Search results for "init"

showing 10 items of 6629 documents

Dynamics of particulate major and trace elements in the lower reaches of the Daugava River and adjacent area of the Gulf of Riga (Baltic Sea).

2004

Suspended particulate matter (SPM) was collected in the freshwater-seawater mixing zone in the lower reaches of the Daugava River (Latvia) and adjacent marine area, during five cruises in 1998-2001. The study focused on biogeochemical phase exchange processes. SPM in the freshwater was found to be mainly allochthonous with a high content of organic matter, Mn and sorbed phosphate. Property-salinity plots suggested flocculation of humic-Fe complexes across the salinity gradient. The variability of sorbed phosphate was related to particulate Fe, although no dependence on pH and ionic strength was observed. The Mn contents of SPM mainly follow conservative mixing, but there are also indication…

Baltic StatesBiogeochemical cycleFresh WaterAquatic ScienceOceanographyPhosphatesRiversPhytoplanktonWater MovementsOrganic matterSeawaterParticle Sizechemistry.chemical_classificationHydrologygeographygeography.geographical_feature_categoryTrace elementBiogeochemistryFlocculationEstuaryParticulatesHydrogen-Ion ConcentrationPollutionTrace ElementsSalinitychemistryEnvironmental chemistryEnvironmental scienceSeasonsEnvironmental MonitoringMarine pollution bulletin
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Bioaccumulation of hepatotoxins : A considerable risk in the Latvian environment

2014

Abstract The Gulf of Riga, river Daugava and several interconnected lakes around the City of Riga, Latvia, form a dynamic brackish-freshwater system favouring occurrence of toxic cyanobacteria. We examined bioaccumulation of microcystins and nodularin-R in aquatic organisms in Latvian lakes, the Gulf of Riga and west coast of open Baltic Sea in 2002–2007. The freshwater unionids accumulated toxins efficiently, followed by snails. In contrast, Dreissena polymorpha and most lake fishes (except roach) accumulated much less hepatotoxins. Significant nodularin-R concentrations were detected also in marine clams and flounders. No transfer of nodularin-R and microcystins between lake and brackish …

Baltic StatesCyanobacteriatoksiinitHealth Toxicology and Mutagenesishealth risksFresh WaterFlounderToxicologyWater columnWater Pollutantsta116riskitkalatbiologyEcologyFishesHepatotoxinGeneral Medicineta3142selkärangattomatPollutionRiianlahtibioaccumulationBioaccumulationmaksamyrkytEnvironmental MonitoringmyrkytMicrocystinsOceans and SeasBacterial Toxinsta1172hepatotoxinsCyanobacteriaPeptides CyclicDreissenaAquatic organismsAnimalsInvertebratefishBrackish waterbiology.organism_classificationinvertebratessimpukatLatviaBivalviaFisheryLakesItämerikertyminenEnvironmental scienceterveysriskitEnvironmental Pollution
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Ab initio calculations of the atomic and electronic structure of BaZrO3 (111) surfaces

2013

Abstract The paper presents and discusses the results of calculations of surface relaxations and energetics for the polar (111) surface of BaZrO 3 using a hybrid B3LYP description of exchange and correlation. On the (111) surface, both Zr- and BaO 3 -terminations were analyzed. For both Zr and BaO 3 -terminated BaZrO 3 (111) surface upper layer atoms, with the sole exception of BaO 3 -terminated surface Ba atoms, relax inwards. The Zr-terminated BaZrO 3 (111) surface second layer Ba atoms exhibit the strongest relaxation between all Zr and BaO 3 -terminated BaZrO 3 (111) surface atoms. The calculated surface relaxation energy for Zr-terminated BaZrO 3 (111) surface is almost fifteen times l…

Band gapAb initio quantum chemistry methodsChemistryRelaxation (NMR)Ab initioGeneral Materials ScienceGeneral ChemistrySurface phononElectronic structureAtomic physicsCondensed Matter PhysicsSurface energySurface statesSolid State Ionics
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Structural and electronic properties of β-NaYF4 and β-NaYF4:Ce3+

2020

AP is indebted for a financial support provided by Scientific Research Project grant for Students and Young Researchers Nr. SJZ/2017/3 sponsored at the Institute of Solid State Physics, University of Latvia , while AIP is thankful for the financial support from Latvian Research Council lzp-2018/1-0214 .

