Scientific Reports Chemistry Table of Contents e-alert: 15 September 2015

If you are unable to see the message below, click here to view.

15 September 2015      • Visit Scientific Reports • Submit your manuscript to Scientific Reports     Welcome to your Table of Contents e-alert for Scientific Reports               Chemical Sciences               Adam-Gibbs model in the density scaling regime and its implications for the configurational entropy scaling ▶     Elżbieta Masiewicz, Andrzej Grzybowski, Katarzyna Grzybowska et al.     To solve a long-standing problem of condensed matter physics with determining a proper description of the thermodynamic evolution of the time scale of molecular dynamics near the …             Robust half-metallicity and topological aspects in two-dimensional Cu-TPyB ▶     Xiaoming Zhang, Mingwen Zhao     Half-metallicity due to the coexistence of metallic nature for one spin component and insulating nature for the other is a base of spintronics devices, but was only achieved in …             Stepwise substrate translocation mechanism revealed by free energy calculations of doxorubicin in the multidrug transporter AcrB ▶     Zhicheng Zuo, Beibei Wang, Jingwei Weng et al.     AcrB is the inner membrane transporter of the tripartite multidrug efflux pump AcrAB-TolC in E. coli, which poses a major obstacle to the treatment of bacterial infections. X-ray …             Secondary batteries with multivalent ions for energy storage ▶     Chengjun Xu, Yanyi Chen, Shan Shi et al.     The use of electricity generated from clean and renewable sources, such as water, wind, or sunlight, requires efficiently distributed electrical energy storage by high-power and …             In vitro and in vivo Evaluation of Synergism between Anti-Tubercular Spectinamides and Non-Classical Tuberculosis Antibiotics ▶     David F. Bruhn, Michael S. Scherman, Jiuyu Liu et al.     Spectinamides are new semi-synthetic spectinomycin derivatives with potent anti-tubercular activity. The reported synergism of the precursor spectinomycin with other antibiotics …             Tip-induced nanoreactor for silicate ▶     Ming Gao, Liran Ma, Yong Liang et al.     Nanoscale scientific issues have attracted an increasing amount of research interest due to their specific size-effect and novel structure-property. From macro to nano, materials …             Criteria for Applying the Lucas-Washburn Law ▶     Kewen Li, Danfeng Zhang, Huiyuan Bian et al.     Spontaneous imbibition happens in many natural and chemical engineering processes in which the mean advancing front usually follows Lucas-Washburn’s law. However it has been …             Magnetoresistance in the Spin-Orbit Kondo State of Elemental Bismuth ▶     Luis Craco, Stefano Leoni     Materials with strong spin-orbit coupling, which competes with other particle-particle interactions and external perturbations, offer a promising route to explore novel phases of …             Photoinduced Charge Transport in a BHJ Solar Cell Controlled by an External Electric Field ▶     Yongqing Li, Yanting Feng, Mengtao Sun     This study investigated theoretical photoinduced charge transport in a bulk heterojunction (BHJ) solar cell controlled by an external electric field. Our method for visualizing …             Adsorption of Uranyl ions on Amine-functionalization of MIL-101(Cr) Nanoparticles by a Facile Coordination-based Post-synthetic strategy and X-ray Absorption Spectroscopy Studies ▶     Jian-Yong Zhang, Na Zhang, Linjuan Zhang et al.     By a facile coordination-based post-synthetic strategy, the high surface area MIL-101(Cr) nanoparticles was functionallized by grafting amine group of ethylenediamine (ED) on …             Polymorphic transitions of diborane at sub- and near-megabar pressures ▶     Amin Torabi, Chitra Murli, Yang Song et al.     Recent theoretical investigations of high-pressure structures of diborane have yielded many intriguing predictions which have so far remained untested due to challenges of …             Graphene-Wrapped Anatase TiO2 Nanofibers as High-Rate and Long-Cycle-Life Anode Material for Sodium Ion Batteries ▶     Yeolmae Yeo, Ji-Won Jung, Kyusung Park et al.     Anatase TiO2 has been suggested as a potential sodium anode material, but the low electrical conductivity of TiO2 often limits the rate capability, resulting in poor …             Structural Characterization and Evaluation of the Antioxidant Activity of Phenolic Compounds from Astragalus taipaishanensis and Their Structure-Activity Relationship ▶     Wenjun Pu, Dongmei Wang, Dan Zhou     Eight phenolic compounds were isolated using bio-guided isolation and purified from the roots of Astragalus taipaishanensis Y. C. Ho et S. B. Ho (A. taipaishanensis) for the …             Production of Catalyst-Free Hyperpolarised Ethanol Aqueous Solution via Heterogeneous Hydrogenation with Parahydrogen ▶     Oleg G. Salnikov, Kirill V. Kovtunov, Igor V. Koptyug     An experimental approach for the production of catalyst-free hyperpolarised ethanol solution in water via heterogeneous hydrogenation of vinyl acetate with parahydrogen and the …             Manganese powder promoted highly efficient and selective synthesis of fullerene mono- and biscycloadducts at room temperature ▶     Weili Si, Xuan Zhang, Shirong Lu et al.     