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This page shows you the most recent publications within this specialty of the MedWorm directory. This is page number 5.

Nanostructured Fluorite-Type Fluorides As Electrolytes for Fluoride Ion Batteries
The Journal of Physical Chemistry CDOI: 10.1021/jp3117825
Source: The Journal of Physical Chemistry C - March 1, 2013 Category: Chemistry Authors: Carine Rongeat, M. Anji Reddy, Raiker Witter and Maximilian Fichtner Source Type: research

Synthesis of Gold Hexagonal Bipyramids Directed by Planar-Twinned Silver Triangular Nanoprisms
Journal of the American Chemical SocietyDOI: 10.1021/ja400794q
Source: Journal of the American Chemical Society - March 1, 2013 Category: Chemistry Authors: Michelle L. Personick, Mark R. Langille, Jinsong Wu and Chad A. Mirkin Source Type: research

Facile, Efficient, and Diastereoselective Synthesis of Heterohelicene-like Molecules
Organic LettersDOI: 10.1021/ol400154j
Source: Organic Letters - March 1, 2013 Category: Chemistry Authors: Wei Lin, Guo-Lan Dou, Ming-Hua Hu, Cheng-Pao Cao, Zhi-Bin Huang and Da-Qing Shi Source Type: research

Synthesis of 2-Aryl-3-fluoro-5-silylthiophenes via a Cascade Reactive Sequence
Organic LettersDOI: 10.1021/ol400141y
Source: Organic Letters - March 1, 2013 Category: Chemistry Authors: Kensuke Hirotaki and Takeshi Hanamoto Source Type: research

Nickel-Catalyzed Ring-Opening Alkylative Coupling of Enone with Methylenecyclopropane in the Presence of Triethylborane
Organic LettersDOI: 10.1021/ol303548x
Source: Organic Letters - March 1, 2013 Category: Chemistry Authors: Kenichi Ogata, Daisuke Shimada, Shouichi Furuya and Shin-ichi Fukuzawa Source Type: research

Enantioselective Synthesis of (+)-Obolactone Based on a Symmetry-Breaking Wacker Monooxidation of a Diene
Organic LettersDOI: 10.1021/ol400232m
Source: Organic Letters - March 1, 2013 Category: Chemistry Authors: Patrick Walleser and Reinhard Brückner Source Type: research

Oxygen Insertion of o-Quinone under Catalytic Hydrogenation Conditions
Organic LettersDOI: 10.1021/ol400164e
Source: Organic Letters - March 1, 2013 Category: Chemistry Authors: Da-Li Zhang, Li-Yan Zhou, Jun-Min Quan, Wei Zhang, Lian-Quan Gu, Zhi-Shu Huang and Lin-Kun An Source Type: research

Combining Small-Volume Metabolomic and Transcriptomic Approaches for Assessing Brain Chemistry
Analytical ChemistryDOI: 10.1021/ac3032959
Source: Analytical Chemistry - March 1, 2013 Category: Chemistry Authors: Ann M. Knolhoff, Katherine M. Nautiyal, Peter Nemes, Sergey Kalachikov, Irina Morozova, Rae Silver and Jonathan V. Sweedler Source Type: research

Portable, Quantitative Detection of Bacillus Bacterial Spores Using Surface-Enhanced Raman Scattering
Analytical ChemistryDOI: 10.1021/ac303657k
Source: Analytical Chemistry - March 1, 2013 Category: Chemistry Authors: David P. Cowcher, Yun Xu and Royston Goodacre Source Type: research

Torsion Angle Preferences in Druglike Chemical Space: A Comprehensive Guide
Journal of Medicinal ChemistryDOI: 10.1021/jm3016816
Source: Journal of Medicinal Chemistry - March 1, 2013 Category: Chemistry Authors: Christin Schärfer, Tanja Schulz-Gasch, Hans-Christian Ehrlich, Wolfgang Guba, Matthias Rarey and Martin Stahl Source Type: research

