Search results for " effects"

showing 10 items of 2364 documents

Aminoacid zwitterions in solution : Geometric, energetic, and vibrational analysis using density functional theory-continuum model calculations

1998

Glycine and alanine aminoacids chemistry in solution is explored using a hybrid three parameters density functional (B3PW91) together with a continuum model. Geometries, energies, and vibrational spectra of glycine and alanine zwitterions are studied at the B3PW91/6-31+G∗∗ level and the results compared with those obtained at the HF and MP2/6-31+G∗∗ levels. Solvents effects are incorporated by means of an ellipsoidal cavity model with a multipolar expansion (up to sixth order) of the solute’s electrostatic potential. Our results confirm the validity of the B3PW91 functional for studying aminoacid chemistry in solution. Taking into account the more favorable scaling behavior of density funct…

AlanineSixth orderChemistryContinuum (design consultancy)Ab initioGeneral Physics and AstronomyThermodynamicsUNESCO::FÍSICA::Química físicaComputational chemistryOrganic compoundsSolvent effectsOrganic compounds ; Vibrational states ; Density functional theory ; Solvent effectsDensity functional theoryDensity functional theoryVibrational statesPhysical and Theoretical Chemistry:FÍSICA::Química física [UNESCO]ScalingVibrational spectra
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Dynamics of the general factor of personality: A predictor mathematical tool of alcohol misuse

2020

[EN] There are few studies developed about the general factor of personality (GFP) dynamics. This paper uses a dynamical mathematical model, the response model, to predict the short-term effects of a dose of alcohol on GFP and reports the results of an alcohol intake experiment. The GFP dynamical mechanism of change is based on the unique trait personality theory (UTPT). This theory proposes the existence of GFP, which occupies the apex of the hierarchy of personality. An experiment with 37 volunteers was performed. All the participants completed The five-adjective scale of the general factor of personality (GFP-FAS) in trait-format (GFP-T) and state-format (GFP-S) before alcohol consumptio…

Alcohol misuseIntegro-differential equationGeneral MathematicsDynamics (mechanics)fungiBiphasic alcohol effectsGeneral EngineeringAlcoholHierarchical structure of the Big Fivechemistry.chemical_compoundchemistryIntegro-differential equationOrdinary differential equationApplied mathematicsDynamical stimulus-response modelMultiple linear regression analysisMultiple linear regression analysisMATEMATICA APLICADAOrdinary differential equationMathematics
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Constant, cycling, hot and cold thermal environments: strong effects on mean viability but not on genetic estimates

2012

It has frequently been suggested that trait heritabilities are environmentally sensitive, and there are genetic trade-offs between tolerating different environments such as hot and cold or constant and fluctuating temperatures. Future climate predictions suggest an increase in both temperatures and their fluctuations. How species will respond to these changes is uncertain, particularly as there is a lack of studies which compare genetic performances in constant vs. fluctuating environments. In this study, we used a nested full-sib/half-sib breeding design to examine how the genetic variances and heritabilities of egg-to-adult viability differ at high and low temperatures with and without da…

Animal scienceEcologyDirect effectsTraitFuture climateGene–environment interactionBiologyHeritabilityCyclingConstant (mathematics)Genetic correlationEcology Evolution Behavior and SystematicsJournal of Evolutionary Biology
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Sterically geared tris-thioureas; transmembrane chloride transporters with unusual activity and accessibility

2015

Tris-N-arylthioureas derived in one step from 1,3,5-tris(aminomethyl)-2,4,6-triethylbenzene are remarkably effective anion carriers. With optimised aryl substituents their activities come close to the best currently known, suggesting that they might find use as readily available standards in anion transport research.

AnionsModels MolecularTrisSteric effectsCrystallography X-RayChlorideCatalysisPhysico-chimie généralechemistry.chemical_compoundChloridesMaterials ChemistrymedicineChimieMoleculeOrganic chemistryta116Ion transporterIon TransportMolecular StructureChemistryArylThioureatransmembrane anion carriersMetals and Alloystransmembrane transportersGeneral ChemistryCombinatorial chemistryTransmembrane proteinSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsChimie organiqueThioureaCeramics and Compositesmedicine.drugChemical Communications
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Influence of the anions on the structure and magnetic properties of a series of bis(µ-diphexono)-bridged linear trinuclear copper(II) complexes: an e…

