Articles ASAP (As Soon As Publishable)

ASAP articles are edited and published online ahead of print.

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November 20, 2009

Thermochemistry of Gaseous Ammonium Nitrate, NH4NO3(g)

D. L. Hildenbrand, K. H. Lau and D. Chandra
Publication Date (Web): November 20, 2009 (Article)
DOI: 10.1021/jp908062d

Nature of Chemical and Topological Disorder in Borogermanate Glasses: Insights from B-11 and O-17 Solid-State NMR and Quantum Chemical Calculations

Sung Keun Lee, Hyun Na Kim, Bum Han Lee, Hyo-Im Kim and Eun Jeong Kim
Publication Date (Web): November 20, 2009 (Article)
DOI: 10.1021/jp9093113

November 19, 2009

Singlet−Singlet Energy Transfer in Self-Assembled Systems of the Cationic Poly{9,9-bis[6-N,N,N-trimethylammonium)hexyl]fluorene-co-1,4-phenylene} with Oppositely Charged Porphyrins

Sara M. Pinto, Hugh D. Burrows, Mariette M. Pereira, Sofia M. Fonseca, Fernando B. Dias, Ricardo Mallavia and Maria J. Tapia
Publication Date (Web): November 19, 2009 (Article)
DOI: 10.1021/jp904959h

Properties of Hydrated Excess Protons near Phospholipid Bilayers

Takefumi Yamashita and Gregory A. Voth
Publication Date (Web): November 19, 2009 (Article)
DOI: 10.1021/jp908768c

Dynamic Insight into the Interaction between Porphyrin and G-quadruplex DNAs: Time-Resolved Fluorescence Anisotropy Study

Guoqing Jia, Zhaochi Feng, Chunying Wei, Jun Zhou, Xiuli Wang and Can Li
Publication Date (Web): November 19, 2009 (Article)
DOI: 10.1021/jp906060d

Reversible Visible-Light Photooxidation of an Oxomanganese Water-Oxidation Catalyst Covalently Anchored to TiO2 Nanoparticles

Gonghu Li, Eduardo M. Sproviero, William R. McNamara, Robert C. Snoeberger, III, Robert H. Crabtree, Gary W. Brudvig and Victor S. Batista
Publication Date (Web): November 19, 2009 (Article)
DOI: 10.1021/jp908925z

Influence of Glycerol on the Structure and Thermal Stability of Lysozyme: A Dynamic Light Scattering and Circular Dichroism Study

Alessandro Esposito, Lucia Comez, Stefania Cinelli, Filippo Scarponi and Giuseppe Onori
Publication Date (Web): November 19, 2009 (Article)
DOI: 10.1021/jp906739v

Effects of a Mutation on the Folding Mechanism of a β-Hairpin

Jarek Juraszek and Peter G. Bolhuis
Publication Date (Web): November 19, 2009 (Article)

Hamiltonian Replica Exchange Method Study of Escherichia coli and Yersinia pestis HPPK

Li Su and Robert I. Cukier
Publication Date (Web): November 19, 2009 (Article)
DOI: 10.1021/jp903861a

Studies of Enthalpy−Entropy Compensation, Partial Entropies, and Kirkwood−Buff Integrals for Aqueous Solutions of Glycine, l-Leucine, and Glycylglycine at 298.15 K

Deepti N. Kurhe, Dilip H. Dagade, Jyoti P. Jadhav, Sanjay P. Govindwar and Kesharsingh J. Patil
Publication Date (Web): November 19, 2009 (Article)
DOI: 10.1021/jp9078585

Effect of Charge Asymmetry on Adsorption and Phase Separation of Polyampholytes on Silica and Cellulose Surfaces

Junlong Song, Takashi Yamagushi, Deusanilde J. Silva, Martin A. Hubbe and Orlando J. Rojas
Publication Date (Web): November 19, 2009 (Article)
DOI: 10.1021/jp909047t

Structural Characterization of a Protein A Mimetic Peptide Dendrimer Bound to Human IgG

