Search results for "Spectroscopy"

showing 10 items of 10293 documents

Conformational Dynamics of the Dengue Virus Protease Revealed by Fluorescence Correlation and Single-Molecule FRET Studies.

2021

The dengue virus protease (DENV-PR) represents an attractive target for counteracting DENV infections. It is generally assumed that DENV-PR can exist in an open and a closed conformation and that active site directed ligands stabilize the closed state. While crystal structures of both the open and the closed conformation were successfully resolved, information about the prevalence of these conformations in solution remains elusive. Herein, we address the question of whether there is an equilibrium between different conformations in solution which can be influenced by addition of a competitive inhibitor. To this end, DENV-PR was statistically labeled by two dye molecules constituting a FRET …

virusesFluorescence correlation spectroscopyCrystal structureDengue virusViral Nonstructural Proteins010402 general chemistrymedicine.disease_cause01 natural sciencesCatalytic Domain0103 physical sciencesMaterials ChemistrymedicineFluorescence Resonance Energy TransferMoleculePhysical and Theoretical Chemistry010304 chemical physicsbiologyChemistrySerine EndopeptidasesActive siteSingle-molecule FRETDengue VirusFluorescence0104 chemical sciencesSurfaces Coatings and FilmsFörster resonance energy transferbiology.proteinBiophysicsThe journal of physical chemistry. B
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STAT1 and Its Crucial Role in the Control of Viral Infections

2022

The signal transducer and activator of transcription (STAT) 1 protein plays a key role in the immune response against viruses and other pathogens by transducing, in the nucleus, the signal from type I, type II and type III IFNs. STAT1 activates the transcription of hundreds of genes, some of which have been well characterized for their antiviral properties. STAT1 gene deletion in mice and complete STAT1 deficiency in humans both cause rapid death from severe infections. STAT1 plays a key role in the immunoglobulin class-switch recombination through the upregulation of T-bet; it also plays a key role in the production of T-bet+ memory B cells that contribute to tissue-resident humoral memory…

virusesVirus ReplicationAntiviral Agentsimmune responseCatalysisInorganic ChemistryMiceSTAT1AnimalsHumansPhysical and Theoretical ChemistryMolecular BiologySpectroscopyAntiviral AgentAnimalSARS-CoV-2Virus Diseases.Organic ChemistryCOVID-19General MedicineComputer Science ApplicationsSTAT1 Transcription FactorVirus DiseasesInterferonviral infectionHumanInternational Journal of Molecular Sciences
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Micro-determination of dithiocarbamates in pesticide formulations using voltammetry

2013

Abstract The purpose of this work was to develop a reliable method for the micro-determination of dithiocarbamates (mancozeb, maneb, propineb, nabam, Na(CH3)2DTC, zineb, ziram, ferbam and thiram) in pesticide formulations for agriculture using adsorptive stripping voltammetry (AdSV). The accuracy of analytical method was valued by analyzing simulate formulation samples prepared by us with known amounts of active ingredients. In addition, the applicability of the AdSV procedure for the analysis of DTCs and EBDTCs in micro-samples was evaluated by estimating its recoveries from spiked commercial formulate samples. The accuracy, valuated as recovery percentage ranged between 85% and 97%. The p…

voltammetryZiramChromatographyThiramManebformulationPesticideSettore CHIM/12 - Chimica Dell'Ambiente E Dei Beni CulturaliAnalytical Chemistrydithiocarbamatechemistry.chemical_compoundchemistryZinebAdsorptive stripping voltammetrySettore CHIM/01 - Chimica AnaliticaMancozebVoltammetryMicro determinationpesticideSpectroscopyMicrochemical Journal
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Voltammetric determination of platinum in perfusate and blood: Preliminary data on pharmacokinetic study of arterial infusion with oxaliplatin

2012

Abstract Because Platinum Group Elements have found widespread use in catalytic converters in cars and as chemotherapeutic agent, interest in the development of reliable analytical methods is carried out in order to monitor these analita in humans to protect the citizen's health. Considering that information on the levels of many trace elements in biological matrices is scarce and for many non-essential elements, baseline levels in the population, and especially in those particularly exposed to the risk are lacking, in this paper we optimize an analytical method for biological matrices, using a voltammetric technique to measure the concentration of Pt in blood and perfusate. The amount of P…

voltammetryeducation.field_of_studyChromatographyPopulationAnalytical chemistryPtchemistry.chemical_elementBiological materialsAnalytical ChemistryOxaliplatinchemistryPharmacokineticsbloodperfusatemedicineSettore CHIM/01 - Chimica AnaliticaIn patientPlatinumeducationVoltammetrySpectroscopyTarget organmedicine.drugMicrochemical Journal
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Mechanisms of irreversible aquaporin-10 inhibition by organogold compounds studied by combined biophysical methods and atomistic simulations

