Search results for "Hell"

showing 10 items of 1035 documents

Superparamagnetic recoverable flowerlike Fe3O4@Bi2O3 core–shell with g-C3N4 sheet nanocomposite: synthesis, characterization, mechanism and kinetic s…

2019

In the present research study, a simple method was developed for the synthesis of three-dimensional flowerlike Fe3O4@Bi2O3 core–shell with g-C3N4 sheet nanocomposites. The X-ray diffraction, Fourier transform infrared spectroscopy, scanning electronic microscopy, transmission electron microscope, vibrating sample magnetometer, dynamic laser scattering analyzer and UV–Vis diffuse reflection spectroscopy were employed for the characterization of structure, purity and morphology of the resultant samples. The degradation of indigo carmine as a model of organic dye pollutant is applied for photo-catalytic activity. The parameters which are affecting the efficiency of various parameters, such as;…

010302 applied physicsDiffractionNanocompositeMaterials scienceKineticsAnalytical chemistryElectronCondensed Matter Physics01 natural sciencesAtomic and Molecular Physics and OpticsElectronic Optical and Magnetic Materialsflowerlike Fe3O4@Bi2O3 core-shell g-C3N4 superparamagnetic photocatalysischemistry.chemical_compoundIndigo carminechemistryTransmission electron microscopySettore CHIM/03 - Chimica Generale E Inorganica0103 physical sciencesSettore CHIM/07 - Fondamenti Chimici Delle TecnologieElectrical and Electronic EngineeringFourier transform infrared spectroscopySuperparamagnetism
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Ab initio calculations of structural, electronic and vibrational properties of BaTiO3 and SrTiO3 perovskite crystals with oxygen vacancies

2020

The first-principles (ab initio) computations of the structural, electronic, and phonon properties have been performed for cubic and low-temperature tetragonal phases of BaTiO3 and SrTiO3 perovskite crystals, both stoichiometric and non-stoichiometric (with neutral oxygen vacancies). Calculations were performed with the CRYSTAL17 computer code within the linear combination of atomic orbitals approximation, using the B1WC advanced hybrid exchange-correlation functional of the density-functional-theory (DFT) and the periodic supercell approach. Various possible spin states of the defective systems were considered by means of unrestricted (open shell) DFT calculations. It was demonstrated that…

010302 applied physicsMaterials sciencePhysics and Astronomy (miscellaneous)Spin statesAb initioGeneral Physics and Astronomy01 natural sciencesMolecular physicsCondensed Matter::Materials Sciencesymbols.namesakeAb initio quantum chemistry methodsLinear combination of atomic orbitalsVacancy defect0103 physical sciencesPhysics::Atomic and Molecular Clusterssymbols010306 general physicsRaman spectroscopyOpen shellPerovskite (structure)Low Temperature Physics
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Role of the Open-Shell Character on the Pressure-Induced Conductivity of an Organic Donor-Acceptor Radical Dyad

2018

Single‐component conductors based on neutral organic radicals have received a lot of attention due to the possibility that the unpaired electron can serve as a charge carrier without the need of a previous doping process. Although most of these systems are based on delocalized planar radicals, we present here a nonplanar and spin localized radical based on a tetrathiafulvalene (TTF) moiety, linked to a perchlorotriphenylmethyl (PTM) radical by a conjugated bridge, which exhibits a semiconducting behavior upon application of high pressure. The synthesis, electronic properties, and crystal structure of this neutral radical TTF‐Ph‐PTM derivative (1) are reported and implications of its crystal…

010405 organic chemistryChemistryRadicalOrganic ChemistryGeneral ChemistryOrganic radical010402 general chemistry01 natural sciencesCatalysisDonor-acceptor3. Good health0104 chemical sciencesSingle-component conductorDelocalized electronchemistry.chemical_compoundCrystallographyUnpaired electronTetrathiafulvaleneCharge carrierIsostructuralElectronic band structureOpen shellPolychlorotriphenylmethylTetrathiafulvaleneChemistry - A European Journal
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Computational Study of the Effect of Glyoxal–Sulfate Clustering on the Henry’s Law Coefficient of Glyoxal

