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https://www.readbyqxmd.com/read/28636393/lithium-ion-coupled-electron-transfer-rates-in-superconcentrated-electrolytes-exploring-the-bottlenecks-for-fast-charge-transfer-rates-with-limn2o4-cathode-materials
#1
Victoria A Nikitina, Maxim V Zakharkin, Sergey Yu Vassiliev, Lada V Yashina, Evgeny V Antipov, Keith J Stevenson
The charge transfer kinetics of lithium ion intercalation into LixMn2O4 cathode materials was examined in dilute and concentrated aqueous and carbonate LiTFSI solutions using electrochemical methods. Distinctive trends in ion intercalation rates were observed between water-based and ethylene carbonate/diethyl carbonate solutions. The influence of the solution concentration on the rate of lithium ion transfer in aqueous media can be tentatively attributed to the process associated with Mn dissolution, while in carbonate solutions the rate is influenced by the formation of a concentration-dependent solid electrolyte interface (SEI)...
June 21, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28636366/oxygenation-via-c-h-c-c-bond-activation-with-molecular-oxygen
#2
Yu-Feng Liang, Ning Jiao
The selective oxidation of organic molecules is a fundamentally important component of modern synthetic chemistry. In the past decades, direct oxidative C-H and C-C bond functionalization has proved to be one of the most efficient and straightforward methods to synthesize complex products from simple and readily available starting materials. Among these oxidative processes, the use of molecular oxygen as a green and sustainable oxidant has attracted considerable attention because of its highly atom-economical, abundant, and environmentally friendly characteristics...
June 21, 2017: Accounts of Chemical Research
https://www.readbyqxmd.com/read/28636359/relativistic-approximations-to-paramagnetic-nmr-chemical-shift-and-shielding-anisotropy-in-transition-metal-systems
#3
Syed Awais Rouf, Jiří Mareš, Juha Vaara
We apply approximate relativistic methods to calculate the magnetic property tensors, i.e., the g-tensor, zero-field splitting (ZFS) tensor (D), and hyperfine coupling (HFC) tensors, for the purpose of constructing paramagnetic nuclear magnetic resonance (pNMR) shielding tensors. The chemical shift and shielding anisotropy are calculated by applying a modern implementation of the classic Kurland-McGarvey theory (J. Magn. Reson. 1970, 2, 286), which formulates the shielding tensor in terms of the g- and HFC tensors obtained for the ground multiplet, in the case of higher than doublet multiplicity defined by the ZFS interaction...
June 21, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28636308/redox-sensitive-nanoscale-coordination-polymers-for-drug-delivery-and-cancer-theranostics
#4
Jiayue Zhao, Yu Yang, Xiao Han, Chao Liang, Jingjing Liu, Xuejiao Song, Zili Ge, Zhuang Liu
Nanoscale coordination polymers (NCPs) with inherent biodegradability, chemical diversities, and porous structures, are a promising class of nanomaterials in the nanomedicine field. Herein, a unique type of redox sensitive NCPs is constructed with manganese ions (Mn2+) and dithiodiglycolic acid as the disulfide (SS) containing organic bridging ligand. The obtained Mn-SS NCPs with mesoporous structure could be efficiently loaded with doxorubicin (DOX), a chemotherapeutics. The yielded Mn-SS/DOX nanoparticles are coated with a layer of polydopamine (PDA) and then modified by polyethylene glycol (PEG)...
June 21, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28635620/anomalous-dielectric-response-of-short-hydrogen-bonds-under-pressure-the-case-of-mn-fe-sup-2-sup-alpo-sub-4-sub-oh-sub-2-sub-h-sub-2-sub-o
#5
Benedikt Röska, So-Hyun Park, Yusuke Yoshimori, Kenta Kimura, Tsuyoshi Kimura
An anomalous increase in the real part of dielectric response is observed in Mn<sub>0.5</sub>Fe<sub>0.5</sub>AlPO<sub>4</sub>(OH)<sub>2</sub>H<sub>2</sub>O while cooling to ~70 K. This is addressed to field-induced proton dynamics in a short hydrogen bond of 2.480(3) Å. The absence of discontinuities in heat capacity curves above the Néel temperature (T<sub>N</sub> ≈ 7 K) excludes a paraelectric to antiferroelectric phase transition...