D. Moiani, M. Salvalaglio, C. Cavallotti, A. Bujacz, I. Redzynia, G. Bujacz, F. Dinon, P. Pengo and G. Fassina
Publication Date (Web): November 19, 2009 (Article)
DOI: 10.1021/jp909405b

Application of the Compensated Arrhenius Formalism to Dielectric Relaxation

Matt Petrowsky and Roger Frech
Publication Date (Web): November 19, 2009 (Article)
DOI: 10.1021/jp907018s

Partitioning of an Anchor Dipeptide in a Phospholipid Membrane

Victor V. Volkov and Roberto Righini
Publication Date (Web): November 19, 2009 (Article)
DOI: 10.1021/jp9082536

Proton-Regulated Electron Transfers from Tyrosine to Tryptophan in Proteins: Through-Bond Mechanism versus Long-Range Hopping Mechanism

Xiaohua Chen, Laibin Zhang, Liang Zhang, Jun Wang, Haiying Liu and Yuxiang Bu
Publication Date (Web): November 19, 2009 (Article)
DOI: 10.1021/jp9077689

Charge Transfer in Sapphyrin−Fullerene Hybrids Employing Dendritic Ensembles

Bruno Grimm, Elizabeth Karnas, Michael Brettreich, Kiminori Ohta, Andreas Hirsch, Dirk M. Guldi, Tomas Torres and Jonathan L. Sessler
Publication Date (Web): November 19, 2009 (Article)
DOI: 10.1021/jp906785f

Fluorescence Quenching of Buried Trp Residues by Acrylamide Does Not Require Penetration of the Protein Fold

Giovanni B. Strambini and Margherita Gonnelli
Publication Date (Web): November 19, 2009 (Article)
DOI: 10.1021/jp909567q

Oxidation and Reduction Products of X Irradiation at 10 K in Sucrose Single Crystals: Radical Identification by EPR, ENDOR, and DFT

Hendrik De Cooman, Ewald Pauwels, Henk Vrielinck, Einar Sagstuen, Michel Waroquier and Freddy Callens
Publication Date (Web): November 19, 2009 (Article)
DOI: 10.1021/jp909247z

The Kinetic Effect of Internal Hydrogen Bonds on Proton-Coupled Electron Transfer from Phenols: A Theoretical Analysis with Modeling of Experimental Data

Linus O. Johannissen, Tania Irebo, Martin Sjdin, Olof Johansson and Leif Hammarstrm
Publication Date (Web): November 19, 2009 (Article)
DOI: 10.1021/jp9048633

Critical Phenomenon Analysis of Shear-Banding Flow in Polymer-like Micellar Solutions. 1. Theoretical Approach

Fernando Bautista, Manuel Muoz, Jorge Castillo-Tejas, Juan H. Prez-Lpez, Jorge E. Puig and Octavio Manero
Publication Date (Web): November 19, 2009 (Article)
DOI: 10.1021/jp906310k

An Atomistic Model for Simulations of the General Anesthetic Isoflurane

Jrme Hnin, Grace Brannigan, William P. Dailey, Roderic Eckenhoff and Michael L. Klein
Publication Date (Web): November 19, 2009 (Article)
DOI: 10.1021/jp9088035

Reaction Pathway and Free-Energy Barrier for Reactivation of Dimethylphosphoryl-Inhibited Human Acetylcholinesterase

Junjun Liu, Yingkai Zhang and Chang-Guo Zhan
Publication Date (Web): November 19, 2009 (Article)
DOI: 10.1021/jp9055335

Quantum-Chemical Analysis of Thermodynamics of Two-Dimensional Cluster Formation of α-Amino Acids at the Air/Water Interface

Yu. B. Vysotsky, E. S. Fomina, E. A. Belyaeva, E. V. Aksenenko, D. Vollhardt and R. Miller
Publication Date (Web): November 19, 2009 (Article)
DOI: 10.1021/jp907751z

A Novel Supramolecular Organogel Nanotubular Template Approach for Conducting Nanomaterials

P. Anilkumar and M. Jayakannan
Publication Date (Web): November 19, 2009 (Article)
DOI: 10.1021/jp909016r

November 17, 2009

Relating the Diffusion of Small Ligands in Human Neuroglobin to Its Structural and Mechanical Properties

