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https://www.readbyqxmd.com/read/29155587/static-and-dynamic-electron-correlation-in-the-ligand-noninnocent-oxidation-of-nickel-dithiolates
#1
Anthony W Schlimgen, David A Mazziotti
Metal dithiolates have a wide range of applications from catalysis to molecular conductors with the ligands being the source of electrons during electrochemical oxidation in an effect known as ligand noninnocence. Recent large-scale variational two-electron reduced-density matrix (2-RDM) calculations of the vanadium oxo complex and manganese superoxide dismutase show that quantum entanglement stabilizes the addition of an electron to the ligands, providing a quantum mechanical explanation for ligand noninnocence...
November 20, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/29151151/long-term-treatment-of-diabetic-rats-with-vanadyl-sulfate-or-insulin-attenuate-acute-focal-cerebral-ischemia-reperfusion-injury-via-their-antiglycemic-effect
#2
Hossein Ahmadi-Eslamloo, Gholam Abbas Dehghani, Seyed Mostafa Shid Moosavi
It is well-known that patients with diabetes mellitus have worse clinical outcomes following acute ischemic stroke. The intensifying effects of diabetes on ischemic brain injury have been shown to be mostly due to hyperglycemia, rather than the lack of insulin direct effects on brain. It is also well-approved that vanadium compounds have insulin-like and anti-diabetic effects, and the present study was designed to compare the protective effects of diabetes treatment with vanadium or insulin on ischemic/reperfused brain injury...
November 19, 2017: Metabolic Brain Disease
https://www.readbyqxmd.com/read/29150881/genotoxicity-of-11-heavy-metals-detected-as-food-contaminants-in-two-human-cell-lines
#3
B Kopp, D Zalko, M Audebert
Heavy metals, such as arsenic (As), antimony (Sb), barium (Ba), cadmium (Cd), cobalt (Co), germanium (Ge), lead (Pb), nickel (Ni), tellurium (Te), and vanadium (V) are widely distributed in the environment and in the food chain. Human exposure to heavy metals through water and food has been reported by different international agencies. Although some of these heavy metals are essential elements for human growth and development, they may also be toxic at low concentrations due to indirect mechanisms. In this study, the genotoxic and cytotoxic properties of 15 different oxidation statuses of 11 different heavy metals were investigated using high-throughput screening (γH2AX assay) in two human cell lines (HepG2 and LS-174T) representative of target organs (liver and colon) for food contaminants...
November 18, 2017: Environmental and Molecular Mutagenesis
https://www.readbyqxmd.com/read/29148697/synthesis-of-hierarchical-sisal-like-v2o5-with-exposed-stable-001-facets-as-long-life-cathode-materials-for-advanced-lithium-ion-batteries
#4
Naiteng Wu, Wuzhou Du, Guilong Liu, Zhan Zhou, Hong-Ru Fu, Qianqian Tang, Xianming Liu, Yan-Bing He
Vanadium pentoxide (V2O5) is considered a promising cathode material for advanced lithium-ion batteries due to its high specific capacity and low cost. However, the application of V2O5-based electrodes has been hindered by their inferior conductivity, cycling stability and power performance. Herein, hierarchical sisal-like V2O5 microstructures consisting of primary one-dimension (1D) nanobelt with [001] facets orientation growth and rich oxygen vacancies are synthesized through a facile hydrothermal process using polyoxyethylene-20-cetyl-ether as surface control agent, and followed by calcination...
November 17, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/29146970/origin-of-the-unusually-strong-and-selective-binding-of-vanadium-by-polyamidoximes-in-seawater
#5
Alexander S Ivanov, Christina J Leggett, Bernard F Parker, Zhicheng Zhang, John Arnold, Sheng Dai, Carter W Abney, Vyacheslav S Bryantsev, Linfeng Rao
Amidoxime-functionalized polymeric adsorbents are the current state-of-the-art materials for collecting uranium (U) from seawater. However, marine tests show that vanadium (V) is preferentially extracted over U and many other cations. Herein, we report a complementary and comprehensive investigation integrating ab initio simulations with thermochemical titrations and XAFS spectroscopy to understand the unusually strong and selective binding of V by polyamidoximes. While the open-chain amidoxime functionalities do not bind V, the cyclic imide-dioxime group of the adsorbent forms a peculiar non-oxido V(5+) complex, exhibiting the highest stability constant value ever observed for the V(5+) species...
