Search results for "DME"

showing 10 items of 156 documents

"VR kinematics 2" of "Search for squarks and gluinos in final states with hadronically decaying $\tau$-leptons, jets, and missing transverse momentum…

2018

$E_{\mathrm{T}}^{\mathrm{miss}}$ in the compressed $E_{\mathrm{T}}^{\mathrm{miss}}$ VR of the $1\tau$ channel, illustrating the background modeling after the fit. The last bin includes overflow events.

13000.0DN/DMET
researchProduct

Estimation of ADME Properties in Drug Discovery: Predicting Caco-2 Cell Permeability Using Atom-Based Stochastic and Non-stochastic Linear Indices

2007

The in vitro determination of the permeability through cultured Caco-2 cells is the most often-used in vitro model for drug absorption. In this report, we use the largest data set of measured P(Caco-2), consisting of 157 structurally diverse compounds. Linear discriminant analysis (LDA) was used to obtain quantitative models that discriminate higher absorption compounds from those with moderate-poorer absorption. The best LDA model has an accuracy of 90.58% and 84.21% for training and test set. The percentage of good correlation, in the virtual screening of 241 drugs with the reported values of the percentage of human intestinal absorption (HIA), was greater than 81%. In addition, multiple …

Absorption (pharmacology)Stochastic ProcessesVirtual screeningQuantitative structure–activity relationshipDrug discoveryStereochemistryLinear modelQuantitative Structure-Activity RelationshipPharmaceutical ScienceLinear discriminant analysisPermeabilityData setROC CurveDrug DesignTest setLinear regressionLinear ModelsHumansPharmacokineticsCaco-2 CellsBiological systemADMEMathematicsJournal of Pharmaceutical Sciences
researchProduct

Effect of Organic Amendments on the Evolution of Soil Organic Matter in Soils Stressed by Intensive Agricultural Practices

2013

Losses of soil organic carbon often occur because of intensive agricultural practices that lead to removal of organic carbon following harvest production and to insufficient inputs. Organic amendments can be a very appropriate matrix for enhancing organic carbon content in very stressed agricultural soils. In general, they, enhancing soil organic matter, play an important role in environmental matrices due, for example, to their capacity in retaining water, in interacting with organic and inorganic pollutants, and in enhancing nutrient availability to plants. For this reason, the understanding of the mechanisms with which organic amendments interact with other chemicals in the environment i…

AgroforestryChemistrybusiness.industrySoil organic matterSettore AGR/13 - Chimica AgrariaOrganic ChemistryAmendements FFC-NMR relaxometry FT-IR Humic acids NMR soil orgaqnic matterhumic acidNMRFT-IRAgronomyFFC-NMR relaxometryAgriculturesoil organic matterSoil waterAmendmentbusiness
researchProduct

A Novel Series of Acylhydrazones as Potential Anti-Candida Agents: Design, Synthesis, Biological Evaluation and In Silico Studies

2019

In the context of an increased incidence of invasive fungal diseases, there is an imperative need of new antifungal drugs with improved activity and safety profiles. A novel series of acylhydrazones bearing a 1,4-phenylene-bisthiazole scaffold was designed based on an analysis of structures known to possess anti-Candida activity obtained from a literature review. Nine final compounds were synthesized and evaluated in vitro for their inhibitory activity against various strains of Candida spp. The anti-Candida activity assay revealed that some of the new compounds are as active as fluconazole against most of the tested strains. A molecular docking study was conducted in order to evaluate the …

Antifungal AgentsMolecular modelIn silicoPharmaceutical ScienceContext (language use)anti-CandidaMicrobial Sensitivity Tests01 natural sciencesArticleAnalytical Chemistrylcsh:QD241-44103 medical and health scienceschemistry.chemical_compoundStructure-Activity Relationshiplcsh:Organic chemistryDrug DiscoverymedicinePhysical and Theoretical ChemistryFluconazole030304 developmental biologyCandida0303 health sciencesMolecular Structure010405 organic chemistrymolecular modelingLanosterolOrganic Chemistryanti-<i>Candida</i>HydrazonesBiological activityIn vitro0104 chemical sciencesMolecular Docking Simulationlanosterol 14α-demethylaseADMETchemistryBiochemistryDesign synthesisChemistry (miscellaneous)Drug DesignMolecular MedicinethiazoleFluconazoleacylhydrazonemedicine.drugProtein BindingMolecules
researchProduct

Steroidal saponins from the roots of Smilax aspera subsp. mauritanica

2008

Two new steroidal saponins (1, 2) were isolated from the roots of Smilax aspera subsp. mauritanica (POIR.) ARCANG. (Liliaceae), together with the known curillin G (3), asparagoside E (4), asparoside A (5), asparoside B (6) and the phenolic compound resveratrol (7). Their structures were established mainly on the basis of 600 MHz 2D-NMR spectral data. 3 exhibited antifungal activity against the human pathogenic yeasts Candida albicans, C. glabrata and C. tropicalis (minimum inhibitory concentrations of 25, 25 and 50 microg/ml, respectively) whereas the other compounds were inactive.

