Scientific Reports Chemistry Table of Contents e-alert: 31 May 2016

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31 May 2016      • Visit Scientific Reports • Submit your manuscript to Scientific Reports     Welcome to your Table of Contents e-alert for Scientific Reports               Chemical Sciences               High-fidelity spherical cholesteric liquid crystal Bragg reflectors generating unclonable patterns for secure authentication ▶     Yong Geng, JungHyun Noh, Irena Drevensek-Olenik et al.     Monodisperse cholesteric liquid crystal microspheres exhibit spherically symmetric Bragg reflection, generating, via photonic cross communication, dynamically tuneable …             Automatic Combination of Microfluidic Nanoliter-Scale Droplet Array with High-Speed Capillary Electrophoresis ▶     Q. Li, Y. Zhu, N.-Q. Zhang et al.     In this paper, we developed a novel approach for interfacing a microfluidic two-dimensional droplet array to a high-speed capillary electrophoresis (HSCE) system. Picoliter-scale …             Exploring the Inhibitory Mechanism of Approved Selective Norepinephrine Reuptake Inhibitors and Reboxetine Enantiomers by Molecular Dynamics Study ▶     Guoxun Zheng, Weiwei Xue, Panpan Wang et al.     Selective norepinephrine reuptake inhibitors (sNRIs) provide an effective class of approved antipsychotics, whose inhibitory mechanism could facilitate the discovery of …             Microfluidic EDGE emulsification: the importance of interface interactions on droplet formation and pressure stability ▶     Sami Sahin, Olesya Bliznyuk, Ana Rovalino Cordova et al.     The fact that interactions of components with interfaces can influence processes is well-known; e.g. deposit accumulation on heat exchangers and membrane fouling lead to …             CuO-Decorated ZnO Hierarchical Nanostructures as Efficient and Established Sensing Materials for H2S Gas Sensors ▶     Nguyen Minh Vuong, Nguyen Duc Chinh, Bui The Huy et al.     Highly sensitive hydrogen sulfide (H2S) gas sensors were developed from CuO-decorated ZnO semiconducting hierarchical nanostructures. The ZnO hierarchical nanostructure was …             Large-Scale Production of Large-Size Atomically Thin Semiconducting Molybdenum Dichalcogenide Sheets in Water and Its Application for Supercapacitor ▶     Yu-Xiang Chen, Chien-Wei Wu, Ting-Yang Kuo et al.     To progress from laboratory research to commercial applications, it is necessary to develop an effective method to prepare large quantities and high-quality of the large-size …             Structural characterization of CYP144A1 – a cytochrome P450 enzyme expressed from alternative transcripts in Mycobacterium tuberculosis ▶     Jude Chenge, Madeline E. Kavanagh, Max D. Driscoll et al.     Mycobacterium tuberculosis (Mtb) causes the disease tuberculosis (TB). The virulent Mtb H37Rv strain encodes 20 cytochrome P450 (CYP) enzymes, many of which are implicated in Mtb …             Intersystem crossing-branched excited-state intramolecular proton transfer for o-nitrophenol: An ab initio on-the-fly nonadiabatic molecular dynamic simulation ▶     Chao Xu, Le Yu, Chaoyuan Zhu et al.     The 6SA-CASSCF(10, 10)/6-31G (d, p) quantum chemistry method has been applied to perform on-the-fly trajectory surface hopping simulation with global switching algorithm and to …             Selective Chemical Conversion of Sugars in Aqueous Solutions without Alkali to Lactic Acid Over a Zn-Sn-Beta Lewis Acid-Base Catalyst ▶     Wenjie Dong, Zheng Shen, Boyu Peng et al.     Lactic acid is an important platform molecule in the synthesis of a wide range of chemicals. However, in aqueous solutions without alkali, its efficient preparation via the …             Metallic glassy Zr70Ni20Pd10 powders for improving the hydrogenation/dehydrogenation behavior of MgH2 ▶     M. Sherif El-Eskandarany     Because of its low density, storage of hydrogen in the gaseous and liquids states possess technical and economic challenges. One practical solution for utilizing hydrogen in …             Resolving metal-molecule interfaces at single-molecule junctions ▶     Yuki Komoto, Shintaro Fujii, Hisao Nakamura et al.     Electronic and structural detail at the electrode-molecule interface have a significant influence on charge transport across molecular junctions. Despite the decisive role of the …             Identification of Leishmania donovani Topoisomerase 1 inhibitors via intuitive scaffold hopping and bioisosteric modification of known Top 1 inhibitors ▶     Rajinikanth Mamidala, Papiya Majumdar, Kunal Kumar Jha et al.     A library of arylidenefuropyridinediones was discovered as potent inhibitors of Leishmania donovani Topoisomerase 1 (LdTop1) where the active molecules displayed considerable …             Suppression of X-ray-induced dissociation of H2O molecules in dense ice under pressure ▶     Hiroshi Fukui, Nozomu Hiraoka, Naohisa Hirao et al.     