Search results for "Lead"

showing 10 items of 1360 documents

On the Shape-Selected, Ligand-Free Preparation of Hybrid Perovskite (CH3NH3PbBr3) Microcrystals and Their Suitability as Model-System for Single-Crys…

2021

Hybrid perovskite materials are one of the most promising candidates for optoelectronic applications, e.g., solar cells and LEDs, which can be produced at low cost compared to established materials. Although this field of research has seen a huge upsurge in the past decade, there is a major lack in understanding the underlying processes, such as shape-property relationships and the role of defects. Our aerosol-assisted synthesis pathway offers the possibility to obtain methylammonium lead bromide (MAPbBr3 ) microcrystals from a liquid single source precursor. The differently shaped particles are aligned on several substrates, without using a directing agent or other additives. The obtained …

Methylammonium lead bromideDewey Decimal Classification::500 | Naturwissenschaften::540 | ChemieMaterials scienceDewey Decimal Classification::500 | Naturwissenschaften::570 | Biowissenschaften BiologieAerosol synthesisGeneral Chemical EngineeringLead bromideModel systemOptoelectronic properties of MAPbBr3law.inventionCrystalhybrid perovskites (HYPE)lawddc:570General Materials Scienceoptoelectronic properties of MAPbBr<sub>3</sub>ddc:530QD1-999methylammonium lead bromideshape-related propertiesPerovskite (structure)aerosol synthesisbusiness.industryLigandSpatially resolvedHybrid perovskites (HYPE)Shape-related propertiesChemistryddc:540Optoelectronicshybrid perovskites (HYPE); methylammonium lead bromide; aerosol synthesis; shape-related properties; optoelectronic properties of MAPbBr3businessSingle crystalLight-emitting diode
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3,4,5,3’,5’-pentabromo-2-(2’-hydroxybenzoyl) pyrrole: a potential lead compound as anti Gram-positive and anti biofilm agent

2005

The activity against Gram-positive bacteria of 3,4,5,3 ,5 -pentabromo-2-(2 -hydroxybenzoyl)pyrrole I, a synthetic anti-bacterial compound related to pyrrolomycins, was tested in vitro using seven reference bacterial strains and Staphylococcus epidermidis and Staphylococcus aureus preformed biofilms. Compound I was active against all strains tested, with minimum inhibitory concentration (MIC) values ranging from 0.002 to 0.097 mg/l and minimum bactericidal concentrations (MBCs) from 0.37 to 12.5 mg/l. Compound I was also active at low concentrations against preformed S. epidermidis and S. aureus biofilms.

Microbiology (medical)Gram-positive bacteriaTetrazolium SaltsMicrobial Sensitivity Testsmedicine.disease_causeGram-Positive BacteriaMicrobiologychemistry.chemical_compoundMinimum inhibitory concentrationStaphylococcus epidermidisDrug Resistance BacterialmedicineHumansPharmacology (medical)PyrrolesPyrrolebiologyAntimicrobici Staphylococci Anti-biofilmBiofilmAntimicrobici Staphylococci Anti-biofilmGeneral Medicinebiology.organism_classificationAnti-Bacterial AgentsHydrocarbons BrominatedThiazolesInfectious DiseaseschemistryStaphylococcus aureusBiofilmsGentian VioletLead compoundBacteria
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Welfare, Home Market Effects, and Horizontal Foreign Direct Investment

2005

We investigate the spatial distribution and organization of an imperfectly competitive industry when firms may choose to operate more than a single production unit. Focusing on a short-run setting with a fixed mass of firms, we fully characterize the spatial equilibria analytically. Comparing the equilibrium and the first-best, we show that both organizational and spatial inefficiencies may arise. In particular, when fixed costs are low enough the market outcome may well lead to overinvestment and, therefore, to too many multinationals operating from a social point of view. Furthermore, once multinationals are taken into account, the market outcome may well lead too little agglomeration.