Highly Efficient and Stereocontrolled Construction of 3,3′-Pyrrolidonyl Spirooxindoles via Organocatalytic Domino Michael/Cyclization Reaction
Organic LettersDOI: 10.1021/ol400183k
Source: Organic Letters - March 1, 2013 Category: Chemistry Authors: Xiong-Li Liu, Wen-Yong Han, Xiao-Mei Zhang and Wei-Cheng Yuan Source Type: research

Correction to Observation of a Mixed-Metal Transition in Heterobimetallic Au/Ag Dicyanide Systems
Inorganic ChemistryDOI: 10.1021/ic400137g
Source: Inorganic Chemistry - March 1, 2013 Category: Chemistry Authors: Samanthika R. Hettiarachchi, Brian K. Schaefer, Renante L. Yson, Richard J. Staples, Regine Herbst-Irmer and Howard H. Patterson Source Type: research

Correction to Copper(I) Cyanide Networks: Synthesis, Structure, and Luminescence Behavior. Part 2. Piperazine Ligands and Hexamethylenetetramine
Inorganic ChemistryDOI: 10.1021/ic4001363
Source: Inorganic Chemistry - March 1, 2013 Category: Chemistry Authors: Mi Jung Lim, Courtney A. Murray, Tristan A. Tronic, Kathryn E. deKrafft, Amanda N. Ley, Jordan C. deButts, Robert D. Pike, Haiyan Lu and Howard H. Patterson Source Type: research

Manipulating Nanoscale Morphologies in Cylinder-Forming Poly(styrene-b-isoprene-b-styrene) Thin Films Using Film Thickness and Substrate Surface Chemistry Gradients
MacromoleculesDOI: 10.1021/ma302410q
Source: Macromolecules - March 1, 2013 Category: Chemistry Authors: Ming Luo, Jonathan E. Seppala, Julie N. L. Albert, Ronald L. Lewis, Nikhila Mahadevapuram, Gila E. Stein and Thomas H. Epps Source Type: research

Comparative Evaluation of Catalytic Counter Electrodes for Co(III)/(II) Electron Shuttles in Regenerative Photoelectrochemical Cells
The Journal of Physical Chemistry CDOI: 10.1021/jp312066n
Source: The Journal of Physical Chemistry C - March 1, 2013 Category: Chemistry Authors: Stefano Carli, Eva Busatto, Stefano Caramori, Rita Boaretto, Roberto Argazzi, Cliff. J. Timpson and Carlo Alberto Bignozzi Source Type: research

Molecular Orientation and Dynamics of Different Sized Organic Radicals Included in Organic 1D Nanochannels
The Journal of Physical Chemistry ADOI: 10.1021/jp311784a
Source: Journal of Physical Chemistry A - March 1, 2013 Category: Chemistry Authors: Hirokazu Kobayashi, Kanae Takeuchi and Tetsuo Asaji Source Type: research

Direct Test of the Equivalency of Dynamic IR and Dynamic Raman Spectroscopies As Techniques for Observing Ultrafast Molecular Dynamics
The Journal of Physical Chemistry ADOI: 10.1021/jp400696f
Source: Journal of Physical Chemistry A - March 1, 2013 Category: Chemistry Authors: Andrea N. Giordano, Seth M. Morton, Lasse Jensen and Benjamin J. Lear Source Type: research

Correction to Optical Memory and Multistep Luminescence Thermochromism in Single Crystals of K2Na[Ag(CN)2]3
Inorganic ChemistryDOI: 10.1021/ic400135a
Source: Inorganic Chemistry - March 1, 2013 Category: Chemistry Authors: Mohammad A. Omary, Julie Clarissa F. Colis, C. L. Larochelle and Howard H. Patterson Source Type: research

Energy Disposition in Reactive Intermediates
Chemical ReviewsDOI: 10.1021/cr300511u
Source: Chemical Reviews - March 1, 2013 Category: Chemistry Authors: Barry K. Carpenter Source Type: research

