Search results for "Indice"

showing 10 items of 214 documents

Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity.

2016

Indexación: Web of Science Theoretical reactivity indices based on the conceptual Density Functional Theory (DFT) have become a powerful tool for the semiquantitative study of organic reactivity. A large number of reactivity indices have been proposed in the literature. Herein, global quantities like the electronic chemical potential μ, the electrophilicity ω and the nucleophilicity N indices, and local condensed indices like the electrophilic and nucleophilic Parr functions, as the most relevant indices for the study of organic reactivity, are discussed. http://www.mdpi.com/1420-3049/21/6/748

Chemical PhenomenaNucleophilicityChemistry OrganicPharmaceutical ScienceElectronsnucleophilicityReview010402 general chemistry01 natural sciencesreactivity indicesAnalytical ChemistryMolecular electron density theorylcsh:QD241-441Reactivity indicesNucleophilelcsh:Organic chemistryconceptual DFTParr functionsComputational chemistryDrug DiscoveryOrganic chemistryReactivity (chemistry)Physical and Theoretical ChemistryElectrophilicity010405 organic chemistryChemistryOrganic Chemistrymolecular electron density theory0104 chemical sciencesChemistry (miscellaneous)Conceptual DFTElectrophileMolecular MedicineQuantum TheoryDensity functional theoryelectrophilicityMolecules (Basel, Switzerland)
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Psychological intimate partner violence: the major predictor of posttraumatic stress disorder in abused women.

2004

Intimate partner violence (IPV) significantly impacts women mental and physical wellbeing and therefore represents a worldwide public health problem. A clear association between IPV and increased risk to develop posttraumatic stress disorder (PTSD) has been documented. However, few studies examined how different features of IPV (physical, psychological, sexual) interact with other traumatic stress experiences (physical, psychological and sexual childhood abuse and adulthood victimization by other/s than the partner) in determining PTSD. Women abused by the partner (n=75) were compared with non-abused control women (n=52). Information about sociodemographic profile and relevant personal char…

Child abuseAdultRiskmedicine.medical_specialtyCognitive NeuroscienceAbusive relationshipPoison controlViolencebehavioral disciplines and activitiesInterviews as TopicStress Disorders Post-TraumaticBehavioral NeurosciencePredictive Value of TestsSurveys and Questionnairesmental disordersmedicineHumansInterpersonal RelationsPsychiatrymusicPsychological abuseCrime VictimsAgedDemographyRetrospective StudiesPsychiatric Status Rating Scalesmusic.instrumentTrauma Severity IndicesBattered WomenTraumatic stressMiddle Agedmedicine.diseaseMental healthNeuropsychology and Physiological PsychologyCross-Sectional StudiesDomestic violenceRegression AnalysisFemalePsychologyAnxiety disorderClinical psychologyNeuroscience and biobehavioral reviews
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NEMATODE COLONIZATION OF PYRITE CINDER-POLLUTED SOIL

2020

The nematofauna was studied in the early stages of a remediation trial at an industrial site where pyrite cinders had accumulated for 40 years in a large area and were then covered with mineral soil. The cinders were contaminated with several metals and metalloids. The soil of the experimental plots was derived from the mixture of cinders with the covering soil in a 1:1 ratio. Plots were amended with manure and sown with 3 metal resistant plants: Sorghum bicolor L., Helianthus annuus L., and Arundo donax L. Samples were taken : a) at the beginning of the trial on the pyrite cinders and covering soil, separately; b) from the mixture before the application of manure; c) from cultivated plots.…

CinderSettore AGR/11 - Entomologia Generale E ApplicataNematodebiologyBotanyengineeringRecovery Remediation Biodiversity Maturity Index Ecological Indices Nematofauna.Environmental scienceColonizationPyriteengineering.materialGeneral Agricultural and Biological Sciencesbiology.organism_classificationRedia
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A methodology to assess the intrinsic discriminative ability of a distance function and its interplay with clustering algorithms for microarray data …

2013

Abstract Background Clustering is one of the most well known activities in scientific investigation and the object of research in many disciplines, ranging from statistics to computer science. Following Handl et al., it can be summarized as a three step process: (1) choice of a distance function; (2) choice of a clustering algorithm; (3) choice of a validation method. Although such a purist approach to clustering is hardly seen in many areas of science, genomic data require that level of attention, if inferences made from cluster analysis have to be of some relevance to biomedical research. Results A procedure is proposed for the assessment of the discriminative ability of a distance functi…

Computer sciencecomputer.software_genreBiochemistrysymbols.namesakeDiscriminative modelStructural BiologyCluster AnalysisRelevance (information retrieval)Cluster analysisMolecular BiologyOligonucleotide Array Sequence AnalysisClustering discriminative ability of a distance function external validation indicesSettore INF/01 - InformaticaResearchApplied MathematicsMutual informationPearson product-moment correlation coefficientComputer Science ApplicationsHierarchical clusteringEuclidean distanceRange (mathematics)Metric (mathematics)symbolsData miningTranscriptomecomputerAlgorithmsBMC Bioinformatics
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Growth and development of succulent mixtures for extensive green roofs in a Mediterranean climate.

