Search results for "combinatorial"

showing 10 items of 1208 documents

Room-Temperature Phosphorescence and Efficient Singlet Oxygen Production by Cyclometalated Pt(II) Complexes with Aromatic Alkynyl Ligands

2020

The synthesis of five novel cyclometalated platinum(II) compounds containing five different alkynyl-chromophores was achieved by the reaction of the previously synthesized Pt–Cl cyclometalated compound (1) with the corresponding RC≡CH by a Sonogashira reaction. It was observed that the spectral and photophysical characteristics of the cyclometalated platinum(II) complexes (Pt–Ar) are essentially associated with the platinum-cyclometalated unit. Room-temperature emission of the Pt–Ar complexes was attributed to phosphorescence in agreement with DFT calculations. Broad nanosecond (ns)-transient absorption spectra were observed with decays approximately identical to those obtained from the emi…

010405 organic chemistrySinglet oxygenPhosphorescenceluminesenssichemistry.chemical_elementkompleksiyhdisteetorganometalliyhdisteetOxigen010402 general chemistryLigands01 natural sciencesCombinatorial chemistry0104 chemical sciencesInorganic ChemistryOxygenchemistry.chemical_compoundhappiLligandschemistryFosforescènciaPhysical and Theoretical ChemistryPhysics::Chemical PhysicsPhosphorescencePlatinum
researchProduct

Thiourea-Catalyzed Domino Michael–Mannich [3+2] Cycloadditions: A Strategy for the Asymmetric Synthesis of 3,3′-Pyrrolidinyl-dispirooxindoles

2017

The asymmetric synthesis of trifluoromethylated 3,3′-pyrrolidinyl-dispirooxindole derivatives with four contiguous stereogenic centers, including two vicinal spiro-stereocenters, is described. Employing a bifunctional thiourea catalyst, a domino Michael–Mannich [3+2] cycloaddition occurs readily between isatin ketimines and isatin-derived enoates with good yields and very high stereoselectivities, providing a direct entry to the title compounds of potential medical value.

010405 organic chemistryStereochemistryIsatinOrganic ChemistryEnantioselective synthesis010402 general chemistry01 natural sciencesCombinatorial chemistryCycloadditionDomino0104 chemical sciencesStereocenterchemistry.chemical_compoundchemistryCascade reactionThioureaOrganocatalysisSynlett
researchProduct

Microporous Triptycene‐Based Affinity Materials on Quartz Crystal Microbalances for Tracing of Illicit Compounds

2019

Triptycene-based organic molecules of intrinsic microporosity (OMIMs) with extended functionalized π-surfaces are excellent materials for gas sorption and separation. In this study, the affinities of triptycene-based OMIM affinity materials on 195 MHz high-fundamental-frequency quartz crystal microbalances (HFF-QCMs) for hazardous and illicit compounds such as piperonal and (-)-norephedrine were determined. Both new and existing porous triptycene-based affinity materials were investigated, resulting in very high sensitivities and selectivities that could be applied for sensing purposes. Remarkable results were found for safrole - a starting material for illicit compounds such as ecstasy. A …

010405 organic chemistrySupramolecular chemistrySorptionGeneral ChemistryMicroporous material010402 general chemistry01 natural sciencesCombinatorial chemistry0104 chemical sciencesCrystalchemistry.chemical_compoundPiperonalchemistryTriptycenePorosityQuartzChemPlusChem
researchProduct

The Chemo- and Stereoselective Formation of Pallado- and Platinocryptophanes

2019

International audience

010405 organic chemistry[CHIM.ORGA]Chemical Sciences/Organic chemistrychemistry.chemical_element010402 general chemistry01 natural sciencesCombinatorial chemistry0104 chemical sciencesInorganic Chemistry[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistrySelf sortingchemistry[CHIM]Chemical SciencesStereoselectivity[CHIM.COOR]Chemical Sciences/Coordination chemistryComputingMilieux_MISCELLANEOUSPalladium
researchProduct

Effect of acyl-CoA oxidase activity on the accumulation of gamma-decalactone by the yeast Yarrowia lipolytica: a factorial approach.

