Scientific Reports Chemistry Table of Contents e-alert: 17 January 2017

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17 January 2017      • Visit Scientific Reports • Submit your manuscript to Scientific Reports     Welcome to your Table of Contents e-alert for Scientific Reports       Chemical Sciences               Low Temperature CO oxidation over Iron Oxide Nanoparticles Decorating Internal Structures of a Mesoporous Alumina ▶     Il Hee Kim, Hyun Ook Seo, Eun Ji Park et al.     Using a chemical vapor deposition method with regulated sample temperatures under ambient pressure conditions, we were able to fully decorate the internal structure of a …             On-line Ammonia Sensor and Invisible Security Ink by Fluorescent Zwitterionic Spirocyclic Meisenheimer Complex ▶     Tanmay Das, Apurba Pramanik, Debasish Haldar     Ammonia is not only a highly important gas for civilization but also contribute significantly for climate change and human health hazard. Highly sensitive ammonia sensor has been …             Simple, Efficient and Controllable Synthesis of Iodo/Di-iodoarenes via Ipsoiododecarboxylation/Consecutive Iodination Strategy ▶     Yun Yang, Lijuan Zhang, Guo-Jun Deng et al.     A practical, efficient, and operationally simple strategy for the ipsoiododecarboxylation and di-iodination of aromatic carboxylic acids using the low-cost commercial reagent …             Unraveling the enhanced Oxygen Vacancy Formation in Complex Oxides during Annealing and Growth ▶     Felix V. E. Hensling, Chencheng Xu, Felix Gunkel et al.     The reduction of oxides during annealing and growth in low pressure processes is a widely known problem. We hence investigate the influence of mere annealing and of growth in …             Spatio-temporal coordination among functional residues in protein ▶     Sutapa Dutta, Mahua Ghosh, J. Chakrabarti     The microscopic basis of communication among the functional sites in bio-macromolecules is a fundamental challenge in uncovering their functions. We study the communication …             Chemical Isotope Labeling LC-MS for Monitoring Disease Progression and Treatment in Animal Models: Plasma Metabolomics Study of Osteoarthritis Rat Model ▶     Deying Chen, Xiaoling Su, Nan Wang et al.     We report a chemical isotope labeling (CIL) liquid chromatography mass spectrometry (LC-MS) method generally applicable for tracking metabolomic changes from samples collected in …             Sialic Acid-Responsive Polymeric Interface Material: From Molecular Recognition to Macroscopic Property Switching ▶     Yuting Xiong, Ge Jiang, Minmin Li et al.     Biological systems that utilize multiple weak non-covalent interactions and hierarchical assemblies to achieve various bio-functions bring much inspiration for the design of …             Selective and Catalyst-free Oxidation of D-Glucose to D-Glucuronic acid induced by High-Frequency Ultrasound ▶     Prince N. Amaniampong, Ayman Karam, Quang Thang Trinh et al.     This systematic experimental investigation reveals that high-frequency ultrasound irradiation (550 kHz) induced oxidation of D-glucose to glucuronic acid in excellent yield …             Electronic Excitation Dynamics in Liquid Water under Proton Irradiation ▶     Kyle G. Reeves, Yosuke Kanai     Molecular behaviour of liquid water under proton irradiation is of great importance to a number of technological and medical applications. The highly energetic proton generates a …             Hole Transport in A-form DNA/RNA Hybrid Duplexes ▶     Jiun Ru Wong, Fangwei Shao     DNA/RNA hybrid duplexes are prevalent in many cellular functions and are an attractive target form for electrochemical biosensing and electric nanodevice. However the electronic …             Strain Gradient Modulated Exciton Evolution and Emission in ZnO Fibers ▶     Bin Wei, Yuan Ji, Raynald Gauvin et al.     One-dimensional semiconductor can undergo large deformation including stretching and bending. This homogeneous strain and strain gradient are an easy and effective way to tune …             Substrate-dependent electronic structure and film formation of MAPbI3 perovskites ▶     Selina Olthof, Klaus Meerholz     We present investigations on the interface formation between the hybrid perovskite MAPbI3 and various substrates, covering a wide range of work functions. The perovskite films …             Highly Stable Glassy Carbon Interfaces for Long-Term Neural Stimulation and Low-Noise Recording of Brain Activity ▶     Maria Vomero, Elisa Castagnola, Francesca Ciarpella et al.     We report on the superior electrochemical properties, in-vivo performance and long term stability under electrical stimulation of a new electrode material fabricated from …             Facile synthesis, microstructure and photophysical properties of core-shell nanostructured (SiCN)/BN nanocomposites ▶     Qian Zhang, Dechang Jia, Zhihua Yang et al.     Increasing structural complexity at nanoscale can permit superior control over photophysical properties in the precursor-derived semiconductors. We demonstrate here the synthesis …             Molecular dynamics studies unravel role of conserved residues responsible for movement of ions into active site of DHBPS ▶     Ranajit Nivrutti Shinde, Subramanian Karthikeyan, Balvinder Singh     3,4-dihydroxy-2-butanone-4-phosphate synthase (DHBPS) catalyzes the conversion of D-ribulose 5-phosphate (Ru5P) to L-3,4-dihydroxy-2-butanone-4-phosphate in the presence of Mg2+. …             New experimental evidence to support roaming in the reaction Cl + isobutene (i-C4H8) ▶     Li-Wei Chen, Ching-Ming Hung, Hiroyuki Matsui et al.     