Band gapAb initio02 engineering and technologyCrystal structure010402 general chemistry01 natural sciencesMolecular physicsIonInorganic ChemistryLattice constantDoping:NATURAL SCIENCES:Physics [Research Subject Categories]Electrical and Electronic EngineeringPhysical and Theoretical ChemistrySpectroscopyPhysicsab initioOrganic ChemistrySpace group021001 nanoscience & nanotechnologyRare earth luminescencerAtomic and Molecular Physics and Optics0104 chemical sciencesElectronic Optical and Magnetic MaterialsLinear combination of atomic orbitalsDensity functional theoryDefects0210 nano-technologyOptical Materials
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First principles calculations of SrZrO3 bulk and ZrO2-terminated (001) surface F centers

2016

Abstract Using a supercell model and B3PW hybrid exchange-correlation functional in the framework of the density functional theory (DFT), as it is implemented in the CRYSTAL computer code, we performed ab initio calculations for the F -center located in the SrZrO 3 bulk and on the ZrO 2 -terminated (001) surface. According to the results of performed relaxation of atoms around the defect, two nearest Zr and four Sr atoms are repulsed, but all oxygen atoms are attracted towards both, the bulk and (001) surface F -center. The displacement magnitudes of atoms surrounding the bulk F -center are smaller than around the (001) surface F -center. The B3PW calculated SrZrO 3 bulk optical band gap (5…

Band gapChemistryMaterials Science (miscellaneous)Ab initioBulk F center02 engineering and technology021001 nanoscience & nanotechnologyCondensed Matter Physics01 natural sciencesSrZrO3Electronic Optical and Magnetic Materials(001) surface F-CenterCrystalChemical bondAb initio quantum chemistry methodsVacancy defect0103 physical sciencesMaterials ChemistryDensity functional theoryAb initio calculationsAtomic physics010306 general physics0210 nano-technologyPerovskite (structure)Computational Condensed Matter
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A large-energy-gap oxide topological insulator based on the superconductor BaBiO3

2013

Mixed-valent perovskite oxides based on BaBiO3 (BBO) are, like cuperates, well-known high-Tc superconductors. Recent ab inito calculations have assigned the high-Tc superconductivity to a correlation-enhanced electron--phonon coupling mechanism, stimulating the prediction and synthesis of new superconductor candidates among mixed-valent thallium perovskites. Existing superconductivity has meant that research has mainly focused on hole-doped compounds, leaving electron-doped compounds relatively unexplored. Here we demonstrate through ab inito calculations that BBO emerges as a topological insulator (TI) in the electron-doped region, where the spin-orbit coupling (SOC) effect is significant.…

Band gapTopological degeneracyAb initioOxideGeneral Physics and AstronomyFOS: Physical sciences02 engineering and technology01 natural sciencesSuperconductivity (cond-mat.supr-con)Condensed Matter::Materials Sciencechemistry.chemical_compoundCondensed Matter::Superconductivity0103 physical sciencesTopological orderPhysics::Chemical Physics010306 general physicsCondensed Matter::Quantum GasesPhysicsSuperconductivityCondensed Matter - Materials ScienceCondensed matter physicsCondensed Matter - SuperconductivityDopingMaterials Science (cond-mat.mtrl-sci)021001 nanoscience & nanotechnologychemistryTopological insulatorCondensed Matter::Strongly Correlated Electrons0210 nano-technologyNature Physics
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Electron delocalization in mixed-valence Keggin polyoxometalates. Ab initio calculation of the local effective transfer integrals and its consequence…