Anthony Bocahut, Sophie Bernad, Pierre Sebban and Sophie Sacquin-Mora
Publication Date (Web): November 17, 2009 (Article)
DOI: 10.1021/jp906854x

Photophysical and Spectroscopic Investigations on (Oligo)Thiophene-Arylene Step-ladder Copolymers. The Interplay of Conformational Relaxation and On-Chain Energy Transfer

J. Pina, J. Seixas de Melo, H. D. Burrows, T. W. Bnnagel, D. Dolfen, C. J. Kudla and U. Scherf
Publication Date (Web): November 17, 2009 (Article)
DOI: 10.1021/jp9054022

November 16, 2009

Local Electronic Structure of Functional Groups in Glycine As Anion, Zwitterion, and Cation in Aqueous Solution

Johan Gråsjö, Egil Andersson, Johan Forsberg, Laurent Duda, Ev Henke, Wandared Pokapanich, Olle Bjrneholm, Joakim Andersson, Annette Pietzsch, Franz Hennies and Jan-Erik Rubensson
Publication Date (Web): November 16, 2009 (Article)
DOI: 10.1021/jp905998x

Study of Layer-by-Layer Films on Thermoresponsive Nanogels Using Temperature-Controlled Dual-Focus Fluorescence Correlation Spectroscopy

John E. Wong, Claus B. Mller, Ana M. Dez-Pascual and Walter Richtering
Publication Date (Web): November 16, 2009 (Article)
DOI: 10.1021/jp903941c

Multiscale Simulation for Conducting Conjugated Polymers from Solution to the Quenching State

Cheng K. Lee, Chi C. Hua and Show A. Chen
Publication Date (Web): November 16, 2009 (Article)
DOI: 10.1021/jp907338j

November 13, 2009

Molecular Aggregation Behavior of Perylene-Bridged Bis(β-cyclodextrin) and Its Electronic Interactions upon Selective Binding with Aromatic Guests

Ke-Rang Wang, Dong-Sheng Guo, Bang-Ping Jiang, Zhan-Hu Sun and Yu Liu
Publication Date (Web): November 13, 2009 (Article)
DOI: 10.1021/jp908699b

Single Molecule Conductance of Bipyridyl Ethynes: The Role of Surface Binding Modes

Kirill A. Velizhanin, Tarek A. Zeidan, Igor V. Alabugin and Sergei Smirnov
Publication Date (Web): November 13, 2009 (Article)
DOI: 10.1021/jp9083579

Effect of Conical Nanopore Diameter on Ion Current Rectification

Michelle L. Kovarik, Kaimeng Zhou and Stephen C. Jacobson
Publication Date (Web): November 13, 2009 (Article)
DOI: 10.1021/jp9076189

Computational Identification of Slow Conformational Fluctuations in Proteins

Arvind Ramanathan and Pratul K. Agarwal
Publication Date (Web): November 13, 2009 (Article)
DOI: 10.1021/jp9077213

November 12, 2009

Effect of Water on the Changes in Morphology and Proton Conductivity for the Highly Crystalline Hydrocarbon Polymer Electrolyte Membrane for Fuel Cells

Mohammad A. Barique, Libin Wu, Naohiko Takimoto, Koh Kidena and Akihiro Ohira
Publication Date (Web): November 12, 2009 (Article)
DOI: 10.1021/jp905297m

Study of the Critical Behavior and Scaling Relationships at the N-to-I Phase Transition in Hexyloxycyanobiphenyl

J. Salud, P. Cusmin, M. R. de la Fuente, M. A. Prez-Jubindo, D. O. Lpez and S. Diez-Berart
Publication Date (Web): November 12, 2009 (Article)
DOI: 10.1021/jp906105u

pH-Sensitive “On−Off” Switching Behavior of Layer-by-Layer Films Assembled by Concanavalin A and Dextran toward Electroactive Probes and its Application in Bioelectrocatalysis

