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Pablo Jiménez-Lozano, Albert Solé-Daura, Georges Wipff, Josep M Poblet, Alain Chaumont, Jorge J Carbó
The mechanism by which Zr-substituted and other transition metal-substituted polyoxometalates (POMs) form covalently linked dimers has been analyzed by means of static density functional theory (DFT) calculations with a continuous solvent model as well as Car-Parrinello molecular dynamics (CPMD) simulations with explicit solvent molecules. The study includes different stages of the process: the formation of the active species by alkalination of the solution and formation of intercluster linkages. CPMD simulations show that the Zr-triaqua precursor, [W5O18Zr(H2O)3](2-), under basic conditions, reacts with hydroxide anions to form Zr-aqua-hydroxo active species, [W5O18Zr(OH)(H2O)](3-)...
March 20, 2017: Inorganic Chemistry
Meifang Liu, Jianjun Zhao, Xiaoyi Guo, Zhengxiang Zhang, Gang Tan, Jihong Yang
Grassland fire is one of the most important disturbance factors of the natural ecosystem. Climate factors influence the occurrence and development of grassland fire. An analysis of the climate conditions of fire occurrence can form the basis for a study of the temporal and spatial variability of grassland fire. The purpose of this paper is to study the effects of monthly time scale climate factors on the occurrence of grassland fire in HulunBuir, located in the northeast of the Inner Mongolia Autonomous Region in China...
March 17, 2017: Sensors
Alicja Kicińska, Piotr Bożęcki
The authors present the results of chemical and mineralogical analyses of urban dusts collected in the spring seasons of 2015 and 2016 in three different parks of the Cracow agglomeration. The parks are located in the city centre, in the Nowa Huta industrial district and in a new housing development situated around 9 km west of the city centre. Mineralogical instrumental analyses included the SEM, FTIR and XRD methods and revealed that the dusts of Cracow are highly amorphous and contain significant amounts of hydrocarbons, whereas quartz, feldspars, kaolinite and gypsum are their crystalline phases...
March 14, 2017: Environmental Geochemistry and Health
Niranjan Nitin Parulekar, Pandurang Kolekar, Andrew Jenkins, Synne Kleiven, Hans Utkilen, Anette Johansen, Sangeeta Sawant, Urmila Kulkarni-Kale, Mohan Kale, Mona Sæbø
Interactions between different phytoplankton taxa and heterotrophic bacterial communities within aquatic environments can differentially support growth of various heterotrophic bacterial species. In this study, phytoplankton diversity was studied using traditional microscopic techniques and the bacterial communities associated with phytoplankton bloom were studied using High Throughput Sequencing (HTS) analysis of 16S rRNA gene amplicons from the V1-V3 and V3-V4 hypervariable regions. Samples were collected from Lake Akersvannet, a eutrophic lake in South Norway, during the growth season from June to August 2013...
2017: PloS One
Claudia Lindemann, Nikolas Thomanek, Franziska Christine Hundt, Thilo Lerari, Helmut E Meyer, Dirk Wolters, Katrin Marcus
Quantitative mass spectrometry approaches are used for absolute and relative quantification in global proteome studies. Up to date different relative and absolute quantification techniques are available that differ in quantification accuracy, proteome coverage, complexity and robustness. This review focuses on most common relative or absolute quantification strategies exemplified by three experimental studies. A label-free relative quantification approach was performed for the investigation of the membrane proteome of sensory cilia to the depth of olfactory receptors in Mus musculus...
March 7, 2017: Biological Chemistry
Wolfram W Rudolph, Gert Irmer
Raman spectra of aqueous La(3+), Ce(3+), Pr(3+), Nd(3+) and Sm(3+) - perchlorate solutions were measured and weak strongly polarized Raman bands were detected at 343 cm(-1), 344 cm(-1), 347 cm(-1), 352 cm(-1) and 363 cm(-1), respectively. The full width at half height for these bands is quite broad (∼50 cm(-1)) in the isotropic spectrum and the band width increases with increasing solute concentration. The polarized Raman bands were assigned to the breathing modes of the nona-aqua ions of the mentioned rare earth ions...
March 10, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
Liling Mei, Yecheng Xie, Hui Jing, Ying Huang, Jintian Chen, Hao Ran, Xin Pan, Chuanbin Wu
Cubosomes have been presented to enhance dissolution of insoluble drugs, but their applications are limited by the practical hurdles associated with both preparation and storage instability, resulting in drug delivery failure. In the present study, an innovative cubosome precursor-microparticles (CPMs) spray dried from an aqua-free precursor solution was developed to improve cubosome stability during both preparation and storage as well as to enhance the dissolution of insoluble drugs. These CPMs spontaneously self-assembled in situ forming homogeneous cubosome dispersion by hydration and disintegration after exposure to the aqueous medium...