2021

Abstract The inhibition of glycerol permeation via human aquaporin-10 (hAQP10) by organometallic gold complexes has been studied by stopped-flow fluorescence spectroscopy, and its mechanism has been described using molecular modelling and atomistic simulations. The most effective hAQP10 inhibitors are cyclometalated Au(III) C^N compounds known to efficiently react with cysteine residues leading to the formation of irreversible C–S bonds. Functional assays also demonstrate the irreversibility of the binding to hAQP10 by the organometallic complexes. The obtained computational results by metadynamics show that the local arylation of Cys209 in hAQP10 by one of the gold inhibitors is mapped int…

waterBiophysicsGlycerol transportirreversible inhibitorsMolecular Dynamics SimulationAquaporinsBiochemistryBiophysical PhenomenaFluorescence spectroscopymetadynamicsBiomaterialsMolecular dynamicsGold CompoundsComputational chemistrygold compoundsHumansOrganogold CompoundsChemistryglycerol transportMetals and AlloysMetadynamicsPermeationSmall moleculeSpectrometry FluorescenceChemistry (miscellaneous)aquaglyceroporinOrganogold Compounds
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Wykorzystanie sztucznej sieci neuronowej do diagnostyki związków chemicznych przy pomocy ich widm w podczerwieni

2013

W artykule przedstawiono możliwości zastosowania sztucznej sieci neuronowej w identyfikacji związków chemicznych metodą tzw. „odcisku palca” oraz opisano budowę opracowanego specjalnie do tego celu narzędzia z wykorzystaniem SSN, jak też sprecyzowano wymogi, jakie muszą być spełnione do jej poprawnego funkcjonowania.

widmaspectroscopysztuczne sieci neuronowespektroskopiainfraredidentificationidentyfikacjapodczerwieńartificial neural networksspectrumMeasurement Automation and Monitoring
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The Large Observatory For x-ray Timing

2014

The Large Observatory For x-ray Timing (LOFT) was studied within ESA M3 Cosmic Vision framework and participated in the final down-selection for a launch slot in 2022-2024. Thanks to the unprecedented combination of effective area and spectral resolution of its main instrument, LOFT will study the behaviour of matter under extreme conditions, such as the strong gravitational field in the innermost regions of accretion flows close to black holes and neutron stars, and the supra-nuclear densities in the interior of neutron stars. The science payload is based on a Large Area Detector (LAD, 10 m 2 effective area, 2-30 keV, 240 eV spectral resolution, 1 deg collimated field of view) and a WideFi…

x-ray and γ-ray instrumentationcompact objects; microchannel plates; X-ray detectors; X-ray imaging; X-ray spectroscopy; X-ray timing; Electronic Optical and Magnetic Materials; Condensed Matter Physics; Computer Science Applications1707 Computer Vision and Pattern Recognition; Applied Mathematics; Electrical and Electronic EngineeringVisionX-ray timingObservatoriesField of view01 natural sciences7. Clean energyneutron starsObservatory010303 astronomy & astrophysicsPhysicsEquipment and servicesApplied MathematicsAstrophysics::Instrumentation and Methods for AstrophysicsSteradian[ SDU.ASTR.IM ] Sciences of the Universe [physics]/Astrophysics [astro-ph]/Instrumentation and Methods for Astrophysic [astro-ph.IM]Computer Science Applications1707 Computer Vision and Pattern RecognitionX-ray detectorsCondensed Matter Physicscompact objectsX-ray spectroscopyAstrophysics - Instrumentation and Methods for AstrophysicsX-ray detector[PHYS.ASTR.IM]Physics [physics]/Astrophysics [astro-ph]/Instrumentation and Methods for Astrophysic [astro-ph.IM]Cosmic VisionSpectral resolutionmicrochannel platesAstrophysics::High Energy Astrophysical PhenomenaFOS: Physical sciencesNOmicrochannel platecompact objects; microchannel plates; X-ray detectors; X-ray imaging; X-ray spectroscopy; X-ray timing; Electronic Optical and Magnetic Materials; Condensed Matter Physics; Applied Mathematics; Electrical and Electronic EngineeringSettore FIS/05 - Astronomia e AstrofisicaX-rayscompact object0103 physical sciencesElectronicOptical and Magnetic MaterialsElectrical and Electronic EngineeringSpectral resolutionInstrumentation and Methods for Astrophysics (astro-ph.IM)dense hadronic matterSensors010308 nuclear & particles physicsX-ray imagingAstronomyAccretion (astrophysics)[SDU.ASTR.IM]Sciences of the Universe [physics]/Astrophysics [astro-ph]/Instrumentation and Methods for Astrophysic [astro-ph.IM]Neutron star13. Climate actionx-ray and γ-ray instrumentation; neutron stars; dense hadronic matter[ PHYS.ASTR.IM ] Physics [physics]/Astrophysics [astro-ph]/Instrumentation and Methods for Astrophysic [astro-ph.IM]Gamma-ray burstastro-ph.IM
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High-rate x-ray spectroscopy in mammography with a CdTe detector: A digital pulse processing approach