Facile Synthesis of Graphene/Metal Nanoparticle Composites via Self-Catalysis Reduction at Room Temperature
Inorganic ChemistryDOI: 10.1021/ic302608g
Source: Inorganic Chemistry - March 1, 2013 Category: Chemistry Authors: Qiqi Zhuo, Yanyun Ma, Jing Gao, Pingping Zhang, Yujian Xia, Yiming Tian, Xiuxiao Sun, Jun Zhong and Xuhui Sun Source Type: research

Solvent-Induced Structural Dynamics in Noninterpenetrating Porous Coordination Polymeric Networks
Inorganic ChemistryDOI: 10.1021/ic302334x
Source: Inorganic Chemistry - March 1, 2013 Category: Chemistry Authors: Raghavender Medishetty, Daram Jung, Xiaokai Song, Dongwook Kim, Shim Sung Lee, Myoung Soo Lah and Jagadese J. Vittal Source Type: research

Application of the Compensated Arrhenius Formalism to Fluidity Data of Polar Organic Liquids
The Journal of Physical Chemistry BDOI: 10.1021/jp312034e
Source: Journal of Physical Chemistry B - March 1, 2013 Category: Chemistry Authors: Matt Petrowsky, Allison M. Fleshman and Roger Frech Source Type: research

Protein Effects on the Optical Spectrum of the Fenna–Matthews–Olson Complex from Fully Quantum Chemical Calculations
Journal of Chemical Theory and ComputationDOI: 10.1021/ct301111q
Source: Journal of Chemical Theory and Computation - March 1, 2013 Category: Chemistry Authors: Carolin König and Johannes Neugebauer Source Type: research

Cool Way To Make Hydrogen From Methanol
Fuel Chemistry: Soluble ruthenium catalyst could drop operating temperatures of fuel cells
Source: Chemical and Engineering News - March 1, 2013 Category: Chemistry Authors: Mitch Jacoby Source Type: research

River Blindness Marker Found In Patients
Diagnostics: Discovery of parasite-derived metabolite could aid effort to wipe out tropical disease
Source: Chemical and Engineering News - March 1, 2013 Category: Chemistry Authors: Stu Borman Source Type: research

Halogenated Organic Molecules of Rhodomelaceae Origin: Chemistry and Biology
Chemical ReviewsDOI: 10.1021/cr9002215
Source: Chemical Reviews - March 1, 2013 Category: Chemistry Authors: Bin-Gui Wang, James B. Gloer, Nai-Yun Ji and Jian-Chun Zhao Source Type: research

Conformational Analysis and Parallel QM/MM X-ray Refinement of Protein Bound Anti-Alzheimer Drug Donepezil
Journal of Chemical Theory and ComputationDOI: 10.1021/ct300957x
Source: Journal of Chemical Theory and Computation - March 1, 2013 Category: Chemistry Authors: Zheng Fu, Xue Li, Yipu Miao and Kenneth M. Merz Source Type: research

Controlling Growth of Ultrasmall Sub-10 nm Fluorescent Mesoporous Silica Nanoparticles
Chemistry of MaterialsDOI: 10.1021/cm303242h
Source: Chemistry of Materials - March 1, 2013 Category: Materials Science Authors: Kai Ma, Ulrike Werner-Zwanziger, Josef Zwanziger and Ulrich Wiesner Source Type: research

Strategy to Target the Substrate Binding site of SET Domain Protein Methyltransferases
Journal of Chemical Information and ModelingDOI: 10.1021/ci300596x
Source: Journal of Chemical Information and Modeling - March 1, 2013 Category: Chemistry Authors: Kong T. Nguyen, Fengling Li, Gennadiy Poda, David Smil, Masoud Vedadi and Matthieu Schapira Source Type: research