November 16, 2017: Nature Communications
https://www.readbyqxmd.com/read/29138910/metabolic-synergies-in-the-biotransformation-of-organic-and-metallic-toxic-compounds-by-a-saprotrophic-soil-fungus
#6
Andrea Ceci, Flavia Pinzari, Carmela Riccardi, Oriana Maggi, Lucia Pierro, Marco Petrangeli Papini, Geoffrey Michael Gadd, Anna Maria Persiani
The saprotrophic fungus Penicillium griseofulvum was chosen as model organism to study responses to a mixture of hexachlorocyclohexane (HCH) isomers (α-HCH, β-HCH, γ-HCH, δ-HCH) and potentially toxic metals (vanadium, lead) in solid and liquid media. The P. griseofulvum FBL 500 strain was isolated from polluted soil containing high concentrations of HCH isomers and potentially toxic elements (Pb, V). Experiments were performed in order to analyse the tolerance/resistance of this fungus to xenobiotics and to shed further light on fungal potential in inorganic and organic biotransformations...
November 14, 2017: Applied Microbiology and Biotechnology
https://www.readbyqxmd.com/read/29137736/non-innocent-probes-in-direct-sonication-metal-assistance-in-oxidative-radical-ch-functionalization
#7
Joachim Demaerel, Sebastian Govaerts, Rony Rajan Paul, Tom Van Gerven, Wim M De Borggraeve
Direct sonication by means of ultrasound horns constitutes a widely used technique in chemical process technology. However, the direct contact between the metal probe and the reaction mixture does not always leave the chemical system unaffected. In this report, we study the tert-butyl hydroperoxide-mediated trifluoromethylation of heterocyclic structures, and the influence of sonication thereon. Metal leaching is observed during the process and further examined, showing that several metals can interfere significantly with the chemical reaction under study...
March 2018: Ultrasonics Sonochemistry
https://www.readbyqxmd.com/read/29136903/multivariate-optimization-of-a-procedure-employing-microwave-assisted-digestion-for-the-determination-of-nickel-and-vanadium-in-crude-oil-by-icp-oes
#8
Shirlei L Dos Anjos, Jeferson C Alves, Sarah A Rocha Soares, Rennan G O Araujo, Olivia M C de Oliveira, Antonio F S Queiroz, Sergio L C Ferreira
This work presents the optimization of a sample preparation procedure using microwave-assisted digestion for the determination of nickel and vanadium in crude oil employing inductively coupled plasma optical emission spectrometry (ICP OES). The optimization step was performed utilizing a two-level full factorial design involving the following factors: concentrated nitric acid and hydrogen peroxide volumes, and microwave-assisted digestion temperature. Nickel and vanadium concentrations were used as responses...
February 1, 2018: Talanta
https://www.readbyqxmd.com/read/29136333/role-of-bismuth-in-the-electro-kinetics-of-silicon-photocathodes-for-solar-rechargeable-vanadium-redox-flow-batteries
#9
Cristina Flox, Sebastián Murcia-López, Nina M Carretero, Carles Ros, Juan Ramón Morante, Teresa Andreu
The ability of crystalline Si to photo-assist the V3+/V2+ cathodic reaction under simulated solar irradiation, combined with the effect of Bi have led to important electrochemical improvements. Besides the photo-voltage supplied by the photovoltaics, additional decrease in the onset potentials, high reversibility of the V3+/V2+ redox pair and improvement in the electro-kinetics have been attained thanks to the addition of Bi. In fact, Bi0 deposition has shown to slightly decrease the photocurrent, but the significant betterment in the charge transfer, reflected in the overall electrochemical performance clearly justifies its use as additive in a photo-assisted system for maximizing the efficiency of solar charge to battery...
November 14, 2017: ChemSusChem
https://www.readbyqxmd.com/read/29134998/2d-molybdenum-and-vanadium-nitrides-synthesized-by-ammoniation-of-2d-transition-metal-carbides-mxenes
#10
Patrick Urbankowski, Babak Anasori, Kanit Hantanasirisakul, Long Yang, Lihua Zhang, Bernard Haines, Steven J May, Simon J L Billinge, Yury Gogotsi
MXenes are a rapidly growing class of 2D transition metal carbides and nitrides, finding applications in fields ranging from energy storage to electromagnetic interference shielding and transparent conductive coatings. However, while more than 20 carbide MXenes have already been synthesized, Ti4N3 and Ti2N are the only nitride MXenes reported so far. Here by ammoniation of Mo2CTx and V2CTx MXenes at 600 °C, we report on their transformation to 2D metal nitrides. Carbon atoms in the precursor MXenes are replaced with N atoms, resulting from the decomposition of ammonia molecules...