We investigated molecular dissociation induced by 10-keV X-ray irradiation in dense ice at pressures up to 40 GPa at 300 K. The dissociation yield estimated from the oxygen K…             HPTLC-aptastaining – Innovative protein detection system for high-performance thin-layer chromatography ▶     Lena Morschheuser, Hauke Wessels, Christina Pille et al.     Protein analysis using high-performance thin-layer chromatography (HPTLC) is not commonly used but can complement traditional electrophoretic and mass spectrometric approaches in …             Synthesis of Reduced Graphene Oxide-Modified LiMn0.75Fe0.25PO4 Microspheres by Salt-Assisted Spray Drying for High-Performance Lithium-Ion Batteries ▶     Myeong-Seong Kim, Hyun-Kyung Kim, Suk-Woo Lee et al.     Microsized, spherical, three-dimensional (3D) graphene-based composites as electrode materials exhibit improved tap density and electrochemical properties. In this study, we …             Surfactant-assisted Nanocasting Route for Synthesis of Highly Ordered Mesoporous Graphitic Carbon and Its Application in CO2 Adsorption ▶     Yangang Wang, Xia Bai, Fei Wang et al.     Highly ordered mesoporous graphitic carbon was synthesized from a simple surfactant-assisted nanocasting route, in which ordered mesoporous silica SBA-15 maintaining its triblock …             QSAR Accelerated Discovery of Potent Ice Recrystallization Inhibitors ▶     Jennie G. Briard, Michael Fernandez, Phil De Luna et al.     Ice recrystallization is the main contributor to cell damage and death during the cryopreservation of cells and tissues. Over the past five years, many small carbohydrate-based …             Elucidating the Origin of the Attractive Force among Hydrophilic Macroions ▶     Zhuonan Liu, Tianbo Liu, Mesfin Tsige     Coarse-grained simulation approach is applied to provide a general understanding of various soluble, hydrophilic macroionic solutions, especially the strong attractions among the …             Integrated Microfluidic Isolation of Aptamers Using Electrophoretic Oligonucleotide Manipulation ▶     Jinho Kim, Timothy R. Olsen, Jing Zhu et al.     We present a microfluidic approach to integrated isolation of DNA aptamers via systematic evolution of ligands by exponential enrichment (SELEX). The approach employs a …             Unique 1D Co3O4 crystallized nanofibers with (220) oriented facets as high-performance lithium ion battery anode material ▶     Yanli Tan, Qiuming Gao, Zeyu Li et al.     A novel one-step hydrothermal and calcination strategy was developed to synthesize the unique 1D oriented Co3O4 crystal nanofibers with (220) facets on the carbon matrix derived …             Revisiting kinetic boundary conditions at the surface of fuel droplet hydrocarbons: An atomistic computational fluid dynamics simulation ▶     Rasoul Nasiri     The role of boundary conditions at the interface for both Boltzmann equation and the set of Navier-Stokes equations have been suggested to be important for studying of multiphase …             QwikMD — Integrative Molecular Dynamics Toolkit for Novices and Experts ▶     João V. Ribeiro, Rafael C. Bernardi, Till Rudack et al.     The proper functioning of biomolecules in living cells requires them to assume particular structures and to undergo conformational changes. Both biomolecular structure and motion …             A Single-Level Tunnel Model to Account for Electrical Transport through Single Molecule- and Self-Assembled Monolayer-based Junctions ▶     Alvar R. Garrigues, Li Yuan, Lejia Wang et al.     We present a theoretical analysis aimed at understanding electrical conduction in molecular tunnel junctions. We focus on discussing the validity of coherent versus incoherent …             Novel chitosan/diclofenac coatings on medical grade stainless steel for hip replacement applications ▶     Matjaž Finšgar, Amra Perva Uzunalić, Janja Stergar et al.     Corrosion resistance, biocompatibility, improved osteointegration, as well the prevention of inflammation and pain are the most desired characteristics of hip replacement …                     • Careers & Jobs           naturejobs.com Science jobs of the week       Research Technician     Roskamp Institute            Research Associate (Assistant Professor)     University of Chicago            Associate Research Fellow     University of Exeter            Early Career Development Fellowships     Manchester Cancer Research Centre            Group Leaders     European Molecular Biology Laboratory (EMBL)            Postdoctoral Research Assistant     University of Dundee            Doctoral student positions     University of Oulu            Postdoctoral Training Fellow     Institute of Cancer Research (ICR)            Diabetes UK RD Lawrence Fellowships     Diabetes UK            Associate Research Scientist     Herbert Irving Comprehensive Cancer Center          No matter what your career stage, student, postdoc or senior scientist, you will find articles on naturejobs.com to help guide you in your science career. 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