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https://www.readbyqxmd.com/read/28209538/new-insight-into-the-catalytic-cycle-about-epoxidation-of-alkenes-by-n2o-over-a-mn-substituted-keggin-type-polyoxometalate
#1
Meng-Xu Jiang, Chun-Guang Liu
Although epoxidation of alkenes by N2O catalyzed by Mn-substituted polyoxometalates (POMs) has been studied both experimental and theoretical methods, a complete catalytic cycle has not been established currently. In the present paper, density functional theory (DFT) calculations were employed to explore possible reaction mechanism about this catalytic cycle. Our DFT studies reveal that the reaction pathway starts from a low-valent Keggin-type POM aquametal derivative [PW11O39Mn(III)H2O](4-). In the presence of N2O pressure, the formation of the active catalytic species [PW11O39Mn(V)O](4-) involves a ligand-substituted reaction about replacement of the aqua ligand with N2O to generation of POM/N2O adduct [PW11O39Mn(III)ON2](4-) and dissociation of N2 from this adduct...
December 21, 2016: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/28204978/characterization-and-cytotoxic-effect-of-aqua-2-2-2-nitrilotriacetato-oxo-vanadium-salts-on-human-osteosarcoma-cells
#2
Aleksandra Tesmar, Dariusz Wyrzykowski, Rafał Kruszyński, Karolina Niska, Iwona Inkielewicz-Stępniak, Joanna Drzeżdżon, Dagmara Jacewicz, Lech Chmurzyński
The use of protonated N-heterocyclic compound, i.e. 2,2'-bipyridinium cation, [bpyH(+)], enabled to obtain the new nitrilotriacetate oxidovanadium(IV) salt of the stoichiometry [bpyH][VO(nta)(H2O)]H2O. The X-ray measurements have revealed that the compound comprises the discrete mononuclear [VO(nta)(H2O)](-) coordination ion that can be rarely found among other known compounds containing nitrilotriacetate oxidovanadium(IV) moieties. The antitumor activity of [bpyH][VO(nta)(H2O)]H2O and its phenanthroline analogue, [phenH][VO(nta)(H2O)](H2O)0...
February 15, 2017: Biometals: An International Journal on the Role of Metal Ions in Biology, Biochemistry, and Medicine
https://www.readbyqxmd.com/read/28203645/saharan-dust-detection-using-multi-sensor-satellite-measurements
#3
Sriharsha Madhavan, John J Qu, X Hao
Contemporary scientists have vested interest in trying to understand the climatology of the North Atlantic Basin since this region is considered as the genesis for hurricane formation that eventually get shipped to the tropical Atlantic region and the Caribbean. The effects of atmospheric water cycle and the climate of West Africa and the Atlantic basin are hugely impacted by the radiative forcing of Saharan dust. The focus area in this paper would be to improve the dust detection schemes by employing the use of multi sensor measurements in the thermal emissive wavelengths using legacy sensors such as Terra (T) and Aqua (A) MODerate-resolution Imaging Spectroradiometer (MODIS), fusing with Ozone Monitoring Instrument (OMI)...
February 2017: Heliyon
https://www.readbyqxmd.com/read/28196634/objective-domain-specific-her2-measurement-in-uterine-and-ovarian-serous-carcinomas-and-its-clinical-significance
#4
Daniel E Carvajal-Hausdorf, Kurt A Schalper, Yalai Bai, Jonathan Black, Alessandro D Santin, David L Rimm
INTRODUCTION: HER2 overexpression/amplification is identified in up to 40% of uterine serous carcinomas (USC) and 10% of ovarian serous carcinomas (OSC). However, clinical trials using various HER2-targeted agents failed to show significant responses. FDA-approved HER2 assays target only the protein's intracellular domain (ICD) and not the extracellular domain (ECD). Previous quantitative studies in breast cancer by our group have shown that ICD of HER2 is expressed in some cases that do not express the HER2 ECD...
February 11, 2017: Gynecologic Oncology
https://www.readbyqxmd.com/read/28184984/allelopathic-effects-of-myriophyllum-aquaticum-on-two-cyanobacteria-of-anabaena-flos-aquae-and-microcystis-aeruginosa
#5
Haiping Wang, Feng Liu, Pei Luo, Zihan Li, Liguo Zheng, Hua Wang, Dongsheng Zou, Jinshui Wu
Allelopathy has been proposed as a sustainable means to control undesired algal growth and to reduce blooms threatening freshwater systems worldwide. In this study, the allelopathic effects of Myriophyllum aquaticum and its exudate on two typical bloom-forming cyanobacteria, Microcystis aeruginosa and Anabaena flos-aquae, were investigated under laboratory conditions. The growth of the cyanobacteria was strongly inhibited by live M. aquaticum while the primary addition of M. Aquaticum exudates had a significant inhibitory effect on the growth of M...
