Search results for "Phene"

showing 10 items of 863 documents

Anti-inflammatory and analgesic activity of a novel inhibitor of microsomal prostaglandin E synthase-1 expression

2009

Abstract In a previous study, we reported a new γ-hydroxybutenolide derivative, 4-benzo[ b ]thiophen-2-yl-3-bromo-5-hydroxy-5 H -furan-2-one (BTH), as inhibitor of microsomal prostaglandin E synthase-1 (mPGES-1) expression in lypopolysaccharide (LPS) stimulated RAW 264.7 and TPH-1 cells, without affecting cyclooxygenase-2 (COX-2). In this study, we evaluated the in vivo effect of BTH on some acute and chronic inflammatory animal models in relation to its inhibitory profile on mPGES-1 expression. In the zymosan-induced mouse air pouch model, BTH produced a dose-dependent inhibition of prostaglandin E 2 (PGE 2 ) production and mPGES-1 protein expression in pouch exudates without any effect on…

Blood PlateletsMaleNeutrophilsmedicine.drug_classmedicine.medical_treatmentAnti-Inflammatory AgentsProstaglandinInflammationThiophenesAcetatesPharmacologyProstaglandin E synthaseLeukotriene B4Gene Expression Regulation EnzymologicAnti-inflammatoryMicechemistry.chemical_compound4-ButyrolactoneIn vivomedicineAnimalsHumansProstaglandin-E SynthasesInflammationPharmacologyAnalgesicsBehavior AnimalbiologyArthritis ExperimentalIntramolecular OxidoreductasesThromboxane B2BiochemistrychemistryHyperalgesiaChronic DiseaseHyperalgesiabiology.proteinCattlelipids (amino acids peptides and proteins)Arachidonic acidmedicine.symptomProstaglandin E
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Theoretical Characterization of the Electronic Structure of Poly(Heteroaromatic Vinylenes)

1990

Since the pioneering work of the mid-seventies, the number of organic π-conjugated polymers, that can be made highly conducting upon appropriate chemical treatment, has grown tremendously. Among the most studied of these compounds are those based on fivemembered heteroaromatic rings, such as polythiophene (PT) and polypyrrole (PPy). The attractiveness of these polymers, relative to polyacetylene (PA) and poly(p-phenylene) (PPP), is the high chemical and thermal stability they show.1

Bond lengthchemistry.chemical_classificationPolyacetylenechemistry.chemical_compoundMaterials sciencechemistryElectron affinityPolymer chemistryPolythiopheneThermal stabilityElectronic structurePolymerPolypyrrole
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Drug Screening Boosted by Hyperpolarized Long-Lived States in NMR

2014

International audience; : Transverse and longitudinal relaxation times (T1ρ and T1 ) have been widely exploited in NMR to probe the binding of ligands and putative drugs to target proteins. We have shown recently that long-lived states (LLS) can be more sensitive to ligand binding. LLS can be excited if the ligand comprises at least two coupled spins. Herein we broaden the scope of ligand screening by LLS to arbitrary ligands by covalent attachment of a functional group, which comprises a pair of coupled protons that are isolated from neighboring magnetic nuclei. The resulting functionalized ligands have longitudinal relaxation times T1 ((1) H) that are sufficiently long to allow the powerf…

BromidesMagnetic Resonance SpectroscopyStereochemistryDrug Evaluation PreclinicalThiophenesLigands010402 general chemistry01 natural sciencesBiochemistrydynamic nuclear polarizationchemistry.chemical_compoundNMR spectroscopyCatalytic DomainDrug DiscoveryGeneral Pharmacology Toxicology and PharmaceuticsPharmacologySpins[CHIM.ORGA]Chemical Sciences/Organic chemistry010405 organic chemistryDrug discoveryOrganic ChemistryRelaxation (NMR)ProteinsNuclear magnetic resonance spectroscopyFull PapersLigand (biochemistry)0104 chemical sciencesCrystallographychemistryCovalent bondlong-lived statesExcited stateFunctional groupMolecular MedicineChemMedChem
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Comparison of the performance of butanol and pentanol as modifiers in the micellar chromatographic determination of some phenethylamines