Effect of Linear Elongation of PDMS-Supported Polyelectrolyte Multilayer Determined by Attenuated Total Reflectance IR Radiation
The Journal of Physical Chemistry BDOI: 10.1021/jp310727f
Source: Journal of Physical Chemistry B - March 1, 2013 Category: Chemistry Authors: Johannes Frueh, Gerald Reiter, Janos Keller, Helmuth Möhwald, Qiang He and Rumen Krastev Source Type: research

Correction to “Functionalization of Azide-Terminated Silicon Surfaces with Glycans Using Click Chemistry: XPS and FTIR Study”
The Journal of Physical Chemistry CDOI: 10.1021/jp401263p
Source: The Journal of Physical Chemistry C - March 1, 2013 Category: Chemistry Authors: A. C. Gouget-Laemmel, J. Yang, M. A. Lodhi, A. Siriwardena, D. Aureau, R. Boukherroub, J.-N. Chazalviel, F. Ozanam and S. Szunerits Source Type: research

Toward Silicon Metathesis
Organometallics: Chemists achieve key steps in quest for a silicon version of classic synthesis
Source: Chemical and Engineering News - March 1, 2013 Category: Chemistry Authors: Stephen K. Ritter Source Type: research

IUPAC-NIST Solubility Data Series. 98. Solubility of Polycyclic Aromatic Hydrocarbons in Pure and Organic Solvent Mixtures: Revised and Updated. Part 1. Binary Solvent Mixtures
William E. Acree, Jr. This work updates Vols. 54, 58, and 59 in the IUPAC Solubility Data Series and presents solubility data for polycyclic aromatic hydrocarbon solutes dissolved in binary organic solvent mixtures. Published solubility data for anthracene, naphthalene, phenanthrene, phenothiazine, and pyrene that appear ... [J. Phys. Chem. Ref. Data 42, 013103 (2013)] published Thu Feb 28, 2013.
Source: Journal of Physical and Chemical Reference Data - March 1, 2013 Category: Physics Source Type: research

IUPAC-NIST Solubility Data Series. 98. Solubility of Polycyclic Aromatic Hydrocarbons in Pure and Organic Solvent Mixtures: Revised and Updated. Part 2. Ternary Solvent Mixtures
William E. Acree, Jr. This work updates Vols. 54, 58, and 59 in the IUPAC Solubility Data Series and presents solubility data for polycyclic aromatic hydrocarbon solutes dissolved in ternary organic solvent mixtures. Published solubility data for anthracene, phenanthrene, and pyrene that appeared in the primary literatur ... [J. Phys. Chem. Ref. Data 42, 013104 (2013)] published Thu Feb 28, 2013.
Source: Journal of Physical and Chemical Reference Data - March 1, 2013 Category: Physics Source Type: research

IUPAC-NIST Solubility Data Series. 97. Solubility of Higher Acetylenes and Triple Bonded Derivatives
Peter G. T. Fogg and Adam Skrzecz Solubility of Ethyne in Liquids was published in 2001 as Vol. 76 of the IUPAC-NIST Solubility Data Series. The current work extends the coverage to the solubility in liquids of higher gaseous and liquid acetylenes and to derivatives that contain a triple carbon-carbon bond. Predictive methods for es ... [J. Phys. Chem. Ref. Data 42, 013102 (2013)] published Thu Feb 28, 2013.
Source: Journal of Physical and Chemical Reference Data - March 1, 2013 Category: Physics Source Type: research

Calculation of the transport properties of a dilute gas consisting of Lennard-Jones chains
Robert Hellmann, Nicolas Riesco, and Velisa Vesovic The transport properties in the dilute gas limit have been calculated by the classical-trajectory method for a gas consisting of chain-like molecules. The molecules were modelled as rigid chains consisting of spherical segments that interact through a combination of site-site Lennard-Jones 12-6 pote ... [J. Chem. Phys. 138, 084309 (2013)] published Thu Feb 28, 2013.
Source: Journal of Chemical Physics - March 1, 2013 Category: Physics Source Type: research