February 9, 2017: Bulletin of Environmental Contamination and Toxicology
https://www.readbyqxmd.com/read/28183284/study-of-user-experience-of-an-objective-test-qbtest-to-aid-adhd-assessment-and-medication-management-a-multi-methods-approach
#6
Charlotte L Hall, Althea Z Valentine, Gemma M Walker, Harriet M Ball, Heather Cogger, David Daley, Madeleine J Groom, Kapil Sayal, Chris Hollis
BACKGROUND: The diagnosis and monitoring of Attention deficit hyperactivity disorder (ADHD) typically relies on subjective reports and observations. Objective continuous performance tests (CPTs) have been incorporated into some services to support clinical decision making. However, the feasibility and acceptability of adding such a test into routine practice is unknown. The study aimed to investigate the feasibility and acceptability of adding an objective computerised test to the routine assessment and monitoring of attention deficit hyperactivity disorder (ADHD)...
February 10, 2017: BMC Psychiatry
https://www.readbyqxmd.com/read/28183068/electroless-deposition-of-nickel-boron-coatings-using-low-frequency-ultrasonic-agitation-effect-of-ultrasonic-frequency-on-the-coatings
#7
L Bonin, N Bains, V Vitry, A J Cobley
The effect of ultrasound on the properties of Nickel-Boron (NiB) coatings was investigated. NiB coatings were fabricated by electroless deposition using either ultrasonic or mechanical agitation. The deposition of Ni occurred in an aqueous bath containing a reducible metal salt (nickel chloride), reducing agent (sodium borohydride), complexing agent (ethylenediamine) and stabilizer (lead tungstate). Due to the instability of the borohydride in acidic, neutral and slightly alkaline media, pH was controlled at pH 12±1 in order to avoid destabilizing the bath...
January 30, 2017: Ultrasonics
https://www.readbyqxmd.com/read/28181015/a-density-functional-theory-investigation-of-the-interaction-of-the-tetraaqua-calcium-cation-with-bidentate-carbonyl-ligands
#8
Daniel Garcez S Quattrociocchi, Marcos Vinicius Monsores Meuser, Glaucio Braga Ferreira, José Walkimar de M Carneiro, Stanislav R Stoyanov, Leonardo Moreira da Costa
Calcium complexes with bidentate carbonyl ligands are important in biological systems, medicine and industry, where the concentration of Ca(2+) is controlled using chelating ligands. The exchange of two water molecules of [Ca(H2O)6](2+) for one bidentate monosubstituted and homo disubstituted dicarbonyl ligand was investigated using the B3LYP/6-311++G(d,p) method. The ligand substituents NH2, OCH3, OH, CH3, H, F, Cl, CN and NO2 are functional groups with distinct electron-donating and -withdrawing effects that bond directly to the sp(2) C atom of the carbonyl group...
February 2017: Journal of Molecular Modeling
https://www.readbyqxmd.com/read/28165219/redox-potentials-of-cobalt-corrinoids-with-axial-ligands-correlate-with-heterolytic-co-c-bond-dissociation-energies
#9
Yoshitsugu Morita, Koji Oohora, Akiyoshi Sawada, Takashi Kamachi, Kazunari Yoshizawa, Takashi Hayashi
We investigate the correlations between the redox potentials of nonalkylated cobalt corrinoids and the Co-C bond dissociation energies (BDEs) of the methylated species with an aqua or histidine axial ligand. A set of cobalt corrinoids, cobalamin, and its model systems, which include new version of myoglobin reconstituted with cobalt didehydrocorrin, are investigated. The Co(III)/Co(II) and Co(II)/Co(I) redox potentials of myoglobin reconstituted with cobalt tetradehydrocorrin and didehydrocorrin and the bare cofactors were determined...
February 6, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28164700/evaluation-of-the-single-dilute-0-43-m-nitric-acid-extraction-to-determine-geochemically-reactive-elements-in-soil
#10
Jan E Groenenberg, Paul F A M Römkens, André Van Zomeren, Sonia M Rodrigues, Rob N J Comans
Recently a dilute nitric acid extraction (0.43 M) was adopted by ISO (ISO-17586:2016) as standard for extraction of geochemically reactive elements in soil and soil like materials. Here we evaluate the performance of this extraction for a wide range of elements by mechanistic geochemical modeling. Model predictions indicate that the extraction recovers the reactive concentration quantitatively (>90%). However, at low ratios of element to reactive surfaces the extraction underestimates reactive Cu, Cr, As, and Mo, that is, elements with a particularly high affinity for organic matter or oxides...