2010

Purpose:Direct measurement of mammographic x-ray spectra under clinical conditions is a difficult task due to the high fluence rate of the x-ray beams as well as the limits in the development of high resolution detection systems in a high counting rate environment. In this work we present a detection system, based on a CdTe detector and an innovative digital pulse processing (DPP) system, for high-rate x-ray spectroscopy in mammography. Methods: The DPP system performs a digital pile-up inspection and a digital pulse height analysis of the detector signals, digitized through a 14-bit, 100 MHz digitizer, for x-ray spectroscopy even at high photon counting rates. We investigated on the respon…

x-ray spectroscopy CdTe detectors high photon counting rate digital pulse processing mammography
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XPS structural data and correlation with Mossbauer spectra for Tin-organic compounds: adducts of RnSnCl4-n with 1,2-bis(diphenylphosphino)ethane

1982

Abstract Core level X-ray photoelectron spectra of 1:1 adducts of SnCl4 and RSnCl3 with DPE {[RnSnCl4−n} · DPE (n = 1, R = Me, Bun, Octn, Phn; n = 2, R = Ph; DPE = 1,2-bis(diphenylphosphino)ethane], have been measured in solid phase. The Sn3d 5 2 binding energies, corrected for the Madelung potential at the metal atom, are well correlated with both partial atomic charge on tin, accounting for relaxation upon ionization, and 119Sn Mossbauer isomer shifts. The results are discussed in terms of these molecular parameters.

xpBinding energyAnalytical chemistrychemistry.chemical_elementAdductInorganic ChemistryMossbauerchemistry.chemical_compound12-Bis(diphenylphosphino)ethanechemistryX-ray photoelectron spectroscopyIonizationcorrelationAtomMössbauer spectroscopyMaterials ChemistryPhysical chemistryPhysical and Theoretical ChemistryTin
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Statistical Approximation of Fourier Transform-IR Spectroscopy Data for Zinc White Pigment from Twentieth-Century Russian Paintings

2017

We present a statistical model for approximation of experimental Fourier transform-IR spectroscopy (FTIR) data for paint samples from paintings of different ages. The model utilizes random variations in some parameters (initial ageing rate, degree of change in ageing rate and time at which the change occurs). We determine the parameters characterizing variation in the paint composition and the storage conditions for the paintings. The numerical calculation is qualitatively consistent with the experimental data. In the proposed model, changes in the initial composition of the paint and the storage conditions make about the same contribution to the experimentally observed scatter in the data …

zinc whiteMineralogyInfrared spectroscopy02 engineering and technology01 natural sciencessymbols.namesakeFourier transform infrared spectroscopySpectroscopySpectroscopyPaintingChemistry010401 analytical chemistryExperimental dataStatistical modelsimulation021001 nanoscience & nanotechnologyCondensed Matter PhysicsSettore FIS/07 - Fisica Applicata(Beni Culturali Ambientali Biol.e Medicin)0104 chemical sciencesComputer Science::GraphicsData pointFourier transformIR spectroscopysymbols0210 nano-technologyIR spectroscopy; dating; zinc white; simulationdatingJournal of Applied Spectroscopy
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