Search results for "Molecules"

showing 10 items of 1147 documents

Applications of Quantum Chemistry in Spectroscopy: Molecules, Complexes of Van der Waals, trapped Molecules

2009

I described in this memory my activities as a researcher at Tomsk well before 2003, in succession to the State University of Tomsk in the Faculty of Physics, Institute of Physics of Siberia, and the Institute of 'Atmospheric Optics, in France since then, mostly at the University of Bourgogne (ICB), but also at the University of Lille I (PhLAM) and the University of Marne-la-Vallée (LCT). Part of my work has been dedicated to the evaluation by calculating ab initio of rovibrational constants for quasi-spherical molecules. The centrifugal distortion constants and the dipole moment of the molecule SO2F2 were calculated to validate the tensor theory and interpreter the spectrum. I twas shown th…

photophysics and photochemistry of molecules and molecular systemsSpectroscopie moléculairemolecular modelingab initio calculationsmodélisation moléculaireMolecular spectroscopyphotophysique et photochimie de molécules et de systémes molèculairescalculs ab initio[PHYS] Physics [physics]
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PMN membrane fluidity, cytosolic Ca2+ content and beta2-integrin pattern in vascular atherosclerotic disease

2010

polymorphonuclear leukocyte adhesion molecules atherosclerosis
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Acute impact of exercise on pro-onflammatory molecule concentrations in blood : factors that affect exercise induce response

2013

Pētījuma mērķis bija izpētīt slodzes intensitātes un ilguma, kā arī fiziskās sagatavotības līmeņa un imobilizācijas ietekmi uz citokīnu un citu slodzes izraisītu signālvielu koncentrācijām asinīs. Kopumā 98 jauni, veseli un fiziski aktīvi vīrieši piedalījās 4 dažādos fiziskās slodzes testos. Asins paraugi citokīnu un citu signālvielu noteikšanai tika ņemti pirms, pēc, kā arī slodzes laikā. Rezultāti liecina, ka akūta fiziskā slodze izraisa iekaisuma molekulu koncentrācijas pieaugumu asinīs. Pieaugot slodzes ilgumam un intensitātei, šī organisma atbildes reakcija pastiprinās, savukārt augstāks fiziskās sagatavotības līmenis šo reakciju samazina. Atkarībā no fiziskās slodzes veida, intensitāt…

pro-inflammatory moleculesatbildes reakcijas ietekmējošie faktoriFizioloģijaPhysiologyiekaisuma molekulasakūta sistēmiska atbildes reakcija uz fizisko slodziacute systemic response to exerciseBioloģijainfluencing factorsBiology
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Contribution des interactions tanins - protéines salivaires dans la sensation d'astringence

2015

National audience

protéines salivaires[CHIM.ANAL] Chemical Sciences/Analytical chemistry[SDV.BBM.BS] Life Sciences [q-bio]/Biochemistry Molecular Biology/Structural Biology [q-bio.BM]taninsprotéine riche en proline[SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry Molecular Biology/Biophysicsastringencynoncovalent interaction[SDV.BBM.BC]Life Sciences [q-bio]/Biochemistry Molecular Biology/Biomolecules [q-bio.BM][SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry Molecular Biology/Biophysics[SDV.BBM.BS]Life Sciences [q-bio]/Biochemistry Molecular Biology/Biomolecules [q-bio.BM][SDV.AEN] Life Sciences [q-bio]/Food and Nutrition[CHIM.ANAL]Chemical Sciences/Analytical chemistryastringence[CHIM] Chemical Sciences[CHIM]Chemical Sciencesproline-rich proteins[SDV.AEN]Life Sciences [q-bio]/Food and Nutrition[SDV.BBM.BC] Life Sciences [q-bio]/Biochemistry Molecular Biology/Biochemistry [q-bio.BM]ComputingMilieux_MISCELLANEOUS
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Intramolecular Hydrogen Bond, Hirshfeld Analysis, AIM; DFT Studies of Pyran-2,4-dione Derivatives

2021

Intra and intermolecular interactions found in the developed crystals of the synthesized py-ron-2,4-dione derivatives play crucial rules in the molecular conformations and crystal stabili-ties, respectively. In this regard, Hirshfeld calculations were used to quantitatively analyze the different intermolecular interactions in the crystal structures of some functionalized py-ran-2,4-dione derivatives. The X-ray structure of pyran-2,4-dione derivative namely (3E,3′E)-3,3′-((ethane-1,2-diylbis(azanediyl))bis(phenylmethanylylidene))bis(6-phenyl-2H-pyran-2,4(3H)-dione) was determined. It crystallized in the monoclinic crystal system and C2/c space group with unit cell parameters: a = 14.0869(4) …

pyran-24-dioneGeneral Chemical Engineeringintramolecular hydrogen bondCrystal structure010402 general chemistryDFT01 natural sciencesInorganic Chemistrykemialliset sidoksetAIMMoleculeGeneral Materials Scienceorgaaniset yhdisteetCrystallography010405 organic chemistryHydrogen bondChemistryChemical shiftAtoms in moleculesIntermolecular forceHirshfeld analysiskiteetCondensed Matter Physics0104 chemical sciencesatomitCrystallographyQD901-999Intramolecular forceMonoclinic crystal systemCrystals
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Incidence de la clarification des moûts de raisin sur les fermentescibilltés alcoolique et malolactique