2014

We have used quantum chemical methods to investigate the molecular mechanism behind the recently reported ( Kampf , C. J. ; Environ. Sci. Technol . 2013 , 47 , 4236 - 4244 ) strong dependence of the Henry's law coefficient of glyoxal (C2O2H2) on the sulfate concentration of the aqueous phase. Although the glyoxal molecule interacts only weakly with sulfate, its hydrated forms (C2O3H4 and C2O4H6) form strong complexes with sulfate, displacing water molecules from the solvation shell and increasing the uptake of glyoxal into sulfate-containing aqueous solutions, including sulfate-containing aerosol particles. This promotes the participation of glyoxal in reactions leading to secondary organic…

010504 meteorology & atmospheric sciences010501 environmental sciences01 natural scienceschemistry.chemical_compoundComputational chemistryPressureMoleculeOrganic chemistryComputer SimulationPhysical and Theoretical ChemistrySulfateEquilibrium constant0105 earth and related environmental sciencesAerosolsAqueous solutionAtmosphereSulfatesAqueous two-phase systemWaterGlyoxalHenry's lawSolvation shellModels ChemicalchemistrySolventsGlyoxalThe Journal of Physical Chemistry A
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Unionid shells (Hyriopsis cumingii) record manganese cycling at the sediment-water interface in a shallow eutrophic lake in China (Lake Taihu)

2017

Abstract Aquatic eutrophication is becoming a serious environmental problem throughout the world. The utility of bivalves as bio-filters to improve water quality and reduce algal blooms has been widely acknowledged, but the potential usefulness of bivalve shells as retrospective monitors of eutrophication-induced environmental change has received little attention. Here, we present the first multi-year, high-resolution Mn/Ca shell records of the freshwater mussel, Hyriopsis cumingii (Lea, 1852) from a shallow eutrophic lake (Lake Taihu, China). Mn/Ca shell time-series of the two studied shells exhibit a high degree of synchrony after being placed in a precise temporal context by means of gro…

010504 meteorology & atmospheric sciencesEnvironmental changeAquatic ecosystemPaleontologyMussel010501 environmental sciencesOceanography01 natural sciencesAlgal bloomOceanographySediment–water interfaceWater qualityBivalve shellEutrophicationEcology Evolution Behavior and SystematicsGeology0105 earth and related environmental sciencesEarth-Surface ProcessesPalaeogeography, Palaeoclimatology, Palaeoecology
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Sr/Ca and Mg/Ca ratios of ontogenetically old, long-lived bivalve shells (Arctica islandica) and their function as paleotemperature proxies

2011

International audience; The Sr/Ca and Mg/Ca ratios of many biogenic skeletons provide useful paleotemperature estimates. As yet however, it has remained largely impossible to obtain such information from bivalve shells. In the present study, metal-to-calcium values in the hinge plate (aragonite, outer shell layer) of four ontogenetically old (85 to 374 year-old) specimens of the long-lived bivalve, Arctica islandica, were measured on a LA-ICP-MS. The shells were collected alive in 1868, 1986 and 2003 from three different localities around Iceland. With increasing ontogenetic age and decreasing growth rate, a distinct trend toward increasing Sr/Ca (max. 5.17 mmol/mol) and Mg/Ca values (max. …

010504 meteorology & atmospheric sciencesOntogenySea surface temperatureLongevityZoologyMineralogyAmbient waterengineering.materialSignificant negative correlation010502 geochemistry & geophysicsOceanography01 natural sciencesMetal-to-calcium ratioMole14. Life underwaterGrowth rateBivalve shellArctica islandicaEcology Evolution Behavior and Systematics0105 earth and related environmental sciencesEarth-Surface ProcessesVital effectbiologyAragonitePaleontologybiology.organism_classificationBivalve shell[SDE]Environmental Sciencesengineering
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Symbolic use of marine shells and mineral pigments by Iberian Neandertals 115,000 years ago.

2018

U-Th dating of archaeological deposits of Cueva de los Aviones provides evidence for Neandertal symbolism 115,000 years ago.