2022

Green roof systems, aimed at reducing anthropic impact on the environment, are considered environmental mitigation technologies and adopted by many countries across the world to strengthen urban ecosystem services. This study evaluates two mixtures of succulent: one of Crassulaceae and the other of Aizoaceae, used in the creation of a continuous and homogenous plant groundcover in Mediterranean environments. To assess the species mixtures, the parameters plant height, growth index, cover percentage and flowering were observed. Hydrological observations were also carried out to evaluate the rainfall retained by the test system in any given month. All data were subjected to analysis of varian…

Conservation of Natural ResourcesMultidisciplinaryClimateGreen roofGrowth and DevelopmentMediterranean regiongrowth indicesPlantsSedum specieEcosystemSedumSettore AGR/02 - Agronomia E Coltivazioni ErbaceePloS one
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Spatial Localization in Manufacturing: A Cross-Country Analysis

2009

This paper employs a homogenous firms' database to investigate industry localiza- tion in European countries. More specifically, we compare, across industries and countries, the predictions of two of the most popular localization indices, i.e., the Ellison and Glaeser index (Ellison and Glaeser, 1997) and the Duranton and Over- man index (Duranton and Overman, 2005). We find that, independently from the index used, localization is a pervasive phenomenon in all countries studied, but the degree of localization is very uneven across industries in each country. Furthermore, we find that the two indices significantly diverge in predicting the intensity of the forces generating localization with…

Cross-country studies; Industry localization; Localization indexes; Manufacturing industries; Non-pecuniary externalities; Pecuniary externalities; Spatial concentration; Spatial correlationIndex (economics)Manufacturing IndustriesJEL: R - Urban Rural Regional Real Estate and Transportation Economics/R.R3 - Real Estate Markets Spatial Production Analysis and Firm LocationLocalization Indices0211 other engineering and technologies02 engineering and technologyjel:R3Industry Localization0502 economics and businessLocalization indexesEconomicsManufacturing IndustrieSpatial localizationPecuniary externalitiesEconomic geography050207 economicsGeneral Environmental ScienceCross country analysisIndustry LocalizationManufacturing IndustriesLocalization IndicesSpatial ConcentrationSpatial correlationCross-country studies05 social sciencesIndustry Localization; Manufacturing Industries; Localization Indices; Spatial Concentration; Spatial correlation; Cross-country studiesGeneral Social Sciences021107 urban & regional planning[SHS.ECO]Humanities and Social Sciences/Economics and FinanceIndustry Localization Manufacturing Industries Localization Indices Spatial Concentration Spatial correlation Cross-country studiesCross-country studiesEconomies of scaleJEL: R - Urban Rural Regional Real Estate and Transportation Economics/R.R1 - General Regional Economics/R.R1.R12 - Size and Spatial Distributions of Regional Economic ActivityLocalization IndiceEconomy8. Economic growthNon-pecuniary externalitiesCross-country studiejel:R12Spatial correlationSpatial ConcentrationRegional Studies
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Understanding the participation of 3-nitropyridine in polar Diels–Alder reactions. A DFT study

2015

The reactivity of 3-nitropyridine acting as an electrophilic dienophile in polar Diels-Alder (P-DA) reactions toward three different dienes of increased nucleophilicity has been theoretically studied using DFT methods at the MPWB1K/6-31G(d) level. It has been observed that this aromatic heterocyclic system suffers cycloaddition reactions yielding isoquinoline derivatives. The present DFT study establishes that while the P-DA reactions with isoprene and 1-methoxy-1,3-butadiene take place through a two-stage one-step mechanism, the use of the strong nucleophilic Danishefsky's diene changes the mechanism to a two-step one with formation of a zwitterionic intermediate. These P-DA reactions are …

DieneChemistryPARR FUNCTIONSCiencias QuímicasRegioselectivityREGIOSELECTIVITYCondensed Matter PhysicsBiochemistryCycloaddition3-NITROPYRIDINEchemistry.chemical_compoundQuímica OrgánicaNucleophileMOLECULAR MECHANISMSComputational chemistryDFT INDICESElectrophileOrganic chemistryReactivity (chemistry)Physical and Theoretical ChemistryIsoquinolinePOLAR DIELS-ALDERCIENCIAS NATURALES Y EXACTASIsopreneComputational and Theoretical Chemistry
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L'indice eco-Doppler di resistenza arteriosa parenchimale è predittivo di insufficienza renale occulta

2010

Doppler rene anziano indice di resistenza insufficienza renale occulta
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L’édito du rapport de développement durable : un signal prédictif d’inclusion d’une entreprise dans un indice de performance RSE ?

2019

International audience

Développement durableIndice de performance[SHS.GESTION]Humanities and Social Sciences/Business administration[SHS.GESTION] Humanities and Social Sciences/Business administrationComputingMilieux_MISCELLANEOUSRSE
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ASSOCIAZIONE TRA INDICE DI RESISTENZA INTRARENALE E STIFFNESS AORTICA IN SOGGETTI CON MALATTIA RENALE CRONICA

2014

RAZIONALE. L’indice di resistenza intraparenchimale renale (IR), valutato mediante eco-color-Doppler, è stato classicamente utilizzato quale valido strumento di valutazione diagnostica e prognostica delle patologie renali. Studi recenti suggeriscono che i parametri emodinamici intrarenali, e l’IR in particolare, possano essere anche associati ad alterazioni vascolari sistemiche, nonché ad un incremento del rischio cardiovascolare. Tuttavia, dati contrastanti esistono in letteratura circa l'associazione indipendente tra IR e pulse wave velocity aortica (PWVa), indice di stiffness arteriosa, nonché espressione di danno d'organo subclinico. Scopo di questo studio è stato dunque quello di valut…

ECO-DOPPLER ARTERIE RENALIPULSE WAVE VELOCITY.IPERTENSIONE ARTERIOSARIGIDITA' AORTICAINDICE DI RESITENZA INTRARENAL
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