Huiqin Yao and Naifei Hu
Publication Date (Web): November 12, 2009 (Article)
DOI: 10.1021/jp906345s

Curvature of Purple Membranes Comprising Permanently Wedge-Shaped Bacteriorhodopsin Molecules Is Regulated by Lipid Content

Daniel Rhinow and Norbert Hampp
Publication Date (Web): November 12, 2009 (Article)
DOI: 10.1021/jp908408d

Nucleobase Lesions and Strand Breaks in Dry DNA Thin Film Selectively Induced by Monochromatic Soft X-rays

Kentaro Fujii, Naoya Shikazono and Akinari Yokoya
Publication Date (Web): November 12, 2009 (Article)
DOI: 10.1021/jp9062737

A Highly Accurate and Analytic Equation of State for a Hard Sphere Fluid in Random Porous Media

M. Holovko and W. Dong
Publication Date (Web): November 12, 2009 (Addition/Correction)
DOI: 10.1021/jp9103307

Enhanced Activity of Enzymes Immobilized in Thermoresponsive Core−Shell Microgels

Nicole Welsch and Alexander Wittemann, Matthias Ballauff
Publication Date (Web): November 12, 2009 (Article)

Structural Plasticity and Functional Implications of Internal Cavities in Distal Mutants of Type 1 Non-Symbiotic Hemoglobin AHb1 from Arabidopsis thaliana

Serena Faggiano, Stefania Abbruzzetti, Francesca Spyrakis, Elena Grandi, Cristiano Viappiani, Stefano Bruno, Andrea Mozzarelli, Pietro Cozzini, Alessandra Astegno, Paola Dominici, Silvia Brogioni, Alessandro Feis, Giulietta Smulevich, Oliver Carrillo, Peter Schmidtke, Axel Bidon-Chanal and F. Javier Luque
Publication Date (Web): November 12, 2009 (Article)
DOI: 10.1021/jp9074477

November 11, 2009

Set−Reset Flip-Flop Memory Based on Enzyme Reactions: Toward Memory Systems Controlled by Biochemical Pathways

Marcos Pita, Guinevere Strack, Kevin MacVittie, Jian Zhou and Evgeny Katz
Publication Date (Web): November 11, 2009 (Article)
DOI: 10.1021/jp908291f

Atomic Force Spectroscopy in Biological Complex Formation: Strategies and Perspectives

Anna Rita Bizzarri and Salvatore Cannistraro
Publication Date (Web): November 11, 2009 (Feature Article)
DOI: 10.1021/jp902421r

Vibrational Spectroscopy of Secondary Amine Salts: 1. Assignment of NH2+ Stretching Frequencies in Crystalline Phases

Guinevere A. Giffin, Scott Boesch, Dharshani N. Bopege, Douglas R. Powell, Ralph A. Wheeler and Roger Frech
Publication Date (Web): November 11, 2009 (Article)
DOI: 10.1021/jp9043804

Lanthanide Oleates: Chelation, Self-assembly, and Exemplification of Ordered Nanostructured Colloidal Contrast Agents for Medical Imaging

Guozhen Liu, Charlotte E. Conn and Calum J. Drummond
Publication Date (Web): November 11, 2009 (Article)
DOI: 10.1021/jp906344u

Peroxyl-Radical-Scavenging Activity of Garlic: 2-Propenesulfenic Acid versus Allicin

Annia Galano and Misaela Francisco-Marquez
Publication Date (Web): November 11, 2009 (Article)
DOI: 10.1021/jp907906h

Slow Solvation Dynamics in the Microheterogeneous Water Channels of Nafion Membranes

Tarak Nath Burai and Anindya Datta
Publication Date (Web): November 11, 2009 (Article)
DOI: 10.1021/jp907902t

Homopairings of the Artificial Nucleobase 1H-Benzoimidazole-4,7-dione

Ross E. A. Kelly and Lev N. Kantorovich
Publication Date (Web): November 11, 2009 (Article)
DOI: 10.1021/jp9063092

“Self-Preservation” of CO2 Gas Hydrates—Surface Microstructure and Ice Perfection

