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showing 10 items of 2898 documents

Dipole Moment Surface of the van der Waals Complex CH4–N2

2010

The interaction-induced dipole moment surface of the van der Waals CH(4)-N(2) complex has been calculated for a broad range of intermolecular separations R and configurations in the approximation of the rigid interacting molecules at the MP2 and CCSD(T) levels of theory using the correlation-consistent aug-cc-pVTZ basis set with the basis set superposition error correction. The simple model to account for the exchange effects in the range of small overlap of the electron shells of interacting molecules and the induction and dispersion interactions for large R has been suggested. This model allows describing the dipole moment of van der Waals complexes in analytical form both for large R, wh…

Bond dipole momentNitrogenSurface Properties[PHYS.ASTR.EP]Physics [physics]/Astrophysics [astro-ph]/Earth and Planetary Astrophysics [astro-ph.EP]Transition dipole momentVan der Waals surface[SDU.ASTR.EP]Sciences of the Universe [physics]/Astrophysics [astro-ph]/Earth and Planetary Astrophysics [astro-ph.EP]General Physics and Astronomy[SDU.ASTR.EP] Sciences of the Universe [physics]/Astrophysics [astro-ph]/Earth and Planetary Astrophysics [astro-ph.EP]010402 general chemistry01 natural sciencessymbols.namesake0103 physical sciencesVan der Waals radiusPhysics::Chemical PhysicsPhysical and Theoretical ChemistryComputingMilieux_MISCELLANEOUS010304 chemical physicsChemistryIntermolecular forceVan der Waals strain[ SDU.ASTR.EP ] Sciences of the Universe [physics]/Astrophysics [astro-ph]/Earth and Planetary Astrophysics [astro-ph.EP]0104 chemical sciences[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistryDipole[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry[PHYS.ASTR.EP] Physics [physics]/Astrophysics [astro-ph]/Earth and Planetary Astrophysics [astro-ph.EP][ PHYS.ASTR.EP ] Physics [physics]/Astrophysics [astro-ph]/Earth and Planetary Astrophysics [astro-ph.EP][ CHIM.THEO ] Chemical Sciences/Theoretical and/or physical chemistrysymbolsQuantum Theoryvan der Waals forceAtomic physicsHydrophobic and Hydrophilic InteractionsMethane
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Resolving Binding Events on the Multifunctional Human Serum Albumin

2020

Abstract Physiological processes rely on initial recognition events between cellular components and other molecules or modalities. Biomolecules can have multiple sites or mode of interaction with other molecular entities, so that a resolution of the individual binding events in terms of spatial localization as well as association and dissociation kinetics is required for a meaningful description. Here we describe a trichromatic fluorescent binding‐ and displacement assay for simultaneous monitoring of three individual binding sites in the important transporter and binding protein human serum albumin. Independent investigations of binding events by X‐ray crystallography and time‐resolved dyn…

Boron Compounds540 Chemistry and allied sciencesalbumin bindingIbuprofenSerum Albumin HumanMolecular Dynamics SimulationCrystallography X-Ray01 natural sciencesBiochemistryFluorescenceDrug DiscoverymedicineHumansSpatial localizationmulticolor assayskinetics investigationsGeneral Pharmacology Toxicology and PharmaceuticsBinding sitePharmacologychemistry.chemical_classificationBinding SitesMolecular Structure010405 organic chemistryBinding proteinBiomoleculeCommunicationOrganic ChemistryLauric AcidsTransporterdrug interactionsHuman serum albuminFluorescenceCommunications0104 chemical sciences010404 medicinal & biomolecular chemistry4-Chloro-7-nitrobenzofurazanchemistry540 ChemieBiophysicsMolecular MedicineDissociation kineticsswitchSENSE technologyWarfarinmedicine.drugChemmedchem
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Characterization of grapevine defense reactions and identification of elicitors : the endopolygalacturonase 1 from Botrytis cinerea, an avirulence fu…

2002

The fight against grapevine pathogens is mainly carried out by pesticides, the continued use of which is harmful to the environment and the health of users and consumers. The main organizations in charge of viticulture set as a priority the research and use of alternatives to chemical control. However, the genetic improvement of the vine is prohibited in AOC vineyards to preserve the varietal typicity, partly responsible for the quality of the wines. In addition, research undertaken some fifteen years ago reveals that plants have their own immune defenses, which they activate on contact with the microorganisms they recognize via molecules called elicitors. In this context, the objective of …

Botrytis cinerea endopolygalacturonase 1signalisation cellulaireBotrytis cinerea.[SDV.EE.IEO] Life Sciences [q-bio]/Ecology environment/Symbiosisprotectionoligogalacturonatesavirulencelaminarinegrapevinevirulenceréactions de défenseelicitorsVitis viniferadefense reactionséliciteurs[SDV.BBM] Life Sciences [q-bio]/Biochemistry Molecular Biologycell signalingoligogalacturonidesendopolygalacturonase 1 de Botrytis cinereavigne[SDV.IMM.II] Life Sciences [q-bio]/Immunology/Innate immunitylaminarin[SDV.BV.PEP] Life Sciences [q-bio]/Vegetal Biology/Phytopathology and phytopharmacy
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MitoKATP-channel opener protects against neuronal death in rat venous ischemia.