June 21, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/28635264/cadmium-accumulation-risk-in-vegetables-and-rice-in-southern-china-insights-from-solid-solution-partitioning-and-plant-uptake-factor
#6
Yang Yang, Meie Wang, Weiping Chen, Yanling Li, Chi Peng
Solid-solution partitioning coefficient (Kd) and plant uptake factor (PUF) largely determine the solubility and mobility of soil Cd to food crops. A four-year regional investigation was conducted in contaminated vegetable and paddy fields of southern China to quantify the variability in Kd and PUF. The distributions of Kd and PUF characterizing transfers of Cd from soil to vegetable and rice are probabilistic in nature. Dynamics in soil pH and soil Zn greatly affected the variations of Kd. In addition to soil pH, soil organic matter had a major influence on PUF variations in vegetables...
June 21, 2017: Journal of Agricultural and Food Chemistry
https://www.readbyqxmd.com/read/28634794/evaluation-in-situ-of-genotoxicity-and-stress-in-south-american-common-toad-rhinella-arenarum-in-environments-related-to-fluorite-mine
#7
Favio E Pollo, Pablo R Grenat, Zulma A Salinas, Manuel A Otero, Nancy E Salas, Adolfo L Martino
Little attention has been paid to the impact of wastewater generated by mining activities on fluoride. In this study, we evaluated the hematology responses of common South American toad Rhinella arenarum inhabiting natural and artificial environments associated with a fluorite mine from central Argentina. We analyzed three sampling stations associated with the fluorite mine: (I) Los Cerros Negros stream (CN), which runs on granitic rock with a high fluorite content; (II) Los Vallecitos stream (LV), which runs on metamorphic rock with low fluorite content; and (III) artificial decantation ponds (DP) containing sediments produced by fluorite flotation process...
June 20, 2017: Environmental Science and Pollution Research International
https://www.readbyqxmd.com/read/28634339/effective-synthesis-of-highly-oxidized-graphene-oxide-that-enables-wafer-scale-nanopatterning-preformed-acidic-oxidizing-medium-approach
#8
Chun-Hu Chen, Shin Hu, Jyun-Fu Shih, Chang-Ying Yang, Yun-Wen Luo, Ren-Huai Jhang, Chao-Ming Chiang, Yung-Jr Hung
Demand for rapid and massive-scale exfoliation of bulky graphite remains high in graphene commercialization and property manipulation. We report a procedure utilizing "preformed acidic oxidizing medium (PAOM)" as a modified version of the Hummers' method for fast and reliable synthesis of graphene oxide. Pre-mixing of KMnO4 and concentrated H2SO4 prior to the addition of graphite flakes enables the formation of effectively and efficiently oxidized graphene oxide (EEGO) featured by its high yields and suspension homogeneity...
June 20, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28634331/genotoxicity-and-cytotoxicity-of-the-plasma-jet-treated-medium-on-lymphoblastoid-wil2-ns-cell-line-using-the-cytokinesis-block-micronucleus-cytome-assay
#9
Sung-Ha Hong, Endre J Szili, Michael Fenech, Nishtha Gaur, Robert D Short
Despite growing interest in the application of atmospheric plasma jets as medical treatment strategies, there has been comparatively little research on the potential genotoxic and cytotoxic effects of plasma jet treatment. In this study, we have employed the cytokinesis block micronucleus cytome (CBMN-Cyt) assay with WIL2-NS B lymphoblastoid cells to test the potential genotoxicity, as well as the cytotoxicity, of toxic species generated in cell culture media by an argon (Ar) plasma jet. Elevated levels of cell death (necrosis) and occurrence of chromosomal damage (micronuclei MN, nculeoplasmic bridge NPBs and nuclear bus, Nbuds) were observed when cells were exposed to plasma jet-treated media...
June 20, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28633971/manganese-enhanced-magnetic-resonance-imaging-depicts-brain-activity-in-models-of-acute-and-chronic-pain-a-new-window-to-study-experimental-spontaneous-pain
#10
I M Devonshire, J J Burston, L Xu, A Lillywhite, M J Prior, D J G Watson, C M Greenspon, S J Iwabuchi, D P Auer, V Chapman
Application of functional imaging techniques to animal models is vital to understand pain mechanisms, but is often confounded by the need to limit movement artefacts with anaesthesia, and a focus on evoked responses rather than clinically relevant spontaneous pain and related hyperalgesia. The aim of the present study was to investigate the potential of manganese-enhanced magnetic resonance imaging (MEMRI) to measure neural responses during on-going pain that underpins hyperalgesia in pre-clinical models of nociception...