Andrzej Falenty and Werner F. Kuhs
Publication Date (Web): November 11, 2009 (Article)
DOI: 10.1021/jp906859a

Liquid-Crystalline Nematic Phase in Aqueous Suspensions of a Disk-Shaped Natural Beidellite Clay

E. Paineau, K. Antonova, C. Baravian, I. Bihannic, P. Davidson, I. Dozov, M. Impror-Clerc, P. Levitz, A. Madsen, F. Meneau and L. J. Michot
Publication Date (Web): November 11, 2009 (Article)
DOI: 10.1021/jp908326y

Noncovalent Interactions Involving Histidine: The Effect of Charge on π−π Stacking and T-Shaped Interactions with the DNA Nucleobases

Cassandra D. M. Churchill and Stacey D. Wetmore
Publication Date (Web): November 11, 2009 (Article)
DOI: 10.1021/jp907887y

November 10, 2009

Enzyme-Based NAND and NOR Logic Gates with Modular Design

Jian Zhou, Mary A. Arugula, Jan Halmek, Marcos Pita and Evgeny Katz
Publication Date (Web): November 10, 2009 (Article)
DOI: 10.1021/jp9079052

Nature of Excited States and Relaxation Mechanisms in C-Phycocyanin

Jordan M. Womick and Andrew M. Moran
Publication Date (Web): November 10, 2009 (Article)
DOI: 10.1021/jp908093x

Proteins Fold by Subdiffusion of the Order Parameter

Amandeep K. Sangha and T. Keyes
Publication Date (Web): November 10, 2009 (Article)
DOI: 10.1021/jp907009r

Nanoscale In Situ Morphological Study of Proteins Immobilized on Gold Thin Films

Francesca A. Scaramuzzo, Romina Salvati, Barbara Paci, Amanda Generosi, Valerio Rossi-Albertini, Alessandro Latini and Mario Barteri
Publication Date (Web): November 10, 2009 (Article)
DOI: 10.1021/jp907149m

Viscosity of Nanoconfined Polyamide-6,6 Oligomers: Atomistic Reverse Nonequilibrium Molecular Dynamics Simulation

Hossein Eslami and Florian Mller-Plathe
Publication Date (Web): November 10, 2009 (Article)
DOI: 10.1021/jp908659w

Spontaneous Deformation of an Oil Droplet Induced by the Cooperative Transport of Cationic and Anionic Surfactants through the Interface

Yutaka Sumino, Hiroyuki Kitahata, Hideki Seto, Satoshi Nakata and Kenichi Yoshikawa
Publication Date (Web): November 10, 2009 (Article)
DOI: 10.1021/jp9037733

Synchronously Amplified Fluorescence Image Recovery (SAFIRe)

Chris I. Richards, Jung-Cheng Hsiang and Robert M. Dickson
Publication Date (Web): November 10, 2009 (Article)
DOI: 10.1021/jp909167j

Electrochemical and Photovoltaic Properties of Electropolymerized Poly(thienylsilole)s

Joshua C. Byers, Paul M. DiCarmine, Mahmoud M. Abd Rabo Moustafa, Xin Wang, Brian L. Pagenkopf and Oleg A. Semenikhin
Publication Date (Web): November 10, 2009 (Article)
DOI: 10.1021/jp904428p

A Theoretical Study on the Nature of On- and Off-States of Reversibly Photoswitching Fluorescent Protein Dronpa: Absorption, Emission, Protonation, and Raman

Xin Li, Lung Wa Chung, Hideaki Mizuno, Atsushi Miyawaki and Keiji Morokuma
Publication Date (Web): November 10, 2009 (Article)
DOI: 10.1021/jp909947c

November 9, 2009

Linker Effects on Monolayer Formation and Long-Range Electron Transfer in Helical Peptide Monolayers

Yoko Arikuma, Kazuki Takeda, Tomoyuki Morita, Masashi Ohmae and Shunsaku Kimura*
Publication Date (Web): November 9, 2009 (Addition/Correction)
DOI: 10.1021/jp908369t

Experimental Study on Conformational Changes of Lysozyme in Solution Induced by Pulsed Electric Field and Thermal Stresses