2011

The reaction of H(2)L (N,N'-dimethyl-N,N'-bis(2-hydroxy-3-methoxy-5-methylbenzyl)-ethylenediamine) with different copper salts, in methanol and using a H(2)L/Cu = 2 : 3 molar ratio, led to four new bis(μ-diphenoxo)-bridged Cu(3) complexes of general formula [{Cu(S)(μ-L)}(2)Cu(H(2)O)(2n)]X(2) (S = CH(3)OH, n = 1 and X = BF(4)(-) for (1) or ClO(4)(-) for (2); S = Br(3)(-) anion and n = 1 without any X species for (3); S = H(2)O, n = 0 and X = NO(3)(-) for (4)). The use in the same reaction conditions of 4,4'-bipyridine (4,4'-bipy) as connector led to the chain complex [{Cu(μ-4,4'-bipy)(0.5)(μ-L)}(2)Cu(H(2)O)(2n)](ClO(4))(2)·17H(2)O (5). The structure of the centrosymmetric trinuclear unit in …

AnionsSteric effectsChemistryInorganic chemistryMolecular Conformationchemistry.chemical_elementEthylenediamineModels TheoreticalCrystallography X-RayCopperMagnetic susceptibilityInorganic ChemistryMetalMagneticsCrystallographychemistry.chemical_compoundCoordination Complexesvisual_artOctahedral molecular geometryAtomvisual_art.visual_art_mediumAntiferromagnetismta116CopperDalton Transactions
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Accumulation of Amphotericin B in Human Macrophages Enhances Activity against Aspergillus fumigatus Conidia: Quantification of Conidial Kill at the S…

1998

ABSTRACT A cytofluorometric assay that allowed assessment of damage to phagocytosed Aspergillus fumigatus conidia at the single-cell level was developed. After ingestion by monocyte-derived macrophages (MDMs), conidia were reisolated by treatment of the cells with streptolysin O, a pore-forming toxin with lytic properties on mammalian cells but not on fungi. The counts obtained by staining of damaged conidia with propidium iodide and quantification by cytofluorometry correlated with colony counts. By the use of this method, we demonstrate that MDMs differentiated in vitro by low-dose granulocyte-macrophage colony-stimulating factor and gamma interferon have only a limited capacity to damage…

Antifungal AgentsPhagocytosisDetergentsAntifungal drugAspergillus fumigatusMicrobiologychemistry.chemical_compoundPhagocytosisAmphotericin BAmphotericin BmedicineHumansMacrophagePharmacology (medical)Interferon gammaPropidium iodideskin and connective tissue diseasesMechanisms of Action: Physiological EffectsPharmacologyAspergillusbiologyAspergillus fumigatusMacrophagesGranulocyte-Macrophage Colony-Stimulating FactorFlow Cytometrybiology.organism_classificationInfectious Diseaseschemistrymedicine.drugAntimicrobial Agents and Chemotherapy
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Organic solvent desorption from two tegafur polymorphs.

2013

Desorption behavior of 8 different solvents from α and β tegafur (5-fluoro-1-(tetrahydro-2-furyl)uracil) has been studied in this work. Solvent desorption from samples stored at 95% and 50% relative solvent vapor pressure was studied in isothermal conditions at 30 °C. The results of this study demonstrated that: solvent desorption rate did not differ significantly for both phases; solvent desorption in all cases occurred faster from samples with the largest particle size; and solvent desorption in most cases occurred in two steps. Structure differences and their surface properties were not of great importance on the solvent desorption rates because the main factor affecting desorption rate …

Antimetabolites AntineoplasticVapor PressureChemistry PharmaceuticalInorganic chemistryEthyl acetatePharmaceutical ScienceElectron donorSolventchemistry.chemical_compoundAdsorptionchemistryDesorptionSolventsAdsorptionSolvent effectsAcetonitrileCrystallizationTetrahydrofuranTegafurInternational journal of pharmaceutics
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Evaluation of whole antioxidant defenses of human mononuclear cells by a new in vitro biological test: lack of correlation between erythrocyte and mo…

2009

1873-2933 (Electronic) Journal Article; OBJECTIVES: This work aims to evaluate the resistance of mononuclear cells to oxidative stress using a "KRL" test, formerly utilized to evaluate the resistance of erythrocyte to free radicals. METHODS: The "KRL" test evaluates the resistance to lysis of cells treated by free radicals generated under standardized conditions. RESULTS: We defined new analytical parameters (level of radical production, time course, number of cells) to obtain an accurate assay determining the resistance to oxidative stress of mononuclear cells, in comparison to that of erythrocytes. This test allows the evaluation of change in the redox state of mononuclear cells (improved…