2002

We present a quantitative evaluation of the influence of the electron transfer on the magnetic properties of mixed-valence polyoxometalates reduced by two electrons. For that purpose, we extract from valence-spectroscopy ab initio calculations on embedded fragments the value of the transfer integrals between W nearest-neighbor atoms in a mixed-valence alphaPW(12)O(40) polyoxowolframate Keggin anion. In contradiction with what is usually assumed, we show that the electron transfer between edge-sharing and corner-sharing WO(6) octahedra have very close values. Considering fragments of various ranges, we analyze the accuracy of calculations on fragments based on only two WO(5) pyramids which s…

Band gapelectron delocalizationAb initioElectronic structureElectron010402 general chemistry01 natural sciencesBiochemistryMolecular physicsCatalysisIonElectron transferColloid and Surface ChemistryAb initio quantum chemistry methodsComputational chemistrypolyoxometalesmixed-valenceValence (chemistry)010405 organic chemistryChemistryGeneral MedicineGeneral ChemistryConfiguration interaction0104 chemical sciencesmagnetismDiamagnetism[PHYS.COND.CM-SCE]Physics [physics]/Condensed Matter [cond-mat]/Strongly Correlated Electrons [cond-mat.str-el]
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Improving accuracy of FIR filters for computing convolution transforms for smooth non-bandlimited signals

2019

We propose to improve the accuracy of FIR filters for computing convolution transforms for smooth non-bandlimited (NBL) signals by designing filters by the identification method with using a pair of bandlimited portions of the chosen NBL input and output signals related with each other by the given transform. A design example of type IV linear phase differentiator is presented, where filter coefficients are calculated from the bandlimited portions of the Cauchy pulse and its derivative. The performance of the designed differentiator is evaluated by comparing the accuracy of computed derivatives for several smooth NBL test signals, such as the Cauchy pulse, the Hilbert transform of Cauchy pu…

Bandlimiting020303 mechanical engineering & transports0203 mechanical engineeringFinite impulse responseComputer sciencelcsh:TA1-2040021105 building & construction0211 other engineering and technologies02 engineering and technologylcsh:Engineering (General). Civil engineering (General)AlgorithmConvolutionMATEC Web of Conferences
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Atypical bartonella henselae neuroretinitis in an immunocompetent patient

2014

We report a case of a 57-year-old immunocompetent male, admitted to our Department due to the loss of visual acuity to the right eye, occurred during the two weeks before the hospitalization, and hyperglycaemia. Our patient suffered from metabolic syndrome, characterized by visceral obesity, impaired glucose tolerance, arterial hypertension, complicated by proteinuria, and moderate grade hypertensive retinopathy. Surprisingly, and despite its many comorbidities, the final diagnosis was neuroretinitis by Bartonella henselae, without any other symptoms/signs of cat-scratch disease. The patient denied any kind of contact with cats. He was cured by specific antibiotic therapy, restoring status …

Bartonella henselaeSettore MED/09 - Medicina Internaneuroretinitis
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Numerical modelling of the tensile behaviour of BFRCM strips

2019

This paper aims at investigating the tensile behaviour of basalt fibres on cementitious matrix for the strengthening of masonry structures. The use of Basalt Fibre Reinforced Cementitious Matrix (BFRCM) is favourably considered by the scientific community because it represents a natural composite material with high compatibility with stone and masonry substrate. The study is developed through the generation of Finite Element (FE) models capable of reproducing the tensile behaviour of BFRCM strips with different number of layers of grid. For the scope, the micro-modelling approach is adopted assuming different levels of detail for the simulation of the interface constitutive behaviour. Fibre…

Basalt GridFinite Element ModellingBasalt Grid Damage Finite Element Modelling FRCM Interface Tensile behaviourTensile behaviourMaterials scienceInterface (Java)Mechanical EngineeringBasalt Grid; Damage; Finite Element Modelling; FRCM; Interface; Tensile behaviour02 engineering and technologySTRIPSInterface021001 nanoscience & nanotechnologyFRCMlaw.invention020303 mechanical engineering & transportsDamage0203 mechanical engineeringMechanics of MaterialslawUltimate tensile strengthGeneral Materials ScienceComposite material0210 nano-technology
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