November 14, 2017: Nanoscale
https://www.readbyqxmd.com/read/29131965/in-situ-visualization-of-fast-surface-ion-diffusion-in-vanadium-dioxide-nanowires
#11
Yasen Hou, Rui Xiao, Xin Tong, Scott Dhuey, Dong Yu
We investigate in situ ion diffusion in vanadium dioxide (VO2) nanowires (NWs) by using photocurrent imaging. Alkali metal ions are injected into a NW segment via ionic liquid gating and are shown to diffuse along the NW axis. The visualization of ion diffusion is realized by spatially resolved photocurrent measurements, which detect the charge carrier density change associated with the ion incorporation. Diffusion constants are determined to be on the order of 10(-10) cm(2)/s for both Li(+) and Na(+) ions at room temperature, while H(+) diffuses much slower...
November 15, 2017: Nano Letters
https://www.readbyqxmd.com/read/29131577/electronic-structure-reconfiguration-towards-pyrite-nis2-via-engineered-heteroatom-defect-boosting-overall-water-splitting
#12
Hengjie Liu, Qun He, Hongliang Jiang, Yunxiang Lin, Youkui Zhang, Muhammad Habib, Shuangming Chen, Li Song
Developing highly active and low-cost heterogeneous catalysts towards overall electrochemical water splitting is extremely desirable but still a challenge. Herein, we report pyrite NiS2 nanosheets doped with vanadium heteroatoms as bifunctional electrode materials for both hydrogen- and oxygen-evolution reaction (HER and OER). Notably, the electronic structure reconfiguration of pyrite NiS2 is observed from typical semiconductive characteristics to metallic characteristics by engineering vanadium (V) displacement defect, which is confirmed by both experimental temperature-dependent resistivity and theoretical density functional theory (DFT) calculations...
November 13, 2017: ACS Nano
https://www.readbyqxmd.com/read/29121602/environmental-exposure-to-metals-and-the-risk-of-hypertension-a-cross-sectional-study-in-china
#13
Weixiang Wu, Shunli Jiang, Qiang Zhao, Ke Zhang, Xiaoyun Wei, Tong Zhou, Dayang Liu, Hao Zhou, Qiang Zeng, Liming Cheng, Xiaoping Miao, Qing Lu
Metal pollution is a severe environmental issue in China, which has been recently linked with the risk of hypertension. However, relevant epidemiological studies are limited. The present exploratory study was conducted to assess the associations of environmental exposure to metals with the odds of hypertension as well as blood pressure (BP) levels using urine samples in a Chinese general population. From May 2016 to April 2017, a total of 823 eligible participants were consecutively enrolled in our study in Wuhan, China...
November 6, 2017: Environmental Pollution
https://www.readbyqxmd.com/read/29120071/effects-of-vanadium-supplementation-on-performance-some-plasma-metabolites-and-glucose-metabolism-in-mahabadi-goat-kids
#14
A Zarqami, M Ganjkhanlou, A Zali, K Rezayazdi, A R Jolazadeh
This experiment was conducted to investigate the effects of vanadium (V) supplementation on performance, some plasma metabolites (cholesterol and triglycerides) and glucose metabolism in Mahabadi goat kids. Twenty-eight male kids (15 ± 2 kg body weight) were fed for 14 weeks in a completely randomized design with four treatments. Treatments were supplemented with 0 (control), 1, 2, and 3 mg V as vanadyl sulfate/animal/daily. On day 70, an intravenous glucose tolerance test (IVGTT) was conducted. Dry matter intake did not change by V supplementation, but adding V quadraticaly improved feed efficiency (p = ...
November 9, 2017: Journal of Animal Physiology and Animal Nutrition
https://www.readbyqxmd.com/read/29119261/dna-and-hsa-interaction-of-vanadium-iv-copper-ii-and-zinc-ii-complexes-derived-from-an-asymmetric-bidentate-schiff-base-ligand-multi-spectroscopic-viscosity-measurements-molecular-docking-and-oniom-studies
#15
Monireh Dehkhodaei, Mehdi Sahihi, Hadi Amiri Rudbari, Fariborz Momenbeik
The interaction of three complexes [Zn(II), Cu(II), and V(IV)] derived from an asymmetric bidentate Schiff-base ligand with DNA and HSA was studied using fluorescence quenching, UV-Vis spectroscopy, viscosity measurements, and computational methods [molecular docking and our Own N-layered Integrated molecular Orbital and molecular Mechanics (ONIOM)]. The obtained results revealed that the DNA and HSA affinities for binding of the synthesized compounds follow as V(IV) > Zn(II) > Cu(II) and Zn(II) > V(IV) > Cu(II), respectively...