MicroeconomicsLead (geology)Economies of agglomerationmedia_common.quotation_subjectEconomicsForeign direct investmentDiscount pointsFixed costImperfect competitionWelfareOutcome (game theory)media_commonSSRN Electronic Journal
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The Repurposing of Old Drugs or Unsuccessful Lead Compounds by in Silico Approaches: New Advances and Perspectives

2015

Have you a compound in your lab, which was not successful against the designed target, or a drug that is no more attractive? The drug repurposing represents the right way to reconsider them. It can be defined as the modern and rationale approach of the traditional methods adopted in drug discovery, based on the knowledge, insight and luck, alias known as serendipity. This repurposing approach can be applied both in silico and in wet. In this review we report the molecular modeling facilities that can be of huge support in the repurposing of drugs and/or unsuccessful lead compounds. In the last decades, different methods were proposed to help the scientists in drug design and in drug repurpo…

Models Molecular0301 basic medicineLead compoundDatabases FactualChemistry PharmaceuticalIn silicoDrug repurposingNanotechnologyLigandsDrug design03 medical and health sciencesLead (geology)In silico approacheDrug DiscoveryHumansComputer SimulationRepurposingDrug discoverySerendipityDrug Discovery3003 Pharmaceutical ScienceDrug repositioningGeneral MedicineSettore CHIM/08 - Chimica FarmaceuticaData scienceDrug repositioningComputingMethodologies_PATTERNRECOGNITION030104 developmental biologyStructure basedLigand basedStructure BasedSoftwareCurrent Topics in Medicinal Chemistry
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Theoretical and Experimental Study of the Crystal Structures, Lattice Vibrations, and Band Structures of Monazite-Type PbCrO4, PbSeO4, SrCrO4, and Sr…

2015

The crystal structures, lattice vibrations, and electronic band structures of PbCrO4, PbSeO4, SrCrO4, and SrSeO4 were studied by ab initio calculations, Raman spectroscopy, X-ray diffraction, and optical-absorption measurements. Calculations properly describe the crystal structures of the four compounds, which are isomorphic to the monazite structure and were confirmed by X-ray diffraction. Information is also obtained on the Raman- and IR-active phonons, with all of the vibrational modes assigned. In addition, the band structures and electronic densities of states of the four compounds were determined. All are indirect-gap semiconductors. In particular, chromates are found to have band gap…

Models MolecularBand gapMolecular ConformationElectronsElectronic structureElectron holeSelenic AcidCrystallography X-RayVibrationMolecular physicsInorganic ChemistryX-RAY-DIFFRACTIONAb initio quantum chemistry methodsHIGH-PRESSUREChromatesPhysical and Theoretical ChemistryChemistrySemimetalCrystallographyELECTRONIC-STRUCTURELeadStrontiumMolecular vibrationQuantum TheoryMetals Rare EarthDirect and indirect band gapsX-RAY-DIFFRACTION; HIGH-PRESSURE; ELECTRONIC-STRUCTURE;Quasi Fermi level
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Insight on [1,3]thiazolo[4,5-e]isoindoles as tubulin polymerization inhibitors

2021

A series of [1,3]thiazolo[4,5-e]isoindoles has been synthesized through a versatile and high yielding multistep sequence. Evaluation of the antiproliferative activity of the new compounds on the full NCI human tumor cell line panel highlighted several compounds that are able to inhibit tumor cell proliferation at micromolar-submicromolar concentrations. The most active derivative 11g was found to cause cell cycle arrest at the G2/M phase and induce apoptosis in HeLa cells, following the mitochondrial pathway, making it a lead compound for the discovery of new antimitotic drugs.

Models MolecularCell cycle checkpointIsoindoles1ApoptosisIsoindoles01 natural sciencesPolymerizationTubulin Polymerization InhibitorsCell cycle arrestHeLaStructure-Activity Relationship03 medical and health scienceschemistry.chemical_compoundTubulinDrug DiscoveryHumansTubulin polymerization inhibitors030304 developmental biologyPharmacology0303 health sciencesDose-Response Relationship DrugMolecular Structurebiology010405 organic chemistry3]thiazolo[4Organic ChemistryGeneral Medicinebiology.organism_classificationTubulin Modulators0104 chemical sciencesBiochemistrychemistryCell cultureApoptosis5-e]isoindoles13]thiazolo[45-e]isoindoles13]thiazolo[45-e]isoindoles; Apoptosis; Cell cycle arrest; Tubulin polymerization inhibitorsLead compoundDerivative (chemistry)HeLa CellsEuropean Journal of Medicinal Chemistry
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Targeting the Class A Carbapenemase GES-5 via Virtual Screening