March 9, 2017: Drug Development and Industrial Pharmacy
Lauren M Moore, Allison England, Barbara E Ehrlich, David L Rimm
Neuronal Calcium Sensor 1 (NCS1) is a multi-functional Ca2+-binding protein that affects a range of cellular processes beyond those related to neurons. Functional characterization of NCS-1 in neuronal model systems suggests that NCS-1 may influence oncogenic processes. To this end, the biological role of NCS-1 was investigated by altering its endogenous expression in MCF-7 and MB-231 breast cancer (BCa) cells. Overexpression of NCS-1 resulted in a more aggressive tumor phenotype demonstrated by a marked increase in invasion and motility, and a decrease in cell-matrix adhesion to collagen IV...
March 8, 2017: Molecular Cancer Research: MCR
Oliver Krüger, Christian Adam
The importance of secondary raw materials for phosphorus (P) fertilizer production is expected to increase in the future due to resource depletion, supply risks, and heavy metal contamination of fossil phosphate resources. Municipal wastewater is a promising source for P recovery. In Germany for instance, it contains almost 50% of the total amount of P that is currently applied as mineral fertilizer. Several procedures have been developed to recover and re-use P resulting in a growing number of recycling fertilizers that are currently not regulated in terms of fertilizer efficiency...
March 5, 2017: Environmental Research
Craig C McLauchlan, Jan Florián, Daniel S Kissel, Albert W Herlinger
The synthesis and characterization of N,N'-bis(2-pyridylmethyl)-trans-1,2-diaminocyclohexane-N,N'-diacetic acid (H2bpcd) cationic complexes of La(III), Nd(III), and Sm(III) are reported. The Ln(III)-bpcd(2-) complex ions, where bpcd(2-) stands for N,N'-bis(2-pyridylmethyl)-trans-1,2-diaminocyclohexane-N,N'-diacetate, were isolated as PF6(-) salts. These salts were characterized by elemental analysis, X-ray crystallography, IR, and (1)H and (13)C NMR spectroscopy. Binuclear [La2(bpcd)2(H2O)2](2+) crystallized from an aqueous solution in the monoclinic P21/c space group as a cocrystallate with Na2bpcd and NaPF6, nominally Na2...
March 7, 2017: Inorganic Chemistry
Meixian Wang, Yuxuan Zhang, Peiyong Guo
Florfenicol (FF) and thiamphenicol (TAP) are two typical pharmaceuticals used widely as therapeutica antibiotic agents in aquaculture. However, little is known about the potential adverse effects of these two antibiotics on non-target organisms in the aquatic ecosystem. In this study we investigated the effects of FF and TAP on photosynthesis and the antioxidant system of the cyanobacteria Microcystis flos-aquae. Over a concentration range of 0.001-1μg/L, the results showed that both FF and TAP significantly increased the chlorophyll a content of M...
February 22, 2017: Aquatic Toxicology
Anna Enblom, Martin Wicher, Therese Nordell
This study assessed health-related quality of life (HRQoL) and musculoskeletal function in patients with musculoskeletal disorders after participation in group-based aqua-exercising, compared to before participation. Physiotherapists instructed group-based aqua-exercising for 30 min twice a week for 8 weeks in 39 patients (81% women, mean age 55 ± 12 years), with musculoskeletal disorders located in the back (28%), neck (17%), general myalgia (21%), lower extremities (9%), shoulder (7%) and multiple/other regions (18%)...
October 1, 2016: European Journal of Physiotherapy
Audrey Roy-Lachapelle, Morgan Solliec, Maryse F Bouchard, Sébastien Sauvé
Algae dietary supplements are marketed worldwide as natural health products. Although their proprieties have been claimed as beneficial to improve overall health, there have been several previous reports of contamination by cyanotoxins. These products generally contain non-toxic cyanobacteria, but the methods of cultivation in natural waters without appropriate quality controls allow contamination by toxin producer species present in the natural environment. In this study, we investigated the presence of total microcystins, seven individual microcystins (RR, YR, LR, LA, LY, LW, LF), anatoxin-a, dihydroanatoxin-a, epoxyanatoxin-a, cylindrospermopsin, saxitoxin, and β-methylamino-l-alanine in 18 different commercially available products containing Spirulina or Aphanizomenon flos-aquae...
February 25, 2017: Toxins
Héctor J Lozano, Natalia Busto, Gustavo Espino, Arancha Carbayo, José M Leal, James A Platts, Begoña García
In this work, we report experimental and computational evidence for the intercalation into the DNA base-pairs of the free quinones quinizarin (Q) and naphthazarin (N) and the interstrand covalent binding of their p-cymene di-ruthenium(ii) complexes (Cl2Ru2X, with X = N, Q bridging ligands). The intercalation extent for the N complex was larger than that for Q, which is in good agreement with the higher relative contour length and melting temperature for the same CX/CDNA ratio and with the computational mean stacking distances between the ligand and the nearest base-pair (3...