2000

Abstract A procedure was developed for the determination of several phenethylamines (amphetamine, arterenol, ephedrine, phenylephrine, phenylpropanolamine, mephentermine, methoxyphenamine, pseudoephedrine and tyramine), using micellar mobile phases of sodium dodecyl sulfate (SDS), a C18 column and UV detection. The drugs were eluted at short retention times with conventional acetonitrile–water or methanol–water mobile phases. In contrast, in the micellar system, they were strongly retained due to association with the surfactant adsorbed on the stationary phase, and needed the addition of butanol or pentanol to be eluted from the column. These modifiers allowed a simple way of controlling th…

ButanolsPhenethylaminesSensitivity and SpecificityBiochemistryMicellar electrokinetic chromatographyAnalytical Chemistrychemistry.chemical_compoundPentanolsPhenethylaminesmedicineEphedrineChromatography High Pressure LiquidMicellesChromatographyMethoxyphenamineElutionButanolOrganic ChemistryReproducibility of ResultsGeneral MedicinePseudoephedrinePharmaceutical PreparationschemistryIndicators and ReagentsSpectrophotometry UltravioletPhenylpropanolaminemedicine.drugJournal of Chromatography A
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Potential models for the simulation of methane adsorption on graphene: development and CCSD(T) benchmarks

2018

Different force fields for the graphene–CH4 system are proposed including pseudo-atom and full atomistic models. Furthermore, different charge schemes are tested to evaluate the electrostatic interaction for the CH4 dimer. The interaction parameters are optimized by fitting to interaction energies at the DFT level, which were themselves benchmarked against CCSD(T) calculations. The potentials obtained with both the pseudo-atom and full atomistic approaches describe accurately enough the average interaction in the methane dimer as well as in the graphene–methane system. Moreover, the atom–atom potentials also correctly provide the energies associated with different orientations of the molecu…

CCSD calculationsPotential modelsUNESCO::QUÍMICADimerGeneral Physics and AstronomyThermodynamics02 engineering and technology010402 general chemistry:QUÍMICA [UNESCO]7. Clean energy01 natural sciencesStability (probability)MethaneCCSD calculations Potential models methane adsorptionlaw.inventionchemistry.chemical_compoundlawPhysics::Atomic and Molecular ClustersMoleculePhysics::Chemical PhysicsPhysical and Theoretical ChemistryBond energymethane adsorptionCondensed Matter::Quantum GasesPhysicsGrapheneCharge (physics)Interaction energy021001 nanoscience & nanotechnology0104 chemical scienceschemistry0210 nano-technologyPhysical Chemistry Chemical Physics
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Photocatalytic CO 2 Valorization by Using Ti O2 , ZrO2 and Graphitic Based Semiconductors

2018

In this century, a broad scientific interest has been devoted to fulfill sustainable industrial processes and climatic change remediation. In this prospective, various green technologies have been studied to valorize CO 2• The aim of this research is the CO 2 reduction in presence of water by using the photocatalytic technology with nanomaterials as the photocatalysts. The present work overviews the main outcomes obtained by using graphitic and oxide based photocatalysts both in gas/solid and liquid/solid batch reactors under simulated solar light. In all gas/solid regime tests the major products detected were methane, carbon monoxide, and acetaldehyde.

CO2 photoreductionPhotocatalysis.oxidesgrapheneoxideSettore CHIM/07 - Fondamenti Chimici Delle TecnologiePhotocatalysiscarbon nitrideCO2 valorization
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CONTROLLING THE FUNCTIONALIZATION OF CARBON NANOTUBES AND GRAPHENE NANOPLATELETS

2013

The functionalization of carbon nanostructures by diazonium chemistry is a versatile strategy to obtain soluble nanomaterials with degrees of functionalization among the highest ever reported.[1,2] Starting from these premises we have studied the functionalization of single, double and multi-walled carbon nanotubes and graphene nanoplatelets by addition of aryl diazonium salts generated in situ by treatment of 4-substituted anilines with isopentylnitrite. Taking advantage of highly controlled flow synthesis [3-5] and following a thorough purification and characterization protocol (UV-vis, TGA, ATR-IR, AFM and other surface tools), we have investigated the key parameters to obtain both funct…

Carbon Nanotubes Graphene
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Functionalization of Metal and Carbon Nanoparticles with Potential in Cancer Theranostics