AntioxidantLysisErythrocytesmedicine.medical_treatmentRadicalClinical BiochemistryStatistics as TopicCell Culture TechniquesAntimycin AInflammationImmunologic Testsmedicine.disease_causePeripheral blood mononuclear cellAntioxidantsAnti-Bacterial Agents/pharmacologyImmunologic Tests/*methodsElectron Transport Complex IIIReactive Oxygen Species/metabolismAntioxidants/*metabolism/pharmacologymedicineErythrocytes/*metabolismLeukocytesHumansDiagnosticOxidative Stress/*drug effectschemistry.chemical_classificationReactive oxygen speciesAntimycin A/pharmacologyElectron Transport Complex III/antagonists & inhibitorsChemistryMononuclear/drug effects/*metabolismReproducibility of ResultsGeneral MedicineIn vitroAnti-Bacterial AgentsOxidative StressBiochemistryLeukocytes MononuclearReagent KitsReagent Kits Diagnosticmedicine.symptomReactive Oxygen SpeciesOxidation-ReductionOxidative stress
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Citrus flavonoids: Molecular structure, biological activity and nutritional properties: A review

2007

Abstract Epidemiological studies have shown an inverse relationship between dietary flavonoid intakes and cardiovascular diseases. Citrus fruits are the main winter fruits consumed in the Mediterranean diet, so they are the main source of dietary flavonoids. The possible beneficial effects are due, not only to the high amounts of vitamins and minerals, but also to the antioxidant properties of their flavonoids. Dietary flavonoids may help to supplement the body antioxidant defences against free radicals. These compounds’ possible beneficial effects are due to their antioxidant activity, which is related to the development of atherosclerosis and cancer, and to anti-inflammatory and antimicro…

AntioxidantMediterranean dietmedicine.medical_treatmentFlavonoidBiologyAnalytical Chemistrymedicineheterocyclic compoundsFood scienceBeneficial effectsCancerchemistry.chemical_classificationfungifood and beveragesBiological activityGeneral MedicineAntimicrobialcarbohydrates (lipids)BiochemistrychemistryPolyphenolAtherosclerosiFlavonoidAntioxidantCitrus fruitFood ScienceCitrus fruitFood Chemistry
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Bax-derived membrane-active peptides act as potent and direct inducers of apoptosis in cancer cells.

2011

SUMMARYAlthough many cancer cells are primed for apoptosis, they usually develop resistance to cell death at multiple levels. Permeabilization of the outer mitochondrial membrane, which is mediated by proapoptotic Bcl-2 family members like Bax, is considered as a point-of-no-return for initiating apoptotic cell death. This crucial role has placed Bcl-2 family proteins as recurrent targets for anticancer drug development. Here, we propose and demonstrate a new concept based on using minimal active version of Bax to induce cell death independently of endogenous Bcl-2 proteins. We show that membrane-active segments of Bax can directly induce the release of mitochondria-residing apoptogenic fac…

ApoptosisMitochondrionMiceMESH: Protein Structure Tertiary0302 clinical medicineNeoplasmsgeneticsMESH: AnimalsMESH: Neoplasmsbcl-2-Associated X Protein0303 health sciencesbiologyMESH: PeptidesCytochrome capoptosisCytochromes cMESH: Cytochromes cproapoptotic BaxCell biologyMitochondriadrug therapymitochondria030220 oncology & carcinogenesisBacterial outer membraneProgrammed cell deathMESH: Cell Line TumorMESH: MitochondriaAntineoplastic Agents[SDV.CAN]Life Sciences [q-bio]/Cancerpore-forming peptideschemistryArticle03 medical and health sciencesBcl-2-associated X proteinBcl-2 familyCell Line TumorAnimalsHumansMESH: bcl-2-Associated X ProteinMESH: Mice030304 developmental biologyMESH: HumansMESH: ApoptosisBcl-2 familyCell BiologyProtein Structure Tertiaryanticancer agentantivascular therapyApoptosisdrug effectsCancer cellbiology.proteinMESH: Antineoplastic AgentspharmacologyphysiopathologyPeptidesmetabolism
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