The reaction Cl + isobutene (i-C4H8) was reported by Suits et al. to proceed via, in addition to abstraction, an addition-elimination path following a roaming excursion of Cl; a …             Predicting drug-target interactions by dual-network integrated logistic matrix factorization ▶     Ming Hao, Stephen H. Bryant, Yanli Wang     In this work, we propose a dual-network integrated logistic matrix factorization (DNILMF) algorithm to predict potential drug-target interactions (DTI). The prediction procedure …             Growth and Morbidity of Gambian Infants are Influenced by Maternal Milk Oligosaccharides and Infant Gut Microbiota ▶     Jasmine C. C. Davis, Zachery T. Lewis, Sridevi Krishnan et al.     Human milk oligosaccharides (HMOs) play an important role in the health of an infant as substrate for beneficial gut bacteria. Little is known about the effects of HMO …             Mechanism, reactivity, and regioselectivity in rhodium-catalyzed asymmetric ring-opening reactions of oxabicyclic alkenes: a DFT Investigation ▶     Zheng-Hang Qi, Yi Zhang, Yun Gao et al.     The origin of the enantio- and regioselectivity of ring-opening reaction of oxabicyclic alkenes catalyzed by rhodium/Josiphos has been examined using M06-2X density functional …             Microwave-synthesized freestanding iron-carbon nanotubes on polyester composites of woven Kevlar fibre and silver nanoparticle-decorated graphene ▶     Ankita Hazarika, Biplab K. Deka, DoYoung Kim et al.     We synthesized Ag nanoparticle-decorated multilayered graphene nanosheets (Ag-graphene) from graphite nanoplatelets and silver nitrate through 90–100 s of microwave exposure, …             Insights into an evolutionary strategy leading to antibiotic resistance ▶     Chun-Feng D. Hou, Jian-wei Liu, Charles Collyer et al.     Metallo-β-lactamases (MBLs) with activity towards a broad-spectrum of β-lactam antibiotics have become a major threat to public health, not least due to their ability to rapidly …             Understanding the molecular mechanism for the differential inhibitory activities of compounds against MTH1 ▶     Mian Wang, Shuilian Zhou, Qing Chen et al.     MTH1 can hydrolyze oxidized nucleotides and is required for cancer survival. The IC50 values were 0.8 nM for TH287 with a methyl substitution, 5.0 nM for TH588 with a cyclopropyl …             Nitrogen-doped porous carbon monoliths from polyacrylonitrile (PAN) and carbon nanotubes as electrodes for supercapacitors ▶     Yanqing Wang, Bunshi Fugetsu, Zhipeng Wang et al.     Nitrogen-doped porous activated carbon monoliths (NDP-ACMs) have long been the most desirable materials for supercapacitors. Unique to the conventional template based Lewis …             Covalent modification of pericardial patches for sustained rapamycin delivery inhibits venous neointimal hyperplasia ▶     Hualong Bai, Jung Seok Lee, Elizabeth Chen et al.     Prosthetic grafts and patches are commonly used in cardiovascular surgery, however neointimal hyperplasia remains a significant concern, especially under low flow conditions. We …             Ion irradiation induced structural modifications and increase in elastic modulus of silica based thin films ▶     S. A. Shojaee, Y. Qi, Y. Q. Wang et al.     Ion irradiation is an alternative to heat treatment for transforming organic-inorganic thin films to a ceramic state. One major shortcoming in previous studies of ion-irradiated …             Quantum dynamics study of energy requirement on reactivity for the HBr + OH reaction with a negative-energy barrier ▶     Yuping Wang, Yida Li, Dunyou Wang     A time-dependent, quantum reaction dynamics approach in full dimensional, six degrees of freedom was carried out to study the energy requirement on reactivity for the HBr + OH …             Structures, stabilities and spectral properties of borospherene B44− and metalloborospherenes MB440/− (M = Li, Na, and K) ▶     Shixiong Li, Zhengping Zhang, Zhengwen Long et al.     Density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations are carried out to study the stabilities, photoelectron, infrared, Raman and …             Photo-reduced Cu/CuO nanoclusters on TiO2 nanotube arrays as highly efficient and reusable catalyst ▶     Zhao Jin, Chang Liu, Kun Qi et al.     Non-noble metal nanoparticles are becoming more and more important in catalysis recently. Cu/CuO nanoclusters on highly ordered TiO2 nanotube arrays are successfully developed by …             Spatial mapping of metals in tissue-sections using combination of mass-spectrometry and histology through image registration ▶     Jiri Anyz, Lenka Vyslouzilova, Tomas Vaculovic et al.     We describe a new procedure for the parallel mapping of selected metals in histologically characterized tissue samples. Mapping is achieved via image registration of digital data …               • Careers & Jobs           naturejobs.com Science jobs of the week       Faculty Position in Microbiome Research     National University of Singapore, Dept of Microbiology and Immunology            Chair Professor (Tenure), Institute of Science and Technology for Brain-Inspired Intelligence(ISTBI)     Fudan University            Assistant, Associate or Full Professor - Materials Science and Engineering     Clemson University            Teacher position-Nanjing Institute of Technology     Nanjing Institute of Technology             Full-Time Faculty Position Open     National Chung Hsing University            Professor / Associate Professor / Assistant Professor in The School of Science and Engineering     The Chinese University of Hong Kong, Shenzhen            Director, Institute for Quantum Computing     University of Waterloo - Institute for Quantum Computing            Research Scientist - Plant Pathology     Vineland Research and Innovation Centre            Postdoc / Bioinformatician     German Cancer Research Center (DKFZ).            Assistant / Associate Professor     Wright State University, Dept. of Neuroscience, Cell Biology and Physiology          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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