За рубежом

MILLIONS OF ZEOLITE MATERIALS COMPUTED

Porous crystalline aluminosilicates known as zeolites are used in various applications for their catalytic, sorption, and ion-exchange properties. Nearly 200 distinct zeolite structures have been synthesized, and the target list got a whole lot larger: a computational team led by Michael W. Deem of Rice University has now calculated the structures of 2.7 million more seolite-like materials, at least 300,000 of which should be thermodynamically accessible as aluminosilicate compounds (J. Phys. Chem. C, DOI: 10.1021/jp906984z). In addition to the structures, Deem and colleagues calculated properties such as energy and density distributions, stability compared with quartz, dielectric constants, and X-ray diffraction patterns. The results are available in a publicly accessible database so researchers can either identify unknown zeolite products or search for targets with desired properties. All of the known zeolites have a relatively low density compared with the full range of calculated materials, Deem notes, adding that the computed structures offer new possibilities ranging from ultra-low density materials to high-density materials for nontraditional applications, such as corrosion-resistant coatings.

This computed zeolite structure has pores surrounded by rings of 24 silicon atoms, creating possible storage areas for macromolecules

WWW.CEN-ONLINE.ORG
OCTOBER 26, 20009

KEY METAL-METHANE COMPLEX OBSERVED

A transition-metal-methane complex believed to mimic a key intermediate in the conversion of natural gas into liquid fuels has finally been observed (Science 2009, 326, 553). In the species, the electrons of a C–H bond serve as a donor ligand to the metal, an arrangement called a σ complex. Such σ complexes are well-known for H₂ and likely occur as intermediates in hydrogenation and hydrogenolysis reactions but have not been documented for methane in solution. A research team led by Maurice Brookhart of the university of North Carolina, Chapel Hill, protonated a Rh–CH₃ complex to yield a stable Rh–CH species. They characterized the complex by nuclear magnetic resonance spectroscopy and found a sharp resonance for the methane and protons, indicating that they are in very rapid exchange. The species is isoelectronic with a Pt(II) σ-methane complex that is believed to be an intermediate in Pt(II)-mediated methane oxidation reactions. The σ-methane complex “furnishes details about the weak interaction of methane with a transition-metal center before C–H bond scission,” the authors write.

WWW.CEN-ONLINE.ORG
OCTOBER 26, 20009

НАИБОЛЕЕ ЯРКИЕ СТАТЬИ

The discovery and validation of colorectal cancer biomarkers
Biomedical Chromatography
Ching-Seng Ang, Jason Phung, Edouard C. Nice

Lipidomics era: Accomplishments and challenges
Mass Spectrometry Reviews
Maroun Bou Khalil et al

MassBank: a public repository for sharing mass spectral data for life sciences
Journal of Mass Spectrometry
Hisayuki Horai et al

Upconversion: road to El Dorado of the fluorescence world
Luminescence
Li Ching Ong, Muthu Kumara Gnanasammandhan, Sounderya Nagarajan, Yong Zhang

Drug metabolism in the horse: a review
Drug Testing and Analysis
James P. Scarth, Phil Teale, Tiia Kuuranne

Recent advances in linear and nonlinear Raman spectroscopy. Part IV
Journal of Raman Spectroscopy
Laurence A Nafie

Sample preparation for plant metabolomics
Phytochemical Analysis
Hye Kyong Kim, Rob Verpoorte

Multimodality imaging techniques
Contrast Media & Molecular Imaging
Luis Martí-Bonmatí, Ramón Sopena, Paula Bartumeus, Pablo Sopena

The evolution of partial least squares models and related chemometric approaches in metabonomics and metabolic phenotyping
Journal of Chemometrics
Judith M. Fonville et al

First-principles calculation of parameters of electron paramagnetic resonance spectroscopy in solids
Magnetic Resonance in Chemistry
Eugene S. Kadantsev, Tom Ziegler

Twenty five pitfalls in the analysis of diffusion MRI data
NMR in Biomedicine
Derek K. Jones, Mara Cercignani

Effect of mobile phase pH, aqueous organic ratio, and buffer concentration on electrospray ionization tandem mass spectrometric fragmentation patterns: implications in liquid chromatography/tandem mass spectrometric bioanalysis
Rapid Communications in Mass Spectrometry
Jian Wang et al

Special Issue: European Conference on X-Ray Spectrometry, 20–25 June 2010, Figueira da Foz, Coimbra, Portugal
X-Ray Spectrometry

Review article: FRET microscopy: from principle to routine technology in cell biology
Journal of Microscopy
A. Pietraszewska-Bogiel, T.W.J. Gadella

Quick Screening of Crystal Methamphetamine/Methyl Sulfone Exhibits by Raman Spectroscopy
Journal of Forensic Sciences
Robert G. Weston

Electroanalytical Applications of Metallic Nanoparticles and Supramolecular Nanostructures
Electroanalysis
Itamar Willner, Bilha Willner, Ran Tel-Vered