Wei Zhao and Ruijin Yang
Publication Date (Web): November 9, 2009 (Article)
DOI: 10.1021/jp9081189

Assessment of the Spatial Distribution in Sub- and Supercritical CO2 Using the Nearest Neighbor Approach: A Molecular Dynamics Analysis

A. Idrissi, I. Vyalov and P. Damay, A. Frolov, R. Oparin and M. Kiselev
Publication Date (Web): November 9, 2009 (Article)
DOI: 10.1021/jp9042107

Contrasting Thermosolvatochromic Trends in Pyridinium-, Pyrrolidinium-, and Phosphonium-Based Ionic Liquids

Nageshwar D. Khupse and Anil Kumar
Publication Date (Web): November 9, 2009 (Article)
DOI: 10.1021/jp908498p

Exciton Coherence and Energy Transport in the Light-Harvesting Dimers of Allophycocyanin

Jordan M. Womick and Andrew M. Moran
Publication Date (Web): November 9, 2009 (Article)
DOI: 10.1021/jp907644h

November 6, 2009

Location, Tilt, and Binding: A Molecular Dynamics Study of Voltage-Sensitive Dyes in Biomembranes

Marlon J. Hinner, Siewert-J. Marrink and Alex H. de Vries
Publication Date (Web): November 6, 2009 (Article)
DOI: 10.1021/jp907981y

Chiral Separation of Racemic Phenylglycines in Thermolysin Crystal: A Molecular Simulation Study

Zhongqiao Hu and Jianwen Jiang
Publication Date (Web): November 6, 2009 (Article)
DOI: 10.1021/jp9055889

Structural and Energetic Analysis on the Complexes of Clinically Isolated Subtype C HIV-1 Proteases and Approved Inhibitors by Molecular Dynamics Simulation

Shou Matsuyama, Ay Aydan, Hirotaka Ode, Masayuki Hata, Wataru Sugiura and Tyuji Hoshino
Publication Date (Web): November 6, 2009 (Article)
DOI: 10.1021/jp908314f

Micron-Sized Structure in a Thin Glycerol Film Revealed by Fluorescent Probes

Ted Xia, Liantuan Xiao and Michel Orrit
Publication Date (Web): November 6, 2009 (Article)
DOI: 10.1021/jp9058388

Frequency Effects during Acoustic Cavitation in Surfactant Solutions

Shuhui Wu, Thomas Leong, Sandra Kentish and Muthupandian Ashokkumar
Publication Date (Web): November 6, 2009 (Article)
DOI: 10.1021/jp9083458

Investigation of Two-Photon Absorption Induced Excited State Absorption in a Fluorenyl-Based Chromophore

Changwei Li, Kun Yang, Yan Feng, Xinyan Su, Junyi Yang, Xiao Jin, Min Shui, Yuxiao Wang, Xueru Zhang, Yinglin Song and Hongyao Xu
Publication Date (Web): November 6, 2009 (Article)
DOI: 10.1021/jp906057y

On the Possibility of the Amphotericin B-Sterol Complex Formation in Cholesterol- and Ergosterol-Containing Lipid Bilayers: A Molecular Dynamics Study

Anna Neumann, Jacek Czub and Maciej Baginski
Publication Date (Web): November 6, 2009 (Article)
DOI: 10.1021/jp905133f

Interfacial Behavior of Perchlorate versus Chloride Ions in Aqueous Solutions

Marcel D. Baer, I-Feng William Kuo, Hendrik Bluhm and Sutapa Ghosal
Publication Date (Web): November 6, 2009 (Article)
DOI: 10.1021/jp9053154

Liquidlike Nature of Crystalline n-Butane and n-Pentane Films Studied by Time-of-Flight Secondary Ion Mass Spectrometry

Ryutaro Souda
Publication Date (Web): November 6, 2009 (Article)

Role of Nitrogen in the Formation of HC−N Films by CH4/N2 Barrier Discharge Plasma: Aliphatic Tendency

