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https://www.readbyqxmd.com/read/28812956/toxicity-identification-and-evaluation-for-the-effluent-from-a-nonmetallic-mineral-mining-facility-in-korea-using-d-magna
#1
Sungjong Lee, Hongjoo Ha, JinKyung Hong, Guyoung Kang, Chunsang Hong
Industrial wastewater has attracted increasing attention in recent years because of its impact on ecosystems and human health. Whole-effluent tests are generally used to monitor toxicities of unknown chemicals and conventional pollutants from industrial effluent discharges. This study described identification evaluation (TIE) procedures to determine the acute toxicity of a nonmetallic mineral mining facility effluent that was toxic to Daphnia magna. In the characterization step (TIE phase I), toxic effects of heavy metals, organic compounds, oxidants, volatile organic compounds, suspended solids, and ammonia were screened...
January 1, 2017: Toxicology and Industrial Health
https://www.readbyqxmd.com/read/28812873/ultrathin-manganese-based-metal-organic-framework-nanosheets-low-cost-and-energy-dense-lithium-storage-anodes-with-the-coexistence-of-metal-and-ligand-redox-activities
#2
Chao Li, Xiaoshi Hu, Wei Tong, Wensheng Yan, Xiaobing Lou, Ming Shen, Bingwen Hu
We herein demonstrate the fabrication of Mn- and Ni-based ultrathin metal-organic framework nanosheets with the same coordination mode (defined as 'Mn-UMOFNs' and 'Ni-UMOFNs', respectively) through an expedient and versatile ultrasonic approach, and scrutinize their electrochemical properties as anode materials for rechargeable lithium battery for the first time. The obtained Mn-UMOFNs with structure advantages over Ni-UMOFNs (thinner nanosheets, smaller metal-ion radius, higher specific surface area) exhibit high reversible capacity (1187 mAh g-1 at 100 mA g-1 for 100 cycles), excellent rate capability (701 mAh g-1 even at 2 A g-1), rapid Li+ diffusion coefficient (2...
August 16, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28812744/benzene-centred-tripodal-diglycolamides-for-the-sequestration-of-trivalent-actinides-metal-ion-extraction-and-luminescence-spectroscopic-investigations-in-a-room-temperature-ionic-liquid
#3
Seraj Ahmad Ansari, Prasanta Kumar Mohapatra, Andrea Leoncini, Jurriaan Huskens, Willem Verboom
Three benzene-centred tripodal diglycolamide (Bz-T-DGA) ligands, where the diglycolamide (DGA) moieties are attached to a central benzene ring through ethylene spacers (LI), amide groups (LII) or ether linkages (LIII), were evaluated for their extraction behaviour towards trivalent actinide and lanthanide ions in a room temperature ionic liquid (RTIL), viz. 1-butyl-3-methylimidazolium bis(trifluoromethane)sulfonimide ([C4mim][Tf2N]). The extraction behaviour of these ligands in [C4mim][Tf2N] medium was compared with that obtained in the molecular solvent n-dodecane showing an opposite selectivity of LIII > LII > LIvs...
August 16, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/28812086/different-natures-of-surface-electronic-transitions-of-carbon-nanoparticles
#4
A Sciortino, A Cayuela, M L Soriano, F M Gelardi, M Cannas, M Valcárcel, F Messina
The photoluminescence behaviour of carbon-based nanodots is still debated. Both core and surface structures are involved in the emission mechanism, and the electronic transitions can be modified by external agents such as metal ions or pH, but the general relation between the structure and the optical function is poorly understood. Here, we report a comparative study on the effects of these variables, changing the core structure from crystalline to amorphous, and modifying the surface structure by different passivation procedures...
August 16, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28811866/preliminary-data-on-the-interaction-between-some-biometals-and-oxidative-stress-status-in-mild-cognitive-impairment-and-alzheimer-s-disease-patients
#5
Ioana-Miruna Balmuș, Stefan-Adrian Strungaru, Alin Ciobica, Mircea-Nicusor Nicoara, Romeo Dobrin, Gabriel Plavan, Cristinel Ștefănescu
Increased interest regarding the biometal mechanisms of action and the pathways in which they have regulatory roles was lately observed. Particularly, it was shown that biometal homeostasis dysregulation may lead to neurodegeneration including Alzheimer's disease, Parkinson disease, or prion protein disease, since important molecular signaling mechanisms in brain functions implicate both oxidative stress and redox active biometals. Oxidative stress could be a result of a breakdown in metal-ion homeostasis which leads to abnormal metal protein chelation...