All-time dynamics of continuous-time random walks on complex networks
Hamid Teimouri and Anatoly B. Kolomeisky The concept of continuous-time random walks (CTRW) is a generalization of ordinary random walk models, and it is a powerful tool for investigating a broad spectrum of phenomena in natural, engineering, social, and economic sciences. Recently, several theoretical approaches have been developed that a ... [J. Chem. Phys. 138, 084110 (2013)] published Thu Feb 28, 2013.
Source: Journal of Chemical Physics - March 1, 2013 Category: Physics Source Type: research

Dynamics of the sub-Ohmic spin-boson model: A time-dependent variational study
Ning Wu, Liwei Duan, Xin Li, and Yang Zhao The Dirac-Frenkel time-dependent variation is employed to probe the dynamics of the zero temperature sub-Ohmic spin-boson model with strong friction utilizing the Davydov D ansatz. It is shown that initial conditions of the phonon bath have considerable influence on the dynamics. Counterintuitively, ... [J. Chem. Phys. 138, 084111 (2013)] published Thu Feb 28, 2013.
Source: Journal of Chemical Physics - March 1, 2013 Category: Physics Source Type: research

Minimum energy pathways via quantum Monte Carlo
S. Saccani, C. Filippi, and S. Moroni We perform quantum Monte Carlo (QMC) calculations to determine minimum energy pathways of simple chemical reactions, and compare the computed geometries and reaction barriers with those obtained with density functional theory (DFT) and quantum chemistry methods. We find that QMC performs in general ... [J. Chem. Phys. 138, 084109 (2013)] published Thu Feb 28, 2013.
Source: Journal of Chemical Physics - March 1, 2013 Category: Physics Source Type: research

Derivation of a true (t --> 0) quantum transition-state theory. I. Uniqueness and equivalence to ring-polymer molecular dynamics transition-state-theory
Timothy J. H. Hele and Stuart C. Althorpe Surprisingly, there exists a quantum flux-side time-correlation function which has a non-zero t --> 0 limit and thus yields a rigorous quantum generalization of classical transition-state theory (TST). In this Part I of two articles, we introduce the new time-correlation function and derive its t -- ... [J. Chem. Phys. 138, 084108 (2013)] published Thu Feb 28, 2013.
Source: Journal of Chemical Physics - March 1, 2013 Category: Physics Source Type: research

Dielectric controlled excited state relaxation pathways of a representative push-pull stilbene: A mechanistic study using femtosecond fluorescence up-conversion technique
Shahnawaz Rafiq and Pratik Sen Femtosecond fluorescence up-conversion technique was employed to reinvestigate the intriguing dependence of fluorescence quantum yield of trans-4-dimethylamino-4-nitrostilbene (DNS) on dielectric properties of the media. In polar solvents, such as methanol and acetonitrile, the two time components o ... [J. Chem. Phys. 138, 084308 (2013)] published Thu Feb 28, 2013.
Source: Journal of Chemical Physics - March 1, 2013 Category: Physics Source Type: research

The role of dimensionality in the decay of surface effects
Matthew G. Reuter, Nicholas M. Boffi, Mark A. Ratner, and Tamar Seideman We computationally investigate the decay of surface effects in one-, two-, and three-dimensional materials using two-band tight-binding models. These general models facilitate a direct comparison between materials of differing dimensionality, which reveals that material dimensionality (not material- ... [J. Chem. Phys. 138, 084707 (2013)] published Thu Feb 28, 2013.
Source: Journal of Chemical Physics - March 1, 2013 Category: Physics Source Type: research

Mathematical analysis of recent analytical approximations to the collapse of an empty spherical bubble
Paolo Amore and Francisco M. Fernandez We analyze the Rayleigh equation for the collapse of an empty bubble and provide an explanation for some recent analytical approximations to the model. We derive the form of the singularity at the second boundary point and discuss the convergence of the approximants. We also give a rigorous proof of ... [J. Chem. Phys. 138, 084511 (2013)] published Thu Feb 28, 2013.
Source: Journal of Chemical Physics - March 1, 2013 Category: Physics Source Type: research