Abhijit Majumdar, Gobind Das, Kaleswara Rao Basvani, Joachim Heinicke and Rainer Hippler
Publication Date (Web): November 6, 2009 (Article)
DOI: 10.1021/jp906654m

Liquid-Ordered Phase Formation in Cholesterol/Sphingomyelin Bilayers: All-Atom Molecular Dynamics Simulations

Jernej Zidar, Franci Merzel, Milan Hodoek, Katja Rebolj, Kristina Sepi, Peter Maek and Duanka Janei
Publication Date (Web): November 6, 2009 (Article)
DOI: 10.1021/jp907138h

Spectroscopic Study on Water Diffusion in Poly(ester urethane) Block Copolymer Matrix

Wei Wang, Ying Jin and Zhaohui Su
Publication Date (Web): November 6, 2009 (Article)
DOI: 10.1021/jp906718t

November 5, 2009

Molecular Ordering and Molecular Dynamics in Isotactic-Polypropylene Characterized by Solid State NMR

Toshikazu Miyoshi, Al Mamun and Wei Hu
Publication Date (Web): November 5, 2009 (Article)
DOI: 10.1021/jp908649y

October 29, 2009

Singlet Oxygen Delivery Through the Porous Cap of a Hollow-Core Fiber Optic Device

Matibur Zamadar, David Aebisher and Alexander Greer
Publication Date (Web): October 29, 2009 (Article)
DOI: 10.1021/jp907945c

Charge Transport and Dipolar Relaxations in Imidazolium-Based Ionic Liquids

C. Krause, J. R. Sangoro, C. Iacob and F. Kremer
Publication Date (Web): October 29, 2009 (Article)
DOI: 10.1021/jp908519u

October 28, 2009

Local Order, Energy, and Mobility of Water Molecules in the Hydration Shell of Small Peptides

Manish Agarwal, Hemant R. Kushwaha and Charusita Chakravarty
Publication Date (Web): October 28, 2009 (Article)
DOI: 10.1021/jp909090u

October 27, 2009

Azido Push−Pull Fluorogens Photoactivate to Produce Bright Fluorescent Labels

Samuel J. Lord, Hsiao-lu D. Lee, Reichel Samuel, Ryan Weber, Na Liu, Nicholas R. Conley, Michael A. Thompson, Robert J. Twieg and W. E. Moerner
Publication Date (Web): October 27, 2009 (Article)
DOI: 10.1021/jp907080r

Electronic Polarization Is Important in Stabilizing the Native Structures of Proteins

Chang G. Ji and John Z. H. Zhang
Publication Date (Web): October 27, 2009 (Article)
DOI: 10.1021/jp907999e

Tricationic Porphyrin Conjugates: Evidence for Chain-Structure-Dependent Relaxation of Excited Singlet and Triplet States

Joo Nuno Silva, Francisco Bosca, Joo P. C. Tom, Eduarda M. P. Silva, Maria G. P. M. S. Neves, Jos A. S. Cavaleiro, Larry K. Patterson, Paulo Filipe, Jean-Claude Mazire, Ren Santus and Patrice Morlire
Publication Date (Web): October 27, 2009 (Article)
DOI: 10.1021/jp907930w

October 26, 2009

Orientational Order of Fluorinated Mesogens Containing the 1,3,2-Dioxaborinane Ring: A Multidisciplinary Approach

S. Borsacchi, L. Calucci, J. Czub, R. Dabrowski, M. Geppi, W. Kuczyski, A. Marini, B. Mennucci and S. Urban
Publication Date (Web): October 26, 2009 (Article)
DOI: 10.1021/jp908241n

October 23, 2009

Deprotonation and Oligomerization in Photo-, Radiolytically, and Electrochemically Induced Redox Reactions in Hydrophobic Alkylalkylimidazolium Ionic Liquids

Ilya A. Shkrob
Publication Date (Web): October 23, 2009 (Article)
DOI: 10.1021/jp9081678

October 21, 2009

Thermal and Transport Properties of Ionic Liquids Based on Benzyl-Substituted Phosphonium Cations