February 6, 2017: Environmental Science & Technology
https://www.readbyqxmd.com/read/28158086/adjacency-effects-in-satellite-radiometric-products-from-coastal-waters-a-theoretical-analysis-for-the-northern-adriatic-sea
#11
Barbara Bulgarelli, Viatcheslav Kiselev, Giuseppe Zibordi
Biases induced by land perturbations in satellite-derived water-leaving radiance are theoretically estimated for typical observation conditions in a coastal area of the northern Adriatic Sea hosting the Aqua Alta Oceanographic Tower (AAOT) validation site. Two different correction procedures are considered: not deriving (AC-1) or alternatively deriving (AC-2) the atmospheric properties from the remote sensing data. In both cases, biases due to adjacency effects largely increase by approaching the coast and with the satellite viewing angle...
February 1, 2017: Applied Optics
https://www.readbyqxmd.com/read/28132191/infraspecific-variability-in-baseline-element-composition-of-the-epiphytic-lichen-pseudevernia-furfuracea-in-remote-areas-implications-for-biomonitoring-of-air-pollution
#12
Guido Incerti, Elva Cecconi, Fiore Capozzi, Paola Adamo, Roberto Bargagli, Renato Benesperi, Fabio Candotto Carniel, Fabiana Cristofolini, Simonetta Giordano, Domenico Puntillo, Valeria Spagnuolo, Mauro Tretiach
The epiphytic lichen Pseudevernia furfuracea is widely used as biomonitor of airborne trace elements and other contaminants and consists of two taxonomic varieties (var. furfuracea and var. ceratea). Here, we assessed the occurrence of inter-varietal differences in the elemental composition of paired samples of var. furfuracea and var. ceratea collected in 20 remote sites of Italian mountains. The concentration of 40 elements was measured by inductively coupled plasma mass spectroscopy, after digestion with HNO3 and aqua regia...
January 29, 2017: Environmental Science and Pollution Research International
https://www.readbyqxmd.com/read/28130987/mapping-of-heavy-metal-pollution-in-river-water-at-daily-time-scale-using-spatio-temporal-fusion-of-modis-aqua-and-landsat-satellite-imageries
#13
Ratnakar Swain, Bhabagrahi Sahoo
For river water quality monitoring at 30m × 1-day spatio-temporal scales, a spatial and temporal adaptive reflectance fusion model (STARFM) is developed for estimating turbidity (Tu), total suspended solid (TSS), and six heavy metals (HV) of iron, zinc, copper, chromium, lead and cadmium, by blending the Moderate-Resolution Imaging Spectroradiometer (MODIS) and Landsat (Ls) spectral bands. A combination of regression analysis and genetic algorithm (GA) techniques are applied to develop spectral relationships between Tu-Ls, TSS-Tu, and each HV-TSS...
January 25, 2017: Journal of Environmental Management
https://www.readbyqxmd.com/read/28127419/towards-long-read-metagenomics-complete-assembly-of-three-novel-genomes-from-bacteria-dependent-on-a-diazotrophic-cyanobacterium-in-a-freshwater-lake-co-culture
#14
Connor B Driscoll, Timothy G Otten, Nathan M Brown, Theo W Dreher
Here we report three complete bacterial genome assemblies from a PacBio shotgun metagenome of a co-culture from Upper Klamath Lake, OR. Genome annotations and culture conditions indicate these bacteria are dependent on carbon and nitrogen fixation from the cyanobacterium Aphanizomenon flos-aquae, whose genome was assembled to draft-quality. Due to their taxonomic novelty relative to previously sequenced bacteria, we have temporarily designated these bacteria as incertae sedis Hyphomonadaceae strain UKL13-1 (3,501,508 bp and 56...
2017: Standards in Genomic Sciences
https://www.readbyqxmd.com/read/28124848/the-prevalence-of-grass-pollen-related-allergic-rhinoconjunctivitis-in-elite-amateur-irish-athletes
#15
M Grace, D Hunt, J O'B Hourihane
Allergic rhinoconjunctivitis (AR/C), has been shown to impact upon athletic performance. The championships of the unique, amateur Irish sports of hurling and Gaelic football (collectively known as GAA) take place during the prime pollen months of summer. Elite GAA players must perform optimally when most exposed to pollen. Elite GAA subjects (n=254) underwent skin prick testing to 6 aeroallergens and completed a validated questionnaire (AQUA), producing a score indicating likelihood of having allergy. The prevalence of allergy (positive to at least one aeroallergen on SPT and positive AQUA score) was 27...