June 17, 2017: NeuroImage
https://www.readbyqxmd.com/read/28633945/assessment-of-heavy-metal-contamination-in-marine-sediments-of-east-coast-of-tamil-nadu-affected-by-different-pollution-sources
#11
N Harikrishnan, R Ravisankar, A Chandrasekaran, M Suresh Gandhi, K V Kanagasabapathy, M V R Prasad, K K Satapathy
The aim of this study was to determine the concentration of heavy metals in the sediments of Periyakalapet to Parangipettai coast, east coast of Tamil Nadu, by using energy-dispersive X-ray fluorescence (EDXRF) technique. The average heavy metal concentrations in the sediment samples were found in the order Al>Fe>Ca>Ti>K>Mg>Mn>Ba>V>Cr>Zn>La>Ni>Pb>Co>Cd>Cu. The average heavy metal concentrations were below the world crustal average. The degree of contamination by heavy metals was evaluated using pollution indices...
June 17, 2017: Marine Pollution Bulletin
https://www.readbyqxmd.com/read/28633848/novel-synthesis-of-nanocomposite-for-the-extraction-of-sildenafil-citrate-viagra-from-water-and-urine-samples-process-screening-and-optimization
#12
Arash Asfaram, Mehrorang Ghaedi, Mihir Kumar Purkait
A sensitive analytical method is investigated to concentrate and determine trace level of Sildenafil Citrate (SLC) present in water and urine samples. The method is based on a sample treatment using dispersive solid-phase micro-extraction (DSPME) with laboratory-made Mn@ CuS/ZnS nanocomposite loaded on activated carbon (Mn@ CuS/ZnS-NCs-AC) as a sorbent for the target analyte. The efficiency was enhanced by ultrasound-assisted (UA) with dispersive nanocomposite solid-phase micro-extraction (UA-DNSPME). Four significant variables affecting SLC recovery like; pH, eluent volume, sonication time and adsorbent mass were selected by the Plackett-Burman design (PBD) experiments...
September 2017: Ultrasonics Sonochemistry
https://www.readbyqxmd.com/read/28633293/the-tonoplast-localized-transporter-mtp8-2-contributes-to-manganese-detoxification-in-the-shoots-and-roots-of-oryza-sativa-l
#13
Yuma Takemoto, Yuta Tsunemitsu, Miho Fujii-Kashino, Namiki Mitani-Ueno, Naoki Yamaji, Jian Feng Ma, Shin-Ichiro Kato, Kozo Iwasaki, Daisei Ueno
Manganese (Mn) cation diffusion facilitators (Mn-CDFs) play important roles in the Mn homeostasis of plants. In rice, the tonoplast-localized Mn-CDF metal tolerance protein 8.1 (MTP8.1) is involved in Mn detoxification in the shoots. This study functionally characterized the Mn-CDF MTP8.2 and determined its contribution to Mn tolerance. MTP8.2 was found to share 68% identity with MTP8.1 and was expressed in both the shoots and roots, but its transcription level was lower than that of MTP8.1. Transient expression of the MTP8...
June 13, 2017: Plant & Cell Physiology
https://www.readbyqxmd.com/read/28632276/optimising-the-relaxivities-of-mn-2-complexes-by-targeting-human-serum-albumin-hsa
#14
Attila Forgács, Lorenzo Tei, Zsolt Baranyai, David Esteban-Gómez, Carlos Platas-Iglesias, Mauro Botta
We report two novel macrocyclic ligands based on the 1,4-DO2AM platform (1,4-DO2AM = 2,2'-(1,4,7,10-tetraazacyclododecane-1,4-diyl)diacetamide) and containing two benzyl groups attached either to the nitrogen atoms of the macrocyclic unit (1,4-BzDO2AM) or to the amide pendant arms (1,4-DO2AMBz). The protonation constants of the ligands and the stability constants of their Mn(2+) complexes were determined using pH potentiometry. The introduction of benzyl groups results in a slight decrease of the stability constants of the Mn(2+) complexes and a slight increase of their acid-catalysed dissociation reactions...
June 20, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/28632154/synthesis-and-biodegradation-of-poly-l-lactide-co-%C3%AE-propiolactone
#15
Yuushou Nakayama, Kazuki Aihara, Zhengguo Cai, Takeshi Shiono, Chikara Tsutsumi
Although the copolymerizations of l-lactide (LA) with seven- or six-membered ring lactones have been extensively studied, the copolymerizations of LA with four-membered ring lactones have scarcely been reported. In this work, we studied the copolymerization of LA with β-propiolactone (PL) and the properties of the obtained copolymers. The copolymerization of LA with PL was carried out using trifluoromethanesulfonic acid as a catalyst and methanol as an initiator to produce poly(LA-co-PL) with Mn of ~50,000 and PL-content of 6-67 mol %...