2021

Cancer theranostics is a new concept of medical approach that attempts to combine in a unique nanoplatform diagnosis, monitoring and therapy so as to provide eradication of a solid tumor in a non-invasive fashion. There are many available solutions to tackle cancer using theranostic agents such as photothermal therapy (PTT) and photodynamic therapy (PDT) under the guidance of imaging techniques (e.g., magnetic resonance—MRI, photoacoustic—PA or computed tomography—CT imaging). Additionally, there are several potential theranostic nanoplatforms able to combine diagnosis and therapy at once, such as gold nanoparticles (GNPs), graphene oxide (GO), superparamagnetic iron oxide nanoparticles (SP…

Carbon nanoparticlesMaterials scienceCancer therapySuperparamagnetic iron oxide nanoparticlesCarbon NanoparticlesMetal NanoparticlesPharmaceutical ScienceNanotechnologyReviewTheranostic NanomedicineAnalytical Chemistrylaw.inventionQD241-441BiopolymersCancer MedicinelawCell Line TumorNeoplasmsDiagnosisDrug DiscoverymedicineCarbon dotsHumansPhysical and Theoretical ChemistryConjugationGraphenePrecision medicineOrganic ChemistryCancerPhotothermal therapyTheranosticsmedicine.diseaseCarbonSettore CHIM/09 - Farmaceutico Tecnologico ApplicativoChemistry (miscellaneous)Colloidal goldMolecular MedicineSurface modificationGraphiteGrapheneMolecules
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Ensemble-based ADME-Tox profiling and virtual screening for the discovery of new inhibitors of the Leishmania mexicana cysteine protease CPB2.8ΔCTE

2018

Abstract: In an effort to identify novel molecular warheads able to inhibit Leishmania mexicana cysteine protease CPB2.8CTE, fused benzo[b]thiophenes and ,'-triketones emerged as covalent inhibitors binding the active site cysteine residue. Enzymatic screening showed a moderate-to-excellent activity (12%-90% inhibition of the target enzyme at 20m). The most promising compounds were selected for further profiling including in vitro cell-based assays and docking studies. Computational data suggest that benzo[b]thiophenes act immediately as non-covalent inhibitors and then as irreversible covalent inhibitors, whereas a reversible covalent mechanism emerged for the 1,3,3'-triketones with a Y-to…

Cell SurvivalLeishmania mexicanaProtozoan ProteinsADME-Tox; Benzo[b]thiophenes; Cysteine protease; Leishmaniasis; TriketonesThiophenesCysteine Proteinase Inhibitors010402 general chemistry01 natural sciencesBiochemistryLeishmania mexicanaCysteine Proteinase InhibitorsCell LineInhibitory Concentration 50Structure-Activity RelationshipCysteine ProteasesCatalytic DomainDrug DiscoveryHumansStructure–activity relationshipcysteine proteaseBinding siteADME-Tox; benzo[b]thiophenes; cysteine protease; leishmaniasis; triketones; Biochemistry; Molecular MedicineBiologyleishmaniasisPharmacologychemistry.chemical_classificationVirtual screeningBinding Sitesbiology010405 organic chemistryPharmacology. TherapyOrganic Chemistrytriketonesbiology.organism_classificationCysteine protease0104 chemical sciencesMolecular Docking SimulationChemistryEnzymeBiochemistrychemistryDocking (molecular)ADME-ToxMolecular Medicinebenzo[b]thiophenes
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Differentiation of herpes simplex virus-induced fusion from without and fusion from within by cyclosporin A and compound 48/80.

1991

Treating strains of herpes simplex virus (HSV) in culture with either cyclosporin A or compound 48/80, allowed the strains to be divided into two groups. Group 1 contains the strains ANG and HFEM of HSV-1 and Lux syn (HSV-2) producing fusion from within (FFWI) and fusion from without (FFWO). Cyclosporin A fails to inhibit both types of fusion at concentrations up to 100 microM. Strains ANG and HFEM belong to the syn 3 marker locus group identified for HSV-1. Group 2 contains all other fusion-producing strains of HSV tested so far. Cyclosporin A inhibits FFWI at concentrations as low as 10 to 20 microM. These strains belong to the syn locus marker groups 1, 2, 4 and 5. From the fact that mut…

Cell fusionbiologyCyclosporinsCompound 48/80biology.organism_classificationmedicine.disease_causeVirus ReplicationVirologyVirusCell Fusionchemistry.chemical_compoundStructure-Activity RelationshipHerpes simplex viruschemistryCell cultureVirologyCyclosporin aAlphaherpesvirinaemedicineAnimalsSimplexvirusp-Methoxy-N-methylphenethylamineVero CellsCyclophilinThe Journal of general virology
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