Ionic liquid stationary phases for gas chromatography
Journal of Separation Science
Colin F. Poole and Salwa K. Poole

Recent advances in the MS analysis of glycoproteins: Theoretical considerations
ELECTROPHORESIS
Iulia M. Lazar, Alexandru C. Lazar, Diego F. Cortes, Jarod L. Kabulski

Targeted large-scale analysis of protein acetylation
PROTEOMICS
Nikolai Mischerikow and Albert J. R. Heck

CE-MS in biomarker discovery, validation, and clinical application
PROTEOMICS: Clinical Applications
Harald Mischak and Joost P. Schanstra

Optical Probes of Charge Generation and Recombination in Bulk Heterojunction Organic Solar Cells
Macromolecular Chemistry and Physics
Ian A. Howard, Frédéric Laquai

π -Conjugated Donor and Donor–Acceptor Metallo-Polymers
Macromolecular Rapid Communications
Andreas Wild, Florian Schlütter, Georges M. Pavlov , Christian Friebe, Grit Festag, Andreas Winter, Martin D. Hager, Vera Cimrová,
Ulrich S. Schubert

Injectable Biodegradable Hydrogels
Macromolecular Bioscience
Minh Khanh Nguyen, Doo Sung Le

Extrusion Processing and Properties of Protein-Based Thermoplastics
Macromolecular Materials and Engineering
Casparus J. R. Verbeek, Lisa E. van den Berg

Development of Entanglements in a Fully Disentangled Polymer Melt
Macromolecular Theory and Simulations
Thomas Vettorel, Kurt Kremer

Controlled Radical Polymerization: Industrial Stakes, Obstacles and Achievements
Macromolecular Reaction Engineering
Mathias Destarac

Fabrication, Assembly, and Application of Patchy Particles
Macromolecular Rapid Communications
Amar B. Pawar, Ilona Kretzschmar

Biomimetic Principles in Polymer and Material Science
Macromolecular Chemistry and Physics
Markus Antonietti, Peter Fratzl

ChemPhysChem

Direct Evidence of Coexisting Horseshoe and Extended Helix Conformations of Membrane-Bound Alpha-Synuclein
Marta Robotta, Patrick Braun, Bart van Rooijen, Vinod Subramaniam,
Martina Huber, Malte Drescher

DNA Molecular Solvation in Neat Ionic Liquids
Lena Cardoso, Nuno M. Micaelo

Thermodynamic Methods and Models to Study Flexible Metal–Organic Frameworks
François-Xavier Coudert, Anne Boutin, Marie Jeffroy, Caroline Mellot-Draznieks, Alain H. Fuchs

Angewandte Chemie IE

Selective Pulsed Heating for the Synthesis of Semiconductor and Metal Submicrometer Spheres
Hani Amouri, Jamal Moussa, Anna K. Renfrew, Paul J. Dyson,
Marie Noelle Rager and Lise-Marie Chamoreau

Theoretical Messenger Spectroscopy of Microsolvated Hydronium and Zundel Cations
Marcel Baer, Dominik Marx and Gerald Mathias

Direct Evidence of a Surface Quenching Effect on Size-Dependent Luminescence of Upconversion Nanoparticles
Xiaogang Liu

Chemistry – A European Journal

Unexpected Deformations Induced by Surface Interaction and Chiral Self-Assembly of Co^II-Tetraphenylporphyrin (Co-TPP) Adsorbed on Cu(110): A Combined STM and Periodic DFT Study
Philip Donovan, Abel Robin, Matthew S. Dyer, Mats Persson, Rasmita Raval

Kinetic Isotope Effects in Asymmetric Reactions
Thomas Giagou and Matthew P. Meyer

Nanographite Impurities Dominate Electrochemistry of Carbon Nanotubesa
Adriano Ambrosi, Martin Pumera

Chemistry – An Asian Journal

Sugar-Decorated Dendritic Nanocarriers: Encapsulation and Release of the Octahedral Rhenium Cluster Complex [Re₆S₈(OH)₆]^4-
Manja Kubeil, Holger Stephan, Hans-Jürgen Pietzsch, Gerhard Geipel, Dietmar Appelhans, Brigitte Voit, Jan Hoffmann, Bernhard Brutschy, Yuri V. Mironov, Konstantin A. Brylev, Vladimir E. Fedorov

Light-Switchable Janus [2]Rotaxanes Based on α-Cyclodextrin Derivatives Bearing Two Recognition Sites Linked with Oligo(ethylene glycol)
Shujing Li, Daisuke Taura, Akihito Hashidzume, Akira Harada

Electroanalysis

A Comparative Study of Electrochemical Reduction of 4-Nitrophenyl Covalently Grafted on Gold and Carbon
Alicia L. Gui, Guozhen Liu, Muthukumar Chockalingam, Guillaume Le Saux, Erwann Luais, Jason B. Harper, J. Justin Gooding