2005

OBJECTIVE: Mitochondrial adenosine triphosphate-dependent potassium (mitoK ATP ) channels are present in the brain, and several reports have shown their neuroprotective, preconditioning effect against an ischemic insult. The role of mitoK ATP channels in the penumbra area has not been studied thoroughly. In a model of venous ischemia, widespread penumbra-like low flow areas are created, which are susceptible to cortical spreading depression. Thus, we studied effects of mitoK ATP channels on infarct size in this model. METHODS: Male Wistar rats were subjected to two-vein occlusion by photochemical thrombosis of two adjacent cortical veins combined with KCI-induced cortical spreading depressi…

Brain InfarctionMalemedicine.medical_specialtyPotassium ChannelsPhotochemistryIschemiaBrain EdemaPotassium ChlorideIschemiaInternal medicinemedicineDiazoxideLaser-Doppler FlowmetryAnimalsChannel blockerDrug InteractionsRats WistarNeuronsAnalysis of VarianceCell Deathbusiness.industryPenumbraCortical Spreading DepressionDiazoxidemedicine.diseaseCerebral VeinsPotassium channelRatsTolerance inductionDisease Models AnimalNeuroprotective AgentsCerebral blood flowRegional Blood FlowAnesthesiaCortical spreading depressionCardiologySurgeryNeurology (clinical)businessHydroxy AcidsAnti-Arrhythmia AgentsDecanoic Acidsmedicine.drugNeurosurgery
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Measuring High-Order Interactions in Rhythmic Processes Through Multivariate Spectral Information Decomposition

2021

Many complex systems in physics, biology and engineering are modeled as dynamical networks and described using multivariate time series analysis. Recent developments have shown that the emergent dynamics of a network system are significantly affected by interactions involving multiple network nodes which cannot be described using pairwise links. While these higher-order interactions can be probed using information-theoretic measures, a rigorous framework to describe them in the frequency domain is still lacking. This work presents an approach for the spectral decomposition of multivariate information measures, capable of identifying higher-order synergistic and redundant interactions betwee…

Brain modelingMultivariate statisticsTechnology and EngineeringGeneral Computer ScienceTime series analysiComplex systemTIME-SERIESHEART-RATETime series analysisEEG analysisInformation theoryMOTOR IMAGERYMatrix decompositionCouplingFrequency-domain analysiRedundancyelectronic oscillatorsRedundancy (engineering)General Materials ScienceNETWORKTime domainFrequency-domain analysissignal processingTEMPERATUREParametric statisticsinformation theoryPhysicsFEEDBACKGeneral Engineeringclimate dynamicsTime measurementspectral analysisTK1-9971Mathematics and Statisticshigh-order interactionsconnectivityFrequency domainCouplingsElectrical engineering. Electronics. Nuclear engineeringBiological systeminformation dynamicsCoherenceIEEE Access
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A negative rapid urease test is unreliable for exclusion of Helicobacter pylori infection during acute phase of ulcer bleeding

2003

Abstract Background. The reliability of the rapid urease test has not been proven in patients with peptic ulcer bleeding. Some studies show bad diagnostic results with the rapid urease test for gastrointestinal bleeding. Aims. To evaluate the efficacy of the rapid urease test in patients with bleeding gastric or duodenal ulcers. Patients and methods. A total of 96 patients with acute peptic ulcer bleeding without proton pump inhibitor or antibiotic therapy within the last 14 days before bleeding were included into the study. During index endoscopy, specimens for histological and rapid urease test were obtained from the antrum and corpus mucosa of the stomach. Patients were also investigated…

Breath testmedicine.medical_specialtyGastrointestinal bleedingHepatologymedicine.diagnostic_testbiologymedicine.drug_classbusiness.industryStomachFalse Negative ReactionsGastroenterologyRapid urease testProton-pump inhibitorHelicobacter pyloribiology.organism_classificationmedicine.diseaseGastroenterologydigestive system diseasesmedicine.anatomical_structurePredictive value of testsInternal medicinemedicinebusinessDigestive and Liver Disease
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An initial comparative map of copy number variations in the goat (Capra hircus) genome

2010

Abstract Background The goat (Capra hircus) represents one of the most important farm animal species. It is reared in all continents with an estimated world population of about 800 million of animals. Despite its importance, studies on the goat genome are still in their infancy compared to those in other farm animal species. Comparative mapping between cattle and goat showed only a few rearrangements in agreement with the similarity of chromosome banding. We carried out a cross species cattle-goat array comparative genome hybridization (aCGH) experiment in order to identify copy number variations (CNVs) in the goat genome analysing animals of different breeds (Saanen, Camosciata delle Alpi,…