Katsuhiko Tsunashima, Eiko Niwa, Shun Kodama, Masashi Sugiya and Yasushi Ono
Publication Date (Web): October 21, 2009 (Article)
DOI: 10.1021/jp908356c

Self-Aggregation Behavior of Fluorescent Carbazole-Tailed Imidazolium Ionic Liquids in Aqueous Solutions

Bin Dong, Yan’an Gao, Yijin Su, Liqiang Zheng, Jingkun Xu and Tohru Inoue
Publication Date (Web): October 21, 2009 (Article)
DOI: 10.1021/jp908136f

Born−Oppenheimer ab Initio QM/MM Molecular Dynamics Simulations of the Hydrolysis Reaction Catalyzed by Protein Arginine Deiminase 4

Zhihong Ke, Shenglong Wang, Daiqian Xie and Yingkai Zhang
Publication Date (Web): October 21, 2009 (Article)
DOI: 10.1021/jp9080614

October 20, 2009

Energetic and Entropic Forces Governing the Attraction between Polyelectrolyte-Grafted Colloids

Gaurav Arya
Publication Date (Web): October 20, 2009 (Article)
DOI: 10.1021/jp908007z

Quantum Coherence Enabled Determination of the Energy Landscape in Light-Harvesting Complex II

Tessa R. Calhoun, Naomi S. Ginsberg, Gabriela S. Schlau-Cohen, Yuan-Chung Cheng, Matteo Ballottari, Roberto Bassi and Graham R. Fleming
Publication Date (Web): October 20, 2009 (Letter)
DOI: 10.1021/jp908300c

Structure and Photoinduced Electron Transfer in DNA Hairpin Conjugates Possessing a Tethered 5′-Pyrenecarboxamide

Karsten Siegmund, Pierre Daublain, Qiang Wang, Anton Trifonov, Torsten Fiebig and Frederick D. Lewis
Publication Date (Web): October 20, 2009 (Article)
DOI: 10.1021/jp907323d

October 19, 2009

Investigation of the Resonance Raman Spectra and Excitation Profiles of a Monometallic Ruthenium(II) [Ru(bpy)2(HAT)]2+ Complex by Time-Dependent Density Functional Theory

Julien Guthmuller, Benot Champagne, Ccile Moucheron and Andre Kirsch - De Mesmaeker
Publication Date (Web): October 19, 2009 (Article)
DOI: 10.1021/jp908154q

October 16, 2009

Modeling the Fluorescence of Protein-Embedded Tryptophans with ab Initio Multiconfigurational Quantum Chemistry: The Limiting Cases of Parvalbumin and Monellin

Sara Pistolesi, Adalgisa Sinicropi, Rebecca Pogni, Riccardo Basosi, Nicolas Ferr and Massimo Olivucci
Publication Date (Web): October 16, 2009 (Article)
DOI: 10.1021/jp9080993

October 9, 2009

Charge Separation and Recombination in Small Band Gap Oligomer−Fullerene Triads

Bram P. Karsten, Ricardo K. M. Bouwer, Jan C. Hummelen, Ren M. Williams and Ren A. J. Janssen
Publication Date (Web): October 9, 2009 (Article)
DOI: 10.1021/jp906973d

September 24, 2009

Conformational Analysis in a Multidimensional Energy Landscape: Study of an Arginylglutamate Repeat

Sara R. R. Campos and Antnio M. Baptista
Publication Date (Web): September 24, 2009 (Article)
DOI: 10.1021/jp902991u

August 19, 2009

Distance Dependence of the Charge Transfer Rate for Peptide Nucleic Acid Monolayers

Amit Paul, Richard M. Watson, Emil Wierzbinski, Kathryn L. Davis, Allen Sha, Catalina Achim and David H. Waldeck
Publication Date (Web): August 19, 2009 (Article)
DOI: 10.1021/jp906910h

September 15, 2009

Temperature-Dependent Exciton Dynamics in J-Aggregates—When Disorder Plays a Role

Theo E. Kaiser, Ivan G. Scheblykin, Daniel Thomsson and Frank Wrthner
Publication Date (Web): September 15, 2009 (Article)
DOI: 10.1021/jp905246r
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