2017: Oxidative Medicine and Cellular Longevity
https://www.readbyqxmd.com/read/28811613/transcriptomic-analysis-of-nickel-exposure-in-sphingobium-sp-ba1-cells-using-rna-seq
#6
M Volpicella, C Leoni, C Manzari, M Chiara, E Picardi, E Piancone, F Italiano, A D'Erchia, M Trotta, D S Horner, G Pesole, L R Ceci
Nickel acts as cofactor for a number of enzymes of many bacteria species. Its homeostasis is ensured by proteins working as ion efflux or accumulation systems. These mechanisms are also generally adopted to counteract life-threatening high extra-cellular Ni(2+) concentrations. Little is known regarding nickel tolerance in the genus Sphingobium. We studied the response of the novel Sphingobium sp. ba1 strain, able to adapt to high Ni(2+) concentrations. Differential gene expression in cells cultured in 10 mM Ni(2+), investigated by RNA-seq analysis, identified 118 differentially expressed genes...
August 15, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28811471/two-magnon-scattering-in-the-5d-all-in-all-out-pyrochlore-magnet-cd2os2o7
#7
Thi Minh Hien Nguyen, Luke J Sandilands, C H Sohn, C H Kim, Aleksander L Wysocki, In-Sang Yang, S J Moon, Jae-Hyeon Ko, J Yamaura, Z Hiroi, Tae Won Noh
5d pyrochlore oxides with all-in-all-out magnetic order are prime candidates for realizing strongly correlated, topological phases of matter. Despite significant effort, a full understanding of all-in-all-out magnetism remains elusive as the associated magnetic excitations have proven difficult to access with conventional techniques. Here we report a Raman spectroscopy study of spin dynamics in the all-in-all-out magnetic state of the 5d pyrochlore Cd2Os2O7. Through a comparison between the two-magnon scattering and spin-wave theory, we confirm the large single ion anisotropy in this material and show that the Dzyaloshinskii-Moriya and exchange interactions play a significant role in the spin-wave dispersions...
August 15, 2017: Nature Communications
https://www.readbyqxmd.com/read/28811466/time-lapse-crystallography-snapshots-of-a-double-strand-break-repair-polymerase-in-action
#8
Joonas A Jamsen, William A Beard, Lars C Pedersen, David D Shock, Andrea F Moon, Juno M Krahn, Katarzyna Bebenek, Thomas A Kunkel, Samuel H Wilson
DNA polymerase (pol) μ is a DNA-dependent polymerase that incorporates nucleotides during gap-filling synthesis in the non-homologous end-joining pathway of double-strand break repair. Here we report time-lapse X-ray crystallography snapshots of catalytic events during gap-filling DNA synthesis by pol μ. Unique catalytic intermediates and active site conformational changes that underlie catalysis are uncovered, and a transient third (product) metal ion is observed in the product state. The product manganese coordinates phosphate oxygens of the inserted nucleotide and PPi...
August 15, 2017: Nature Communications
https://www.readbyqxmd.com/read/28811160/high-efficiency-removal-of-lead-from-wastewater-by-biochar-derived-from-anaerobic-digestion-sludge
#9
Shih-Hsin Ho, Yi-di Chen, Zhong-Kai Yang, Dillirani Nagarajan, Jo-Shu Chang, Nan-Qi Ren
The properties of biochar derived from waste activated sludge and anaerobic digestion sludge under pyrolysis temperature varying from 400°C to 800°C were investigated. The heavy metals adsorption efficiency of the sludge-derived biochar was also examined. Among the biochar samples tested, ADSBC600 possessing highly porous structure, special surface chemical behaviors and high thermal stability was found to remove Pb(2+) from aqueous solutions efficiently with an adsorption capacity of 51.20mg/g. The Pb(2+) adsorption kinetics and isotherm for ADSBC600 can be described using the pseudo second-order model and Langmuir isotherm, respectively...
August 7, 2017: Bioresource Technology
https://www.readbyqxmd.com/read/28810743/layer-by-layer-molecular-assemblies-for-dye-sensitized-pho-toelectrosynthesis-cells-prepared-by-atomic-layer-deposi-tion
#10
Degao Wang, Matthew V Sheridan, Bing Shan, Byron H Farnum, Seth L Marquard, Benjamin D Sherman, Michael S Eberhart, Animesh Nayak, Christopher Dares, Atanu Das, R Morris Bullock, Thomas J Meyer
In a Dye Sensitized Photoelectrosynthesis Cell (DSPEC) the relative orientation of the catalyst and chromophore plays an important role in determining the device efficiency. Here we introduce a new, robust atomic layer deposition (ALD) procedure for the preparation of molecular chromophore-catalyst assemblies on wide bandgap semiconductors. In this procedure, solution deposited, phosphonate derivatized metal complexes on metal oxide surfaces are treated with reactive metal reagents in the gas phase by ALD to form an outer metal ion bridging group which can bind a second phosphonate containing species from solution to establish a R1-PO2-O-M-O-PO2-R2 type surface assembly...