Discovery of an efficient, practical, and flexible synthetic method to produce various important electron acceptors for low-cost organic photovoltaics (OPVs) is highly desirable. …             Ice Regelation: Hydrogen-bond extraordinary recoverability and water quasisolid-phase-boundary dispersivity ▶     Xi Zhang, Yongli Huang, Peng Sun et al.     Regelation, i.e., ice melts under compression and freezes again when the pressure is relieved, remains puzzling since its discovery in 1850’s by Faraday. Here we show that …             High spectral specificity of local chemical components characterization with multichannel shift-excitation Raman spectroscopy ▶     Kun Chen, Tao Wu, Haoyun Wei et al.     Raman spectroscopy has emerged as a promising tool for its noninvasive and nondestructive characterization of local chemical structures. However, spectrally overlapping …             Insight on Tafel slopes from a microkinetic analysis of aqueous electrocatalysis for energy conversion ▶     Tatsuya Shinagawa, Angel T. Garcia-Esparza, Kazuhiro Takanabe     Microkinetic analyses of aqueous electrochemistry involving gaseous H2 or O2, i.e., hydrogen evolution reaction (HER), hydrogen oxidation reaction (HOR), oxygen reduction …             Structural and Thermodynamic Characteristics of Amyloidogenic Intermediates of β-2-Microglobulin ▶     Song-Ho Chong, Jooyeon Hong, Sulgi Lim et al.     β-2-microglobulin (β2m) self-aggregates to form amyloid fibril in renal patients taking long-term dialysis treatment. Despite the extensive structural and mutation studies …             Non-radiative relaxation of photoexcited chlorophylls: theoretical and experimental study ▶     William P. Bricker, Prathamesh M. Shenai, Avishek Ghosh et al.     Nonradiative relaxation of high-energy excited states to the lowest excited state in chlorophylls marks the first step in the process of photosynthesis. We perform ultrafast …                 Nature Publishing Group offers a free open access funding support service to enable authors to discover and apply for article processing charge funding available to them. Visit our website for further advice on the funding options available, and guidance in approaching funders and institutions, or email openaccess@nature.com for more information.          • Careers & Jobs           naturejobs.com Science jobs of the week       Postdoctoral Scientist     Medical Research Council            PhD Student Position     Otto-Von-Guericke University Magdeburg            Tenure Track Faculty Positions     University of Texas Health Science Center at San Antonio            Postdoctoral Fellowship     Johns Hopkins University            Postdoctoral Fellow     The University of Tennessee Health Science Center            Bioinformatics Officer     The Francis Crick Institute            Postdoctoral Associate     The Rockfeller University            Postdoctoral Fellow - Cancer Genetics     Wellcome Trust Sanger Institute            Executive Dean, School of Science     RMIT University            Research Scientist     Institute of Molecular Biology (IMB) Mainz          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. Keep up-to-date with the latest sector trends, vote in our reader poll and sign-up to receive the monthly Naturejobs newsletter.           • Scientific Reports events Directory featured events           natureevents directory featured events         Trends in Medicinal Chemistry     3rd December 2015 London, UK         Natureevents Directory is the premier resource for scientists looking for the latest scientific conferences, courses, meetings and symposia. Featured across Nature Publishing Group journals and centrally at natureevents.com it is an essential reference guide to scientific events worldwide.                 Your email address is in the Scientific Reports: Chemistry mailing list. You have been sent this Table of Contents Alert because you have opted in to receive it. You can change or discontinue your e-mail alerts at any time, by modifying your preferences on your nature.com account at: www.nature.com/nams/svc/myaccount (You will need to log in to be recognised as a nature.com registrant). For further technical assistance, please contact our registration department For other enquiries, please contact our customer feedback department Nature Publishing Group | One New York Plaza, Suite 4500 | New York | NY 10004-1562 | USA Nature Publishing Group's offices: Principal offices: London - New York - Tokyo Worldwide offices: Basingstoke - Boston - Buenos Aires - Delhi - Hong Kong - Madrid - Melbourne - Munich - Paris - San Francisco - Seoul - Washington DC Macmillan Publishers Limited is a company incorporated in England and Wales under company number 785998 and whose registered office is located at Brunel Road, Houndmills, Basingstoke, Hampshire RG21 6XS. © 2015 Nature Publishing Group, a division of Macmillan Publishers Limited. All Rights Reserved.