March 14, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
Janina Kuduk-Jaworska, Jerzy J Jański, Szczepan Roszak
The results of computational simulation of reaction courses mimicking the transformation of carboplatin from pro-drug into its active shape, responsible for cytotoxic effect, are reported. Implementing the density functional theory (DFT) calculations and the supermolecular approach, we explored the pathways representing two disparate models of carboplatin bioactivation: (1) based on paradigm of carboplatin aquation, and (2) based on new hypothesis that transformation is controlled by electron-transfer processes...
February 11, 2017: Journal of Inorganic Biochemistry
Benjamin Holt, Rebecca Trinh, Michelle M Gierach
Stormwater runoff is the largest source of pollution in the Southern California Bight (SCB), resulting from untreated runoff and pollutants from urban watersheds entering the coastal waters after rainstorms. We make use of both satellite SAR and MODIS-Aqua ocean color imagery to examine two different components of runoff plumes, the surface slick and the sediment discharge. We expand on earlier satellite SAR studies by examining an extensive collection of multi-platform SAR imagery, spanning from 1992 to 2014, that provides a more comprehensive view of the plume surface slick characteristics, illustrated with distribution maps of the extent and flow direction of the plumes...
February 23, 2017: Marine Pollution Bulletin
Ekaterina Chernova, Sergey Sidelev, Iana Russkikh, Ekaterina Voyakina, Olga Babanazarova, Roman Romanov, Anton Kotovshchikov, Hanna Mazur-Marzec
Last decades, cyanobacterial blooms have been commonly reported in Russia. Among the boom-forming species, potential toxin producers have been identified. The aim of this paper was to study the presence of neurotoxic compounds - saxitoxins and anatoxin-a - in water bodies from different regions of Russia. We also made attempts to identify the neurotoxin-producing genera. The good convergence of the results obtained by light microscopy, PCR and LC-MS/MS analyses indicated the presence of active neurotoxin producing species in all investigated water bodies...
February 21, 2017: Toxicon: Official Journal of the International Society on Toxinology
Kelly E Moore, Julia S Benoit, David A Berntsen
PURPOSE: Peripheral retinal defocus has been implicated in myopia progression. The effect of commercially available spherical soft contact lenses (SCLs) on peripheral defocus of adult myopic eyes was investigated. METHODS: Twenty-five young adults with spherical equivalent (SE) refractions between -0.50D and -6.00D were enrolled. Cycloplegic autorefraction (right eye) was measured centrally and ±20°, ±30°, and ±40° from the line of sight along the horizontal meridian using an autorefractor...
March 2017: Optometry and Vision Science: Official Publication of the American Academy of Optometry
Thaiane Gregório, Siddhartha O K Giese, Giovana G Nunes, Jaísa F Soares, David L Hughes
Two new mononuclear cationic complexes in which the Tb(III) ion is bis-chelated by the tripodal alcohol 1,1,1-tris-(hy-droxy-meth-yl)propane (H3L(Et), C6H14O3) were prepared from Tb(NO3)3·5H2O and had their crystal and mol-ecular structures solved by single-crystal X-ray diffraction analysis after data collection at 100 K. Both products were isolated in reasonable yields from the same reaction mixture by using different crystallization conditions. The higher-symmetry complex dinitratobis[1,1,1-tris-(hy-droxy-meth-yl)propane]-terbium(III) nitrate di-meth-oxy-ethane hemisolvate, [Tb(NO3)2(H3L(Et))2]NO3·0...
February 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
Graham Smith, Urs D Wermuth
The structures of the alkali metal (K, Rb and Cs) complex salts with 4-amino-phenyl-arsonic acid (p-arsanilic acid) manifest an isotypic series with the general formula [M2(C6H7AsNO3)2(H2O)3], with M = K {poly[di-μ3-4-amino-phenyl-arsonato-tri-μ2-aqua-dipotassium], [K2(C6H7AsNO3)2(H2O)3], (I)}, Rb {poly[di-μ3-4-amino-phenyl-arsonato-tri-μ2-aqua-dirubidium], [Rb2(C6H7AsNO3)2(H2O)3], (II)}, and Cs {poly[di-μ3-4-amino-phenyl-arsonato-tri-μ2-aqua-dirubidium], [Cs2(C6H7AsNO3)2(H2O)3], (III)}, in which the repeating structural units lie across crystallographic mirror planes containing two independent and different metal cations and a bridging water mol-ecule, with the two hydrogen p-arsanilate ligands and the second water mol-ecule lying outside the mirror plane...
February 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
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