August 15, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28809972/ab-initio-study-of-li-mg-and-al-insertion-into-rutile-vo2-fast-diffusion-and-enhanced-voltages-for-multivalent-batteries
#11
Vadym V Kulish, Daniel Koch, Sergei Manzhos
Vanadium oxides are among the most promising materials that can be used as electrodes in rechargeable metal-ion batteries. In this work, we systematically investigate thermodynamic, electronic, and kinetic properties associated with the insertion of Li, Mg and Al atoms into rutile VO2. Using first-principles calculations, we systematically study the structural evolution and voltage curves of LixVO2, MgxVO2 and AlxVO2 (0 < x < 1) compounds. The calculated lithium intercalation voltage starts at 3.50 V for single-atom insertion and decreases to 2...
August 15, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28809565/dipicolinic-acid-derivatives-as-inhibitors-of-new-delhi-metallo-%C3%AE-lactamase-1
#12
Allie Y Chen, Pei W Thomas, Alesha C Stewart, Alexander Bergstrom, Zishuo Cheng, Callie Miller, Christopher R Bethel, Steven H Marshall, Cy V Credille, Christopher L Riley, Richard C Page, Robert A Bonomo, Michael W Crowder, David L Tierney, Walter Fast, Seth M Cohen
The efficacy of β-lactam antibiotics is threatened by the emergence and global spread of metallo-β-lactamase-(MBL) mediated resistance, specifically New Delhi-Metallo-β- lactamase-1 (NDM-1). Utilizing fragment-based drug discovery (FBDD), a new class of inhibitors for NDM-1 and two related β-lactamases, IMP-1 and VIM-2, was identified. Based on 2,6-dipicolinic acid (DPA), several libraries were synthesized for structure-activity relationship (SAR) analysis. Inhibitor 36 (IC50 = 80 nM) was identified to be highly selective for MBLs when compared to other Zn(II) metalloenzymes...
August 15, 2017: Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28809558/aliphatic-c-sp3-h-bond-activation-using-nickel-catalysis-mechanistic-insights-on-regioselective-arylation
#13
Sukriti Singh, Surya K, Raghavan B Sunoj
Transition metal catalyzed C(sp3)-H bond activation in aliphatic compounds are of current interest. Lack of mechanistic insights on Ni-catalyzed C(sp3)-H activation using 8-aminoquinoline as a directing group motivated us to examine an interesting direct arylation of an aliphatic tertiary amide by using density functional theory. The catalysis employed Ni(II) pre-catalyst, 4-iodoanisole as an arylating agent, sodium carbonate and mesitylenic acid as additives in DMF solvent. Examination of a comprehensive set of mechanistic pathways helped us learn that the most preferred route begins with a bidentate chelate binding of deprotonated substrate to the Ni...
August 15, 2017: Journal of Organic Chemistry
https://www.readbyqxmd.com/read/28809555/electronic-magnetic-and-redox-properties-and-o2-reactivity-of-iron-ii-and-nickel-ii-o-semiquinonate-complexes-of-a-tris-thioether-ligand-uncovering-the-intradiol-cleaving-reactivity-of-an-iron-ii-o-semiquinonate-complex
#14
Peng Wang, Michelle M Killian, Mohamed R Saber, Tian Qiu, Glenn P A Yap, Codrina V Popescu, Joel Rosenthal, Kim R Dunbar, Thomas C Brunold, Charles G Riordan
The iron(II) semiquinonate character within the iron(III) catecholate species has been proposed by numerous studies to account for the O2 reactivity of intradiol catechol dioxygenases, but a well-characterized iron(II) semiquinonate species that exhibits intradiol cleaving reactivity has not yet been reported. In this study, a detailed electronic structure description of the first iron(II) o-semiquinonate complex, [PhTt(tBu)]Fe(phenSQ) [PhTt(tBu) = phenyltris(tert-butylthiomethyl)borate; phenSQ = 9,10-phenanthrenesemiquinonate; Wang et al...
August 15, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28809503/synthesis-of-denser-energetic-metal-organic-frameworks-via-a-tandem-anion-ligand-exchange-strategy
#15
Jichuan Zhang, Hui Su, Yalu Dong, Pengcheng Zhang, Yao Du, Shenghua Li, Michael Gozin, Siping Pang
High-density materials have attracted extensive attention because of their broad applications. However, strategies for improving the densities of MOFs and preparing denser MOFs remain almost unexplored. Herein, we propose a tandem anion-ligand exchange strategy for synthesizing denser MOFs by using three-dimensional cationic MOFs (3D CMOFs) with pillared layered structures as precursors and high-density anions and small monotopic ligands as exogenous guests. By means of this strategy, we choose the high-density nitroformate ion [C(NO2)3(-)] as an exogenous anion and water as an exogenous ligand to successfully synthesize two layered CMOFs...
