATP Synthesis: DFT Calculations and Experimental Control

Anatoly L. Buchachenko, Dmitry A. Kuznetsov and Natalia N. Breslavskaya

Publication Date (Web): January 22, 2010 (Article)

DOI: 10.1021/jp909992z

Insights into the Sliding Movement of the Lac Repressor Nonspecifically Bound to DNA

Simone Furini, Carmen Domene and Silvio Cavalcanti

Publication Date (Web): January 22, 2010 (Article)

DOI: 10.1021/jp906504m

Correlated Volume−Energy Fluctuations of Phospholipid Membranes: A Simulation Study

Ulf R. Pedersen, G

nther H. Peters, Thomas B. Schrøder and Jeppe C. Dyre

Publication Date (Web): January 22, 2010 (Article)

DOI: 10.1021/jp9086865

VB/MM Protein Landscapes: A Study of the S_N2 Reaction in Haloalkane Dehalogenase

Avital Sharir-Ivry, Tamar Shnerb, Marek

trajbl and Avital Shurki

Publication Date (Web): January 22, 2010 (Article)

DOI: 10.1021/jp905143d

Vertical Detachment Energy of Hydrated Electron Based on a Modified Form of Solvent Reorganization Energy

Xing-Jian Wang, Quan Zhu, Yun-Kui Li, Xue-Min Cheng, Xiang-Yuan Li, Ke-Xiang Fu and Fu-Cheng He

Publication Date (Web): January 22, 2010 (Article)

DOI: 10.1021/jp908759s

January 21, 2010

Differential Interaction of β-Cyclodextrin with Lipids of Varying Surface Charges: A Spectral Deciphering Using a Cationic Phenazinium Dye

Deboleena Sarkar, Debosreeta Bose, Atanu Mahata, Debanjana Ghosh and Nitin Chattopadhyay

Publication Date (Web): January 21, 2010 (Article)

DOI: 10.1021/jp9081867

Soret Effect of n-Octyl β-d-Glucopyranoside (C₈G₁) in Water around the Critical Micelle Concentration

Bastian Arlt, Sascha Datta, Thomas Sottmann and Simone Wiegand

Publication Date (Web): January 21, 2010 (Article)

DOI: 10.1021/jp907988r

Non-Native Side Chain IR Probe in Peptides: Ab Initio Computation and 1D and 2D IR Spectral Simulation

Michael L. Zheng, David C. Zheng and Jianping Wang

Publication Date (Web): January 21, 2010 (Article)

DOI: 10.1021/jp912062c

Nonsynchronicity Phenomenon Observed during the Lamellar−Micellar Phase Transitions of 1-Stearoyllysophosphatidylcholine Dispersed in Water

Fu-Gen Wu, Nan-Nan Wang, Ji-Sheng Yu, Jun-Jie Luo and Zhi-Wu Yu

Publication Date (Web): January 21, 2010 (Article)

DOI: 10.1021/jp9107014

Relationships for the Impact Sensitivities of Energetic C-Nitro Compounds Based on Bond Dissociation Energy

Jinshan Li

Publication Date (Web): January 21, 2010 (Article)

DOI: 10.1021/jp909404f

January 20, 2010

Electrochemical Characteristics of a Self-Propagating Molecular-Based Assembly

Leila Motiei, Michal Lahav, Antonino Gulino, Mark A. Iron and Milko E. van der Boom

Publication Date (Web): January 20, 2010 (Article)

DOI: 10.1021/jp910898f

January 19, 2010

Simulation Model for Hierarchical Self-Assembly of Soft Disklike Particles

Zhan-Wei Li, Zhao-Yan Sun and Zhong-Yuan Lu

Publication Date (Web): January 19, 2010 (Article)

DOI: 10.1021/jp909959k

January 15, 2010

Computational Modeling of Carbohydrate-Recognition Process in E-Selectin Complex: Structural Mapping of Sialyl Lewis X onto Ab Initio QM/MM Free Energy Surface

Toyokazu Ishida

Publication Date (Web): January 15, 2010 (Article)

DOI: 10.1021/jp905872t

January 12, 2010

Photoinduced Electron Transfer in Ruthenium(II)/Tin(IV) Multiporphyrin Arrays

M. Teresa Indelli, Claudio Chiorboli, Marco Ghirotti, Michele Orlandi, Franco Scandola, Hyun Jung Kim and Hee-Joon Kim

Publication Date (Web): January 12, 2010 (Article)

DOI: 10.1021/jp9107798

January 7, 2010

Multifrequency EPR Studies of Manganese Catalases Provide a Complete Description of Proteinaceous Nitrogen Coordination

Troy A. Stich, James W. Whittaker and R. David Britt

Publication Date (Web): January 7, 2010 (Article)

DOI: 10.1021/jp908064y

December 21, 2009

Singlet Exciton Fission for Solar Cell Applications: Energy Aspects of Interchromophore Coupling

Eric C. Greyson, Brian R. Stepp, Xudong Chen, Andrew F. Schwerin, Irina Paci, Millicent B. Smith, Akin Akdag, Justin C. Johnson, Arthur J. Nozik, Josef Michl and Mark A. Ratner

Publication Date (Web): December 21, 2009 (Article)

DOI: 10.1021/jp909002d