Textile-based Electrochemical Sensing: Effect of Fabric Substrate and Detection of Nitroaromatic Explosives
Min-Chieh Chuang, Joshua Ray Windmiller, Padmanabhan Santhosh, Gabriela Valdés Ramírez, Michal Galik, Tzu-Yang Chou, Joseph Wang

Additive Differential Pulse Voltammetry for the Study of Slow Charge Transfer Processes at Spherical Electrodes
Eduardo Laborda, Emma I. Rogers, Francisco Martínez-Ortiz, Ángela Molina, Richard G. Compton

Surface and Interface Analysis

Effect of heat treatment on the properties and structure of TiO₂ nanotubes: phase composition and chemical composition
D. Regonini, A. Jaroenworaluck, R. Stevens, C.R. Bowen

A facial approach to fabricate superhydrophobic aluminum surface
Zhijun Chen, Yabing Guo, Shaoming Fang

Journal of Physical Organic Chemistry

Effect of substituent groups of porphyrins on the electroluminescent properties of porphyrin-doped OLED devices
Lin-Jian Zhu, Jian Wang, Tie-Gang Reng, Chun-Yan Li, Dong-Cai Guo, Can-Cheng Guo

Forever young: polycyclic aromatic hydrocarbons as model cases for structural and optical studies
R. Rieger, K. Müllen

ChemSusChem

Environmental Implications of the Surfactant Effect on the Photochemistry of (Substituted) 4-Chlorophenols in Water
Veronica Canevari, Maurizio Fagnoni, Pietro Bortolus and Angelo Albini

Nanosizing and Nanoconfinement: New Strategies Towards Meeting Hydrogen Storage Goals
Petra E. de Jongh and Philipp Adelhelm

Differentiation of Bulk and Surface Contribution to Supercapacitance in Amorphous and Crystalline NiO
Qi Lu, Zachary J. Mellinger, Weigang Wang, Wanfeng Li, Yunpeng Chen, Jiangguang G. Chen and John Q. Xiao

Macromolecular Chemistry and Physics

Electrochemical Surface Plasmon Resonance and Field-Enhanced Light Scattering: Monomer Copolymerization with a Polysiloxane-Conjugated Polythiophene Network Precursor
Akira Baba, Chuanjun Xia, Wolfgang Knoll, Rigoberto C. Advincula

Contemporary Mass Spectrometry and the Analysis of Synthetic Polymers: Trends, Techniques and Untapped Potential
Gene Hart-Smith, Christopher Barner-Kowollik

Fuel Cells

Supercapacitors Technical Requirements for New Applications
M. Conte

Pseudocapacitance Effects for Enhancement of Capacitor Performance
G. Lota, E. Frackowiak

Propellants, Explosives, Pyrotechnics

Knudsen Effusion Measurement of Organic Peroxide Vapor Pressures
Paul L. Damour, Andrew Freedman, Joda Wormhoudt

Maxwell Fluid Model for Generation of Stress–Strain Curves of Viscoelastic Solid Rocket Propellants
H. Shekhar, A. D. Sahasrabudhe

Advanced Functional Materials

Synthesis of Magnetic, Up-Conversion Luminescent, and Mesoporous Core-Shell-Structured Nanocomposites as Drug Carriers
Shili Gai, Piaoping Yang, Chunxia Li, Wenxin Wang, Yunlu Dai, Na Niu,
Jun Lin

Solar Cells by Design: Photoelectrochemistry of TiO₂ Nanorod Arrays Decorated with CdSe
Jin Ho Bang, Prashant V. Kamat

Chinese Journal of Chemistry

Effect of Combustion Improver on Combustion Behavior of Cigarette Paper by Simultaneous TG/DSC Detection
Huirong Li, Yi Liu, Dan Li, Bin Cai, Yikun Chen, Zhangang Cheng

Small

Fluorographene: A Two-Dimensional Counterpart of Teflon
Rahul R. Nair, Wencai Ren, Rashid Jalil, Ibtsam Riaz, Vasyl G. Kravets, Liam Britnell, Peter Blake, Fredrik Schedin, Alexander S. Mayorov, Shengjun Yuan, Mikhail I. Katsnelson, Hui-Ming Cheng, Wlodek Strupinski, Lyubov G. Bulusheva, Alexander V. Okotrub, Irina V. Grigorieva, Alexander N. Grigorenko, Kostya S. Novoselov, Andre K. Geim

Mechanobiology: Correlation Between Mechanical Stability of Microcapsules Studied by AFM and Impact of Cell-Induced Stresses
Mihaela Delcea, Stephan Schmidt, Raghavendra Palankar, Paulo Fernandes, Andreas Fery, Helmuth Möhwald, André Skirtach

Israel Journal of Chemistry

Electrochemistry of Single Nanoparticles via Electrocatalytic Amplification
Allen J. Bard, Hongjun Zhou, Seong Jung Kwon