August 15, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28809483/discrimination-and-enantiomeric-excess-determination-of-chiral-primary-amines-based-on-a-chiral-at-metal-ir-iii-complex-using-nmr-spectroscopy
#16
Li-Ping Li, Bao-Hui Ye
A three-component protocol involving enantiopure Δ-[Ir(ppy)2(MeCN)2](PF6) (ppy is 2-phenylpyridine) and salicylaldehyde as chiral auxiliaries was successfully applied to discriminate the absolute configuration and determine the enantiopurity of primary amines and amine alcohols via (1)H NMR spectroscopy. The assembly reaction is rapid and quantitative, generating a pair of diastereomers that can be determined directly without physical separation. Single crystal structural analyses indicate that the shielding effects on the ligands imposed by a pair of diastereomers are different and generate sufficient resolution NMR signals for identification...
August 15, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28809478/ruthenium-ii-and-ruthenium-iii-complexes-of-p-benziporphyrin-merging-equatorial-and-axial-organometallic-coordination
#17
Aneta Idec, Miłosz Pawlicki, Lechosław Latos-Grażyński
A diamagnetic ruthenium(II) complex of 5,10,15,20-tetraphenyl-p-benziporphyrin [Ru(II)(p-BzP)(CO)Cl] was obtained via the insertion of ruthenium into p-benziporphyrin using triruthenium(0) dodecacarbonyl [Ru3(CO)12] as the metal source. The procedure applying dichloro(cycloocta-1,5-diene)ruthenium(II) (polymer, [Ru(COD)Cl2]n) afforded the paramagnetic six-coordinate ruthenium(III) p-benziporphyrin [Ru(III)(p-BzP)Cl2]. As shown by X-ray crystallography, the p-phenylene ring in both complexes is sharply tilted out of the N3 plane, as reflected by the respective N3 (pyrrole)-C6 (p-phenylene) dihedral angle [Ru(II)(p-BzP)(CO)Cl, 52...
August 15, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28809428/a-critical-role-of-catalyst-morphology-in-low-temperature-synthesis-of-carbon-nanotube-transition-metal-oxide-nanocomposite
#18
Xiaoyan Jin, Joohyun Lim, Yoonhoo Ha, Nam Hee Kwon, Hyeyoung Shin, In Young Kim, Nam-Suk Lee, Myung Hwa Kim, Hyungjun Kim, Seong-Ju Hwang
The effect of the catalyst morphology on the growth of carbon nanotubes (CNT) on nanostructured transition metal oxides was investigated to study a novel low-temperature synthetic route to functional CNT-transition metal oxide nanocomposites. Among several nanostructured manganese oxides with various morphologies and structures, only exfoliated 2D nanosheets of layered MnO2 acted as an effective catalyst for the chemical vapor deposition of CNT at low temperatures of 400-500 °C, which emphasizes the critical role of the catalyst morphology in CNT growth...
August 15, 2017: Nanoscale
https://www.readbyqxmd.com/read/28809106/structural-characteristics-and-function-of-a-new-kind-of-thermostable-trehalose-synthase-from-thermobaculum-terrenum
#19
Junqing Wang, Xudong Ren, Ruiming Wang, Jing Su, Feng Wang
Trehalose has important applications in the food industry and pharmaceutical manufacturing. The thermostable enzyme trehalose synthase from Thermobaculum terrenum (TtTS) catalyzes the reversible interconversion of maltose and trehalose. Here, we investigated the structural characteristics of TtTS in complex with the inhibitor TriS. TtTS exhibits the typical three domain glycoside hydrolase family 13 structure. The catalytic cleft consists of Asp202-Glu244-Asp310 and various conserved substrate-binding residues...
August 15, 2017: Journal of Agricultural and Food Chemistry
https://www.readbyqxmd.com/read/28809067/in-situ-fabrication-of-mof-derived-co-co-layered-double-hydroxide-hollow-nanocages-graphene-composite-a-novel-electrode-material-with-superior-electrochemical-performance
#20
Xue Bai, Jingyuan Liu, Qi Liu, Rongrong Chen, Xiaoyan Jing, Bin Li, Jun Wang
Rational design of transition metal layered double hydroxide and graphene composite are vital important for designing high-performance supercapacitor electrodes. Although various methods have been performed, however, the realization of high-performance is still impeded by the agglomeration of graphene and layered double hydroxide. Here, metal-organic frameworks derived cobalt-cobalt layered double hydroxide (Co-Co LDH) hollow nanocages uniformly deposited on graphene nanosheets, are fabricated via facile in-situ co-deposition and thermal ion-exchange reaction...
August 15, 2017: Chemistry: a European Journal
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