September 9, 2016: Irish Medical Journal
https://www.readbyqxmd.com/read/28102695/application-of-modified-atmosphere-packaging-on-aquacultured-fish-and-fish-products-a-review
#16
Achilleas D Bouletis, Ioannis S Arvanitoyannis, Christos Hadjichristodoulou
Aquaculture industry has undergone a rapid and continuous growth during the last decade due to increased demands in seafood consumption and reduced pelagic fish production. Aquaculture sector can provide products with a consistent flow and quality standards to cover the market's needs. Modified atmosphere packaging (MAP) technique has evolved over the last two decades and many reports indicate its beneficial effect on many quality parameters during fish and shellfish preservation. The use of MAP can clearly offer an advantage to the safer distribution of quality aqua cultured fishery products...
January 19, 2017: Critical Reviews in Food Science and Nutrition
https://www.readbyqxmd.com/read/28098992/mechanistic-insights-into-tunable-metal-mediated-hydrolysis-of-amyloid-%C3%AE-peptides
#17
Jeffrey S Derrick, Jiwan Lee, Shin Jung C Lee, Yujeong Kim, Eunju Nam, Hyeonwoo Tak, Juhye Kang, Misun Lee, Sun Hee Kim, Kiyoung Park, Jaeheung Cho, Mi Hee Lim
An amyloidogenic peptide, amyloid-β (Aβ), has been implicated as a contributor to the neurotoxicity of Alzheimer's disease (AD) that continues to present a major socioeconomic burden for our society. Recently, the use of metal complexes capable of cleaving peptides has arisen as an efficient tactic for amyloid management; unfortunately, little has been reported to pursue this strategy. Herein, we report a novel approach to validate the hydrolytic cleavage of divalent metal complexes toward two major isoforms of Aβ (Aβ40 and Aβ42) and tune their proteolytic activity based on the choice of metal centers (M = Co, Ni, Cu, and Zn) which could be correlated to their anti-amyloidogenic properties...
January 18, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28098800/characterization-of-the-transcriptome-and-gene-expression-of-brain-tissue-in-sevenband-grouper-hyporthodus-septemfasciatus-in-response-to-nnv-infection
#18
Jong-Oh Kim, Jae-Ok Kim, Wi-Sik Kim, Myung-Joo Oh
Grouper is one of the favorite sea food resources in Southeast Asia. However, the outbreaks of the viral nervous necrosis (VNN) disease due to nervous necrosis virus (NNV) infection have caused mass mortality of grouper larvae. Many aqua-farms have suffered substantial financial loss due to the occurrence of VNN. To better understand the infection mechanism of NNV, we performed the transcriptome analysis of sevenband grouper brain tissue, the main target of NNV infection. After artificial NNV challenge, transcriptome of brain tissues of sevenband grouper was subjected to next generation sequencing (NGS) using an Illumina Hi-seq 2500 system...
January 13, 2017: Genes
https://www.readbyqxmd.com/read/28097767/robust-aqua-material-a-pressure-resistant-self-assembled-membrane-for-water-purification
#19
Erez Cohen, Haim Weissman, Eyal Shimoni, Ifat Kaplan-Ashiri, Kai Werle, Wendel Wohlleben, Boris Rybtchinski
"Aqua materials" that contain water as their major component and are as robust as conventional plastics are highly desirable. Yet, the ability of such systems to withstand harsh conditions, for example, high pressures typical of industrial applications has not been demonstrated. We show that a hydrogel-like membrane self-assembled from an aromatic amphiphile and colloidal Nafion is capable of purifying water from organic molecules, including pharmaceuticals, and heavy metals in a very wide range of concentrations...
January 18, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28088012/new-4-4-chlorophenyl-2-2-6-2%C3%A2-terpyridine-ruthenium-ii-complexes-synthesis-characterization-interaction-with-dna-bsa-and-cytotoxicity-studies
#20
Milan M Milutinović, Ana Rilak, Ioannis Bratsos, Olivera Klisurić, Milan Vraneš, Nevenka Gligorijević, Siniša Radulović, Živadin D Bugarčić
In this study, we have developed a series of new monofunctional Ru(II) complexes of the general formula mer-[Ru(Cl-Ph-tpy)(N-N)Cl]Cl in which Cl-Ph-tpy is 4'-(4-chlorophenyl)-2,2':6',2″-terpyridine, N-N is a bidentate chelating ligand (1,2-diaminoethane (en, 1), 1,2-diaminocyclohexane (dach, 2) or 2,2'-bipyridine (bpy, 3)). All complexes were fully characterized by elemental analysis and spectroscopic techniques (IR, UV-Vis, 1D and 2D NMR). Their chemical behavior in aqueous solution was studied by UV-Vis and NMR spectroscopy showing that all compounds are relatively labile leading to the formation of the corresponding aqua species 1aq-3aq...
October 14, 2016: Journal of Inorganic Biochemistry
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