AntifungalSpectrometry Mass Electrospray IonizationAntifungal AgentsMagnetic Resonance SpectroscopySpectrophotometry Infraredmedicine.drug_classMolecular Sequence DataPharmaceutical ScienceMicrobial Sensitivity TestsSpectrometry Mass Fast Atom BombardmentResveratrolPlant RootsAnalytical Chemistrychemistry.chemical_compoundDrug DiscoveryBotanymedicineCandida albicansSpectral dataSmilax asperaCandidaPharmacologybiologyTraditional medicineLiliaceaeHydrolysisOrganic ChemistryFungiGeneral ChemistryGeneral MedicineSaponinsbiology.organism_classificationKetoconazoleCarbohydrate SequenceComplementary and alternative medicinechemistrySmilaxMolecular MedicineSteroidsPlanta Medica
researchProduct

Changes in soil chemical properties as affected by pyrogenic organic matter amendment with different intensity and frequency

2017

Pyrogenic organic matter (PyOM) has long been used as a soil amendment to improve soil physicochemical properties. However, few studies simultaneously investigated both intensities and frequencies of PyOM addition on soil chemical properties of soil base cations, soil pH buffering capacity (pHBC), and plant available micronutrients. In the main food production area of lower Liaohe River Plain in Northeast China, a field manipulation of PyOM addition was initiated in 2013 to examine how the intensities (0, 1%, 3%, and 5% of 0–20 cm soil mass) and frequencies (3% of soil mass applied once versus yearly for 3 years) of PyOM amendment affected soil chemical properties. Higher intensity of PyOM …

Base cationSoil acidificationAmendmentSoil ScienceBiomass010501 environmental sciencesSoil fertilitycomplex mixtures01 natural sciencesSoil pHBiocharOrganic matterSoil acidification0105 earth and related environmental scienceschemistry.chemical_classificationSoil organic matterfood and beverages04 agricultural and veterinary sciencesBodemfysica en LandbeheerSoil Physics and Land ManagementBiocharAgronomychemistryEnvironmental chemistryTrace element040103 agronomy & agriculture0401 agriculture forestry and fisheriesSoil fertilityEcologia dels sòlsGeoderma
researchProduct

Fast atom bombardment and field desorption mass spectrometry: Comparative aspects of analytical development and bioanalytical application

1983

BioanalysisChemistryClinical BiochemistryAnalytical chemistryGeneral Materials ScienceGeneral MedicineFast atom bombardmentField desorption mass spectrometryMass spectrometryAnalytical ChemistryFresenius' Zeitschrift für analytische Chemie
researchProduct

The role of nutrients in the biodegradation of 2,4,6-trinitrotoluene in liquid and soil.

2011

The widely used explosive 2,4,6-trinitrotoluene (TNT) has residues that are potentially explosive, toxic, and mutagenic. TNT and other explosives can be degraded by microorganisms; however, biostimulation is needed for process efficiency. To investigate the effectiveness of using biostimulation to degrade TNT, we added varying concentrations of a nutrient amendment consisting of inorganic salts, plant extracts, and molasses to soil and liquid media. For the inoculum we used a consortium of bacteria AM 06 that had exhibited the ability to degrade TNT and which had been previously isolated from explosives-contaminated soils. Phylogenetically, the clones clustered into seven different genera: …

BioaugmentationEnvironmental EngineeringMicroorganismMicrobial ConsortiaAmendmentManagement Monitoring Policy and LawBiostimulationBioremediationPseudoxanthomonasTrinitrotolueneSoil PollutantsMolassesFertilizersWaste Management and DisposalbiologyChemistryPlant ExtractsEnvironmental engineeringGeneral MedicineBiodegradationmusculoskeletal systembiology.organism_classificationCulture MediaBiodegradation EnvironmentalEnvironmental chemistrySaltsWater Pollutants ChemicalTrinitrotolueneJournal of environmental management
researchProduct

Prediction models based on soil properties for evaluating the uptake of eight heavy metals by tomato plant (Lycopersicon esculentum Mill.) grown in a…

2021

The aim of this study is to design de novo prediction models in order to gauge the likely uptake of eight heavy metals (Al, Cr, Cu, Fe, Mn, Ni, Pb and Zn) by Lycopersicon esculentum, the tomato plant. Uptake was assessed within the plant’s root, stem, leaf and fruit tissues, respectively. The plant was cultivated in soil amended by different application rates of sewage sludge, i.e. 0, 10, 20, 30 and 40 g/kg. The roots exhibited markedly elevated heavy metal concentrations compared to the above-ground plant components, with the exception of the quantity of Ni in the leaves. Apart from Al, Fe and Mn, a bioconcentration factor >1 was identified for all heavy metals. Excluding Ni in the leaves,…

Bioconcentration and translocation factorsBiosolidsSoil amendmentBioconcentrationTomatoLycopersiconMetalChemical Engineering (miscellaneous)Waste Management and DisposalbiologyChemistrybusiness.industryProcess Chemistry and TechnologyHeavy metalsRegression modelsbiology.organism_classificationPollutionHorticultureBiosolidsMetalsAgriculturevisual_artSoil watervisual_art.visual_art_mediumbusinessSludgeJournal of Environmental Chemical Engineering
researchProduct

Soil carbon quality and nitrogen fertilization structure bacterial communities with predictable responses of major bacterial phyla

2014

Abstract Agricultural practices affect the soil ecosystem in multiple ways and the soil microbial communities represent an integrated and dynamic measure of soil status. Our aim was to test whether the soil bacterial community and the relative abundance of major bacterial phyla responded predictably to long-term organic amendments representing different carbon qualities (peat and straw) in combination with nitrogen fertilization levels and if certain bacterial groups were indicative of specific treatments. We hypothesized that the long-term treatments had created distinctly different ecological niches for soil bacteria, suitable for either fast-growing copiotrophic bacteria, or slow-growing…

Biomass (ecology)EcologybiologyEcologySoil organic matterSoil biology[SDV]Life Sciences [q-bio]Soil ScienceBiological indicatorsSoil carbonStrawbiology.organism_classificationAgricultural and Biological Sciences (miscellaneous)Nitrogen fertilizationAgronomySoil statusLong-term experimentMicrobial community[SDE]Environmental Sciences[SDV.BV]Life Sciences [q-bio]/Vegetal BiologyGemmatimonadetesEcosystemOrganic amendmentAcidobacteria
researchProduct