June 20, 2017: International Journal of Molecular Sciences
https://www.readbyqxmd.com/read/28631925/anticancer-activity-of-polyoxometalate-bisphosphonate-complexes-synthesis-characterization-in-vitro-and-in-vivo-results
#16
Amandine Boulmier, Xinxin Feng, Olivier Oms, Pierre Mialane, Eric Rivière, Christopher J Shin, Jiaqi Yao, Tadahiko Kubo, Taisuke Furuta, Eric Oldfield, Anne Dolbecq
We synthesized a series of polyoxometalate-bisphosphonate complexes containing Mo(VI)O6 octahedra, zoledronate, or an N-alkyl (n-C6 or n-C8) zoledronate analogue, and in two cases, Mn as a heterometal. Mo6L2 (L = Zol, ZolC6, ZolC8) and Mo4L2Mn (L = Zol, ZolC8) were characterized by using single-crystal X-ray crystallography and/or IR spectroscopy, elemental and energy dispersive X-ray analysis and (31)P NMR. We found promising activity against human nonsmall cell lung cancer (NCI-H460) cells with IC50 values for growth inhibition of ∼5 μM per bisphosphonate ligand...
June 20, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28631868/mn-i-catalyzed-regio-and-stereoselective-1-2-diheteroarylation-of-allenes-combination-of-c-h-activation-and-smiles-rearrangement
#17
Shi-Yong Chen, Xiang-Lei Han, Jia-Qiang Wu, Qingjiang Li, Yunyun Chen, Honggen Wang
Heteroarenes are important structural motif in functional molecules. Reported herein is a Mn(I)-catalyzed 1,2-diheteroarylation of allenes via a C-H activation/Smiles rearrangement cascade. The reaction occurred under additive-free or even solvent-free conditions which allowed the creation of two C-C and one C-N bonds in a single operation. A series of structurally diverse bicyclic or tricyclic compounds bearing an exocyclic double bond were constructed in good to excellent efficiency. The decarboxylative ring-opening of the products led to the facile synthesis of vicinal biheteroaryls...
June 20, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28631370/microbial-manganese-iii-reduction-fueled-by-anaerobic-acetate-oxidation
#18
Nadia Szeinbaum, Hui Lin, Jay A Brandes, Martial Taillefert, Jennifer B Glass, Thomas J DiChristina
Soluble manganese in the intermediate +III oxidation state (Mn(3+) ) is a newly identified oxidant in anoxic environments, whereas acetate is a naturally abundant substrate that fuels microbial activity. Microbial populations coupling anaerobic acetate oxidation to Mn(3+) reduction, however, have yet to be identified. We isolated a Shewanella strain capable of oxidizing acetate anaerobically with Mn(3+) as the electron acceptor, and confirmed this phenotype in other strains,. This metabolic connection between acetate and soluble Mn(3+) represents a new biogeochemical link between carbon and manganese cycles...
June 19, 2017: Environmental Microbiology
https://www.readbyqxmd.com/read/28631174/studies-of-the-interaction-of-influenza-virus-rna-polymerase-pan-with-endonuclease-inhibitors
#19
Li-Hua Dong, Xiao-Rong Cao
Influenza virus is a major causative agent of respiratory viral infections, and RNA polymerase catalyzes its replication and transcription activities in infected cell nuclei. Since it is highly conserved in all virus strains, RNA polymerase becomes a key target of anti-influenza virus agents. Although experimental studies have revealed the good inhibitory activity of endonuclease inhibitors to RNA polymerase, the mechanism is still unclear. In this study, the docking and molecular dynamics simulations have been performed to explore the interaction of three kinds of endonuclease inhibitors with the subunit (PAN) of RNA polymerase...
June 19, 2017: Interdisciplinary Sciences, Computational Life Sciences
https://www.readbyqxmd.com/read/28630970/heavy-ligand-atom-induced-large-magnetic-anisotropy-in-mn-ii-complexes
#20
Sabyasachi Roy Chowdhury, Sabyashachi Mishra
In the search for single molecule magnets, metal ions are considered pivotal towards achieving large magnetic anisotropy barriers. In this context, the influence of ligands with heavy elements, showing large spin-orbit coupling, on magnetic anisotropy barriers was investigated using a series of Mn(ii)-based complexes, in which the metal ion did not have any orbital contribution. The mixing of metal and ligand orbitals was achieved by explicitly correlating the metal and ligand valence electrons with CASSCF calculations...
June 20, 2017: Physical Chemistry Chemical Physics: PCCP
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