010506 paleontologyAquatic OrganismsMinerals060101 anthropologyMultidisciplinaryTime FactorsSciAdv r-articles06 humanities and the arts01 natural sciencesArchaeologyGeographyAnimal ShellsSpainMiddle PaleolithicAnthropologyAnimals0601 history and archaeologyThe SymbolicMiddle Stone AgeSymbolic behaviorResearch Articles0105 earth and related environmental sciencesAncestorNeanderthalsResearch ArticleScience advances
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Inter-site variability in the season of shellfish collection on the central coast of British Columbia

2013

High-resolution stable oxygen isotope analysis of the bivalve Saxidomus gigantea from shell midden sites was applied to identify seasonal patterns of resource procurement on the central coast of British Columbia, Canada. A total of 90 archaeological shells were examined from eight distinct sites spanning a 4500-year period. Combining micro-growth pattern analysis with high-resolution stable oxygen isotope sampling allows for a precise season of collection to be determined in estuarine bivalves recovered from archaeological sites. The results of the stable oxygen isotope analysis provide insights into seasonally structured harvest of S. gigantea (butter clam), which is associated with differ…

010506 paleontologyArcheology01 natural sciencesIsotopes of oxygenSclerochronologymedicine0601 history and archaeology14. Life underwaterComputingMilieux_MISCELLANEOUSShellfish0105 earth and related environmental sciencesgeographygeography.geographical_feature_category060102 archaeologybiologyEstuary06 humanities and the artsSeasonalitymedicine.diseasebiology.organism_classificationSaxidomus giganteaMiddenFisheryOceanography[SDE]Environmental SciencesPeriod (geology)GeologyJournal of Archaeological Science
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Seasonality and Intensity of Shellfish Harvesting on the North Coast of British Columbia

2013

ABSTRACT Biogeochemical and growth increment analyses show contrasting seasonal patterns of butter clam collection and rates of harvest intensity between archaeological shell midden sites from the Dundas Islands archipelago and the mainland coast in Prince Rupert Harbour, northern British Columbia. Growth increment analysis shows more intensive clam harvest in the Dundas Islands in comparison to the residential sites in Prince Rupert Harbour. Stable oxygen isotope analysis shows multi-seasonal collection of clams in the Dundas Islands and a more seasonally specific emphasis in Prince Rupert Harbour. Comparison of these results to those of similar studies in the Namu region on the central co…

010506 paleontologyArcheologyHistoryBiogeochemical cycleanimal structuresOceanography01 natural sciencesmedicine0601 history and archaeology14. Life underwaterShellfishComputingMilieux_MISCELLANEOUS0105 earth and related environmental sciencescomputer.programming_languageIsotope analysisgeography.geographical_feature_category060102 archaeologyEcology06 humanities and the artsSeasonalitymedicine.diseaseMiddenFisheryGeographyOceanographyHarbourArchipelago[SDE]Environmental Sciencescomputer
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REFINING ESTIMATES FOR THE SEASON OF SHELLFISH COLLECTION ON THE PACIFIC NORTHWEST COAST: APPLYING HIGH-RESOLUTION STABLE OXYGEN ISOTOPE ANALYSIS AND…

2012

Stable oxygen isotopes from estuarine bivalve carbonate from Saxidomus gigantea were analysed combined with high-resolution sclerochronology from modern and archaeological shells from British Columbia, Canada, to determine the seasonality of shellfish collection from the archaeological site of Namu. The combination of high-resolution sclerochronology and a micro-milled sampling strategy for δ18O analysis permits a precise estimate of archaeological seasonality, because seasonal freshwater influxes and changes in temperature have dual effects on the δ18O value of the shell. Sclerochronological analysis identifies the timing and duration of growth that is temporally aligned to stable oxygen i…

010506 paleontologyArcheologyHistorygeographygeography.geographical_feature_category060102 archaeologybiologyδ18OEstuary06 humanities and the artsSeasonalitybiology.organism_classificationmedicine.disease01 natural sciencesSaxidomus giganteaIsotopes of oxygenOceanographySclerochronologymedicine0601 history and archaeology14. Life underwaterShellfishHoloceneGeology0105 earth and related environmental sciencesArchaeometry
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