November 8, 2017: Journal of Biological Inorganic Chemistry: JBIC
https://www.readbyqxmd.com/read/29116788/vanadium-nmr-chemical-shifts-of-imido-vanadium-v-dichloride-complexes-with-imidazolin-2-iminato-and-imidazolidin-2-iminato-ligands-cooperation-with-quantum-chemical-calculations-and-multiple-linear-regression-analyses
#16
Jun Yi, Wenhong Yang, Wen-Hua Sun, Kotohiro Nomura, Masahiko Hada
The NMR chemical shifts of vanadium ((51)V) in (imido)vanadium(V) dichloride complexes with imidazolin-2-iminato and imidazolidin-2-iminato ligands were calculated by the density functional theory (DFT) method with GIAO. The calculated (51)V NMR chemical shifts were analyzed by the multiple linear regression (MLR) analysis (MLRA) method with a series of calculated molecular properties. Some of calculated NMR chemical shifts were incorrect using the optimized molecular geometries of the X-ray structures. After the global minimum geometries of all of the molecules were determined, the trend of the observed chemical shifts was well reproduced by the present DFT method...
November 17, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/29111747/constructing-ultrahigh-capacity-zinc-nickel-cobalt-oxide-ni-oh-2-core-shell-nanowire-arrays-for-high-performance-coaxial-fiber-shaped-asymmetric-supercapacitors
#17
Qichong Zhang, Weiwei Xu, Juan Sun, Zhenghui Pan, Jingxin Zhao, Xiaona Wang, Jun Zhang, Ping Man, Jiabin Guo, Zhenyu Zhou, Bing He, Zengxing Zhang, Qingwen Li, Yuegang Zhang, Lai Xu, Yagang Yao
Increased efforts have recently been devoted to developing high-energy-density flexible supercapacitors for their practical applications in portable and wearable electronics. Although high operating voltages have been achieved in fiber-shaped asymmetric supercapacitors (FASCs), low specific capacitance still restricts the further enhancement of their energy density. This article specifies a facile and cost-effective method to directly grow three-dimensionally well-aligned zinc-nickel-cobalt oxide (ZNCO)@Ni(OH)2 nanowire arrays (NWAs) on a carbon nanotube fiber (CNTF) with an ultrahigh specific capacitance of 2847...
November 10, 2017: Nano Letters
https://www.readbyqxmd.com/read/29101697/nickel-vanadium-and-lead-as-indicators-of-sediment-contamination-of-marina-refinery-and-shipyard-areas
#18
Thayane Lúcia Pereira, Mônica Wallner-Kersanach, Luiza Dy Fonseca Costa, Daniel Pereira Costa, Paulo Roberto Martins Baisch
Metallic elements found in the aquatic environment may originate in areas where petroleum is refined and vessels are maintained and repaired. This study aims to assess contamination caused by nickel (Ni), lead (Pb), and vanadium (V) in sediment of the Lagoa dos Patos estuary (RS, Brazil) and to evaluate them as indicators of areas under the influence of petroleum products and antifouling paints. Surface sediments were collected in summer and in winter in areas of marinas, shipyards, refinery, and a control station...
November 3, 2017: Environmental Science and Pollution Research International
https://www.readbyqxmd.com/read/29095603/the-polyoxovanadate-based-carboxylate-derivative-k6h-v-v-17v-iv-12-oh-4o60-ooc-ch2-4coo-8-%C3%A2-nh2o-synthesis-crystal-structure-and-catalysis-for-oxidation-of-sulfides
#19
Ke Wang, Yanjun Niu, Dongyan Zhao, Yanxin Zhao, Pengtao Ma, Dongdi Zhang, Jingping Wang, Jingyang Niu
The high-nuclearity polyoxovanadate-based carboxylate derivative K6H[V(V)17V(IV)12(OH)4O60(OOC(CH2)4COO)8]·nH2O (1) has been successfully synthesized by conventional aqueous methods and structurally characterized. The [V(V)17V(IV)12(OH)4O60(OOC(CH2)4COO)8](7-) polyanion is built up from three cages: one {V(V)17(OH)4O44} cage and two identical [(V(IV)3O6)2(OOC(CH2)4COO)4](8-) cages. Of the three cages, the {V(V)17(OH)4O44} is a purely inorganic polyoxovanadate cluster, whereas each of the [(V(IV)3O6)2(OOC(CH2)4COO)4](8-) cages is a vanadium-based organic-inorganic hybrid cluster framed via four adipate ligands linking simultaneously to two triangular {V3} units...
November 2, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/29094931/superconductivity-of-pressure-stabilized-vanadium-hydrides
#20
Xiaofeng Li, Feng Peng
The study of the high-temperature superconductive property in compressed hydrogen (H)-rich hydrides has been motivated by hydrides, which become superconducting at low pressure due to chemical precompression. In the present study, we report the first-principles structure searches for stable vanadium(V) hydrides over a pressure scope 0-200 GPa, where stable unexpected stoichiometries of H-rich V hydrides (e.g., VH3, VH5, and VH8) emerge. These dense H-rich V hydrides are metallic with a strong ionic feature, and the coordination number of metal V gradually increases with H content...
November 2, 2017: Inorganic Chemistry
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