Post-shock relaxation in crystalline nitromethane
Luis A. Rivera-Rivera, Thomas D. Sewell, and Donald L. Thompson Molecular dynamics simulations of shocked (100)-oriented crystalline nitromethane were carried out to determine the rates of relaxation behind the shock wave. The forces were described by the fully flexible non-reactive Sorescu-Rice-Thompson force field [D. C. Sorescu, B. M. Rice, and D. L. Thompson ... [J. Chem. Phys. 138, 084512 (2013)] published Thu Feb 28, 2013.
Source: Journal of Chemical Physics - March 1, 2013 Category: Physics Source Type: research

Thermal conductivity predictions of herringbone graphite nanofibers using molecular dynamics simulations
Masoud H. Khadem and Aaron P. Wemhoff Non-equilibrium molecular dynamics (NEMD) simulations are used to investigate the thermal conductivity of herringbone graphite nanofibers (GNFs) at room temperature by breaking down the axial and transverse conductivity values into intralayer and interlayer components. The optimized Tersoff potentia ... [J. Chem. Phys. 138, 084708 (2013)] published Thu Feb 28, 2013.
Source: Journal of Chemical Physics - March 1, 2013 Category: Physics Source Type: research

Solvation effects on like-charge attraction
We present results of molecular dynamics simulations of the electrostatic interaction between two parallel charged rods in the presence of divalent counterions. Such polyelectrolytes have been considered as a simple model for understanding electrostatic interactions in highly charged biomolecules su ... [J. Chem. Phys. 138, 084901 (2013)] published Thu Feb 28, 2013.
Source: Journal of Chemical Physics - March 1, 2013 Category: Physics Source Type: research

Determination of phase equilibria in confined systems by open pore cell Monte Carlo method
We present a modification of the molecular dynamics simulation method with a unit pore cell with imaginary gas phase [M. Miyahara, T. Yoshioka, and M. Okazaki, J. Chem. Phys. 106, 8124 (1997)] designed for determination of phase equilibria in nanopores. This new method is based on a Monte Carlo tech ... [J. Chem. Phys. 138, 084709 (2013)] published Thu Feb 28, 2013.
Source: Journal of Chemical Physics - March 1, 2013 Category: Physics Source Type: research

Translocation of short and long polymers through an interacting pore
F. Piguet and D. P. Foster We perform two-dimensional Langevin dynamics simulations of electric-field driven polymer translocation through an attractive nanopore. We investigate the effect of the location of the attractive region using different pore patterns. This is found to have an impact on both the translocation time as ... [J. Chem. Phys. 138, 084902 (2013)] published Thu Feb 28, 2013.
Source: Journal of Chemical Physics - March 1, 2013 Category: Physics Source Type: research

Temporal disconnectivity of the energy landscape in glassy systems
Nikolaos Lempesis, Georgios C. Boulougouris, and Doros N. Theodorou An alternative graphical representation of the potential energy landscape (PEL) has been developed and applied to a binary Lennard-Jones glassy system, providing insight into the unique topology of the system's potential energy hypersurface. With the help of this representation one is able to monito ... [J. Chem. Phys. 138, 12A545 (2013)] published Thu Feb 28, 2013.
Source: Journal of Chemical Physics - March 1, 2013 Category: Physics Source Type: research

Molecular field effect passivation: Quinhydrone/methanol treatment of n-Si(100)
Rotem Har-Lavan, Roy Schreiber, Omer Yaffe, and David Cahen The quinhydrone/methanol treatment has been reported to yield outstanding passivation of the H-terminated Si(100) surface. Here, we report on the mechanism of this process by comparing the resulting surface to that of freshly etched H-terminated Si, of Si with chemically grown oxide, and of Si treat ... [J. Appl. Phys. 113, 084909 (2013)] published Thu Feb 28, 2013.
Source: Journal of Applied Physics - March 1, 2013 Category: Physics Source Type: research