BreedingGenomePolymerase Chain ReactionSettore AGR/17 - Zootecnica Generale E Miglioramento GeneticoMOUSE STRAINSChromosome regionsCapra hircusGOATCopy-number variationANGORA-GOATSGENE-EXPRESSIONGenetics0303 health sciencesComparative Genomic HybridizationGenomeGoatsChromosome Mapping04 agricultural and veterinary sciencesBovine genomeDatabases Nucleic AcidBiotechnologyResearch Articlelcsh:QH426-470DNA Copy Number VariationsSEGMENTAL DUPLICATIONSlcsh:BiotechnologyMolecular Sequence DataBiologyFluorescenceStructural variationPRODUCTION TRAITSBirds03 medical and health sciencesFAMILY BOVIDAEGene mappinglcsh:TP248.13-248.65Sequence Homology Nucleic AcidGeneticsFINE-SCALEAnimalsHumansFalse Positive Reactions030304 developmental biologyCOPY NUMBER VARIATION0402 animal and dairy scienceReproducibility of Results040201 dairy & animal scienceChromosomes MammalianDNA-SEQUENCESSTRUCTURAL VARIATIONlcsh:GeneticsCANDIDATE LOCIcopy number variation goatsCattleComparative genomic hybridizationBMC Genomics
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Sorption of 4-ethylphenol and 4-ethylguaiacol by suberin from cork

2015

International audience; Cork shows an active role in the sorption of volatile phenols from wine. The sorption properties of 4-ethylphenol and 4-ethylguaiacol phenols in hydro-alcoholic medium placed in contact with suberin extracted from cork were especially investigated. To that purpose, suberin was immersed in model wine solutions containing several concentrations of each phenol and the amount of the compound remaining in the liquid phase was determined by SPME-GC-MS. Sorption isotherms of 4-ethylguaiacol and 4-ethylphenol by suberin followed the Henry's model. The solid/liquid partition coefficients (KSL) between the suberin and the model wine were also determined for several other volat…

BrettanomycesWineCorkengineering.materialGas Chromatography-Mass SpectrometryAnalytical ChemistryQuercus[SPI]Engineering Sciences [physics]chemistry.chemical_compoundPhenolsSuberinOrganic chemistryPhenolsWine4-EthylphenolChromatographybiologyGuaiacolSorptionGeneral Medicine4-Ethylguaiacolbiology.organism_classificationLipidsOff-flavourchemistryengineeringSorptionAdsorptionSuberinCorkHydrophobic and Hydrophilic Interactions[SDV.AEN]Life Sciences [q-bio]/Food and NutritionFood ScienceFood Chemistry
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SNPs and taxane toxicity in breast cancer patients

2014

Aim: In order to identify genetic variants associated with taxanes toxicity, a panel with 47 SNPs in 20 genes involved in taxane pathways was designed. Patients & methods: Genomic DNA of 113 breast cancer patients was analyzed (70 taking docetaxel, 43 taking paclitaxel). Results: Two SNPs associated with docetaxel toxicity were identified: CYP3A4*1B with infusion-related reactions; and ERCC1 Gln504Lys with mucositis (p ≤ 0.01). Regarding paclitaxel toxicity: CYP2C8 HapC and CYP2C8 rs1934951 were associated with anemia; and ERCC1 Gln504Lys with neuropathy (p ≤ 0.01). Conclusion: Genes involved in DNA repair mechanisms and reactive oxygen species levels influence taxane toxicity in cance…

Bridged-Ring CompoundsMucositisOncologymedicine.medical_specialtyDrug-Related Side Effects and Adverse ReactionsPaclitaxelmedicine.medical_treatmentBreast NeoplasmsDocetaxelPharmacologyPolymorphism Single Nucleotidechemistry.chemical_compoundBreast cancerInternal medicineGeneticsMucositisCytochrome P-450 CYP3AHumansMedicineGenetic Association StudiesAgedPharmacologyChemotherapyTaxanebusiness.industryCancerMiddle AgedEndonucleasesmedicine.diseaseDNA-Binding ProteinsDocetaxelPaclitaxelchemistryMolecular MedicineFemaleTaxoidsERCC1businessmedicine.drugPharmacogenomics
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Lyophilization of lepidopteran midguts: a preserving method for Bacillus thuringiensis toxin binding studies

2004

Binding assays with brush border membrane vesicles (BBMV) from insect midguts are commonly used in the study of the interactions between Bacillus thuringiensis Cry toxins and their receptors. Collaboration between laboratories often require that frozen insect samples are sent in dry ice. Because of customs restrictions and delays, sample thawing is always a risk and often the biological material becomes ruined during shipping. We have tested lyophilization as an alternative method for preserving insect midguts for binding studies with B. thuringiensis Cry toxins. For this purpose, BBMV were prepared from both frozen and lyophilized midguts from three lepidopteran species: Spodoptera exigua,…

Brush borderBacillus thuringiensisReceptors Cell SurfaceHelicoverpa armigeraSpodopteramedicine.disease_causeHost-Parasite InteractionsMicrobiologyBacterial ProteinsBacillus thuringiensisExiguamedicineAnimalsBinding sitePest Control BiologicalEcology Evolution Behavior and SystematicsCryopreservationMicrovillibiologyToxinfungibiology.organism_classificationLepidopteraFreeze DryingBiochemistryManduca sextaInsect ProteinsDigestive SystemJournal of Invertebrate Pathology
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