1993

<p style="text-align: justify;">Des essais de débourbage en vinification en blanc, réalisés de 1988 à 1992, mettent en évidence le rôle important joué par la teneur en macromolécules solubles dans le moût de raisin. Les moûts de faible turbidité conduisent en effet à des fermentations alcooliques lentes en relation avec de faibles populations levuriennes. Il est également confirmé que la libération de polysaccharides exocellulaires par les levures au cours de la fermentation alcoolique est d'autant plus élevée que le moût de départ a été fortement appauvri en colloïdes de raisin. Par contre, ce sont dans les lots les plus clarifiés que l'on observe la meilleure fermentescibilité malol…

rackingPhilosophylcsh:Ssoluble macromoleculesHorticulturelcsh:QK1-989lcsh:Agriculturealcoholic fermentationlcsh:Botanyexocellular polysaccharidesgrape mustfermentabilityHumanitiesFood ScienceOENO One
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Novel molecules for the readthrough of PTCs in biological model systems and in cystic fibrosis cells

2016

readthrough; premature stop codons; PTC; cystic fibrosis; novel moleculesnovel moleculesPTCreadthroughpremature stop codoncystic fibrosi
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The SO2F2 quasi-spherical top: Correspondence between tensorial and Watson's formalisms

2006

Abstract The SO2F2 quasi-spherical top molecule with C2v symmetry is considered as a distorted spherical top deriving from the SO 4 2 − tetrahedral ion. We present here a detailed correspondence between the tensorial formalism using the Td⊃C2v reorientation and the usual Hamiltonian of Watson. We have also performed ab initio calculations in order to determine the centrifugal distorsion constants in the vibrational ground state.

reductions01 natural sciencesasymmetric top moleculesAnalytical ChemistryIon010309 opticsInorganic Chemistrysymbols.namesakeAb initio quantum chemistry methodsQuantum mechanics0103 physical sciencesPhysics::Atomic and Molecular ClustersPhysics::Chemical Physics010306 general physicsSpectroscopy[PHYS.PHYS.PHYS-AO-PH]Physics [physics]/Physics [physics]/Atmospheric and Oceanic Physics [physics.ao-ph]Chemistryab initio calculationsOrganic ChemistryRotation formalisms in three dimensionsFormalism (philosophy of mathematics)[ PHYS.PHYS.PHYS-AO-PH ] Physics [physics]/Physics [physics]/Atmospheric and Oceanic Physics [physics.ao-ph]symbolsTetrahedronGround stateHamiltonian (quantum mechanics)tensorial formalismquasi-spherical tops
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FORMATION OF MOLECULES IN ULTRACOLD ATOMIC GASES VIA QUASI-RESONANT FIELDS

2010

we study the nonlinear mean-field dynamics of diatomic molecule formation at coherent photo- and magneto-association of ultracold atoms focusing on the case when the system is initially in the all-atomic state. We show that in the limit of strongly nonlinear interaction between an ultra-cold atomic-molecular system and a quasi-resonant electromagnetic field, the molecule formation process, depending on the characteristics of the associating field, may evolve according two different scenarios, namely, weak- and strong-oscillatory regimes. In the first case the number of molecules increases without pronounced oscillations of atom-molecule populations, while in the second case high-amplitude R…

résonance de Feshbach[PHYS.PHYS]Physics [physics]/Physics [physics][PHYS.MPHY]Physics [physics]/Mathematical Physics [math-ph]magnéto-associationmolécules ultra froidesFeshbach resonancephoto-association[PHYS.MPHY] Physics [physics]/Mathematical Physics [math-ph][ PHYS.PHYS ] Physics [physics]/Physics [physics]CBE moléculaire.[PHYS.PHYS] Physics [physics]/Physics [physics]BEC of molecules.[ PHYS.MPHY ] Physics [physics]/Mathematical Physics [math-ph]photoassociationultracold molecules
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Realization of time-resolved two-vacuum-ultraviolet-photon ionization

2009

International audience; Ultrafast dynamics of excited molecules is studied through time-resolved two-vacuum-ultraviolet (vuv)- photon ionization using a nonlinear volume autocorrelator unit. The two-vuv-photon process is induced by the intense fifth harmonic radiation of a femtosecond Ti:sapphire laser. In a proof-of-principle experiment, ultrafast dynamics of excited ethylene and oxygen molecules are investigated. Molecular decay times are deduced by comparing the experimental data with the results of a numerical model that accounts for the spatial and temporal characteristics of the harmonic field. The present experiments pave a convenient way for time domain investigations in the vuv-xuv s…

spectroscopyattosecondPhoton[ PHYS.PHYS.PHYS-ATOM-PH ] Physics [physics]/Physics [physics]/Atomic Physics [physics.atom-ph]Physics::Opticsphotoionisationnm01 natural sciences7. Clean energyAtmospheric-pressure laser ionization010309 opticsFrequency conversionIonizationhigher order harmonic generation0103 physical sciencesPhysics::Atomic and Molecular Clustersethylenemoleculestwo-photon processesPhysics::Chemical Physics010306 general physicsUltrafast dynamicsPhysics[PHYS.PHYS.PHYS-ATOM-PH]Physics [physics]/Physics [physics]/Atomic Physics [physics.atom-ph]photodissociationdynamicsVUVAtomic and Molecular Physics and Opticslaser-pulsesVacuum ultravioletExtreme ultravioletmolecule-photon collisionsXUX32.80.Rm 42.65.Re 42.65.KyHHGAtomic physicsultrafast internal-conversionorganic compoundsphysicsRealization (systems)oxygen
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