2020

The worldwide spread of &beta

Models MolecularDrugantibiotic resistanceGES-5Antibiotic resistancemedia_common.quotation_subjectIn silicoDrug Evaluation Preclinicallcsh:QR1-502Guyana extended-spectrum-β-lactamaseMicrobial Sensitivity TestsComputational biologyBiologyBiochemistrybeta-LactamasesArticlelcsh:Microbiologyguyana extended-spectrum-β-lactamasecarbapenemase03 medical and health sciencesAntibiotic resistanceBacterial ProteinsDrug Resistance BacterialHumansAntibiotic resistance; GES-5; Guyana extended-spectrum-β-lactamase; carbapenemase; virtual screening; docking; noncovalent inhibitionges-5noncovalent inhibitionMolecular Biology030304 developmental biologymedia_common0303 health sciencesVirtual screening030306 microbiologyAntibiotic resistance; Carbapenemase; Docking; GES-5; Guyana extended-spectrum-β-lactamase; Noncovalent inhibition; Virtual screeningHit to leadvirtual screeningAntimicrobialAnti-Bacterial AgentsCarbapenemsdockingBiomolecules
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Molecular Lead Clusters?From Unexpected Discovery to Rational Synthesis

2004

Models MolecularSiliconLead (geology)LeadChemistryOrganometallic CompoundsGeneral ChemistryCrystallography X-RayCombinatorial chemistryCatalysisAngewandte Chemie International Edition
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A synthetic method for diversification of the P1′ substituent in phosphinic dipeptides as a tool for exploration of the specificity of the S1′ bindin…

2007

Abstract A novel, general, and versatile method of diversification of the P1′ position in phosphinic pseudodipeptides, presumable inhibitors of proteolytic enzymes, was elaborated. The procedure was based on parallel derivatization of the amino group in the suitably protected phosphinate building blocks with appropriate alkyl and aryl halides. This synthetic strategy represents an original approach to phosphinic dipeptide chemistry. Its usefulness was confirmed by obtaining a series of P1′ modified phosphinic dipeptides, inhibitors of cytosolic leucine aminopeptidase, through computer-aided design basing on the structure of homophenylalanyl-phenylalanine analogue (hPheP[CH 2 ]Phe) bound in …

Models MolecularStereochemistryClinical BiochemistryLAP inhibitorsSubstituentPharmaceutical SciencePhosphinateLigandsBiochemistryAminopeptidaseLeucyl AminopeptidaseStructure-Activity Relationshipchemistry.chemical_compoundDrug DiscoveryP1′ diversificationcross-couplingMolecular BiologyalkylationBinding SitesDipeptideMolecular StructurebiologyOrganic ChemistryProteolytic enzymesActive siteHydrogen BondingStereoisomerismDipeptidesPhosphinic Acidsphosphinic pseudodipeptideschemistrybiology.proteinMolecular MedicineLeucineLead compoundBioorganic & Medicinal Chemistry
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Effect of tin and lead chlorotriphenyl analogues on selected living cells.

2010

Three kinds of living cells, human embryonic kidney cells, Saccharomyces cerevisiae, and Escherichia coli, were tested for their sensitivity to chlorotriphenyltin and chlorotriphenyllead. The tin compound proved definitely more toxic than the lead derivative, particularly in the case of the human embryonic kidney cells devoid of any protective cell wall. Electron paramagnetic resonance (EPR) comparative studies carried out by using a natural model liposome system (egg yolk lecithin) confirmed considerable changes within the lipid bilayer upon doping by the aforementioned additives, which may be crucial to the mechanism of the observed cell cleavage. The individual dopants revealed diverse i…

Models Molecularfood.ingredientCell SurvivalHealth Toxicology and MutagenesisCellMolecular Conformationchemistry.chemical_elementSaccharomyces cerevisiaeToxicologyCleavage (embryo)BiochemistryLecithinCell wallfoodLecithinsmedicineEscherichia coliOrganometallic CompoundsOrganotin CompoundsHumansChlorotriphenyltinLipid bilayerMolecular BiologyLiposomeElectron Spin Resonance SpectroscopyGeneral MedicineYeastChlorotriphenylleadElectron Paramagnetic Resonancemedicine.anatomical_structureMembraneHEK293 CellsBiochemistrychemistryLeadHuman Embryonic Kidney CellsLiposomesMolecular MedicineTinJournal of biochemical and molecular toxicology
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