2007

International audience; beta-Oxidation is a cyclic pathway involved in the degradation of lipids. In yeast, it occurs in peroxisomes and the first step is catalyzed by an acyl-CoA oxidase (Aoxp). The yeast Yarrowia lipolytica possesses several genes (POX) coding for Aoxps. This study is based on the factorial analysis of results obtained with the many POX derivative strains that have been constructed previously. The effect of interactions between Aoxps on the acyl-CoA oxidase (Aox) activity was important even at the second order. We then investigated the effect of Aox activity on growth and lactone production. Aox activity was correlated with acidification of the medium by cells and with ce…

0106 biological sciencesYarrowia lipolyticaMESH: Enzyme ActivationMetabolic Clearance RateMESH: Factor Analysis StatisticalYarrowiaBiologymodèleModels Biological01 natural sciencesApplied Microbiology and BiotechnologyLactones03 medical and health sciencesEnzyme activatorSpecies SpecificityMESH: Computer Simulation010608 biotechnologyCombinatorial Chemistry TechniquesAcyl-CoA oxidaseMESH: Species SpecificityComputer Simulation030304 developmental biologychemistry.chemical_classificationMESH: Metabolic Clearance Rate0303 health sciencesOxidase testmétabolisme des acides grasAcyl-CoA oxidase activityMESH: Acyl-CoA OxidaseMESH: Models BiologicalYarrowia[SDV.BBM.BM]Life Sciences [q-bio]/Biochemistry Molecular Biology/Molecular biologyGeneral MedicinePeroxisomebiology.organism_classificationYeastEnzyme ActivationBiochemistrychemistrylactoneMolecular MedicineMESH: Combinatorial Chemistry TechniquesMESH: YarrowiaAcyl-CoA OxidaseFactor Analysis StatisticalLactoneMESH: Lactones
researchProduct

Strategic Thinking under social influence: Scalability, stability and robustness of allocations

2016

This paper studies the strategic behavior of a large number of game designers and studies the scalability, stability and robustness of their allocations in a large number of homogeneous coalitional games with transferable utilities (TU). For each TU game, the characteristic function is a continuous-time stochastic process. In each game, a game designer allocates revenues based on the extra reward that a coalition has received up to the current time and the extra reward that the same coalition has received in the other games. The approach is based on the theory of mean-field games with heterogeneous groups in a multi-population regime.

0209 industrial biotechnologyNon-cooperative gameGame mechanicsSequential gameComputer scienceComputingMilieux_PERSONALCOMPUTINGGeneral EngineeringCombinatorial game theory02 engineering and technology01 natural sciencesOptimal control010101 applied mathematicsMicroeconomicsDifferential game020901 industrial engineering & automationMean-field gameRepeated gameSimultaneous gameMean-field games; Coalitional game theory; Differential games; Optimal controlCoalitional game theorySettore MAT/09 - Ricerca Operativa0101 mathematicsVideo game designGame theoryMathematical economics
researchProduct

2,3-Dihydrobenzofuran privileged structures as new bioinspired lead compounds for the design of mPGES-1 inhibitors

2016

International audience; 2,3-Dihydrobenzofurans are proposed as privileged structures and used as chemical platform to design small compound libraries. By combining molecular docking calculations and experimental verification of biochemical interference, we selected some potential inhibitors of microsomal prostaglandin E2 synthase (mPGES)-1. Starting from low affinity natural product 1, by our combined approach we identified the compounds 19 and 20 with biological activity in the low micromolar range. Our data suggest that the 2,3-dihydrobenzofuran derivatives might be suitable bioinspired lead compounds for development of new generation mPGES-1 inhibitors with increased affinity.

0301 basic medicine300323-Dihydrobenzofuran privileged structure; Cancer; Inflammation; Molecular docking; mPGES-1 inhibitors; Biochemistry; Clinical Biochemistry; Molecular Biology; Molecular Medicine; Organic Chemistry; Drug Discovery3003 Pharmaceutical Science; 3003Amino Acid MotifsClinical BiochemistryGene ExpressionPharmaceutical Science01 natural sciencesClinical biochemistryBiochemistry[ CHIM ] Chemical SciencesProtein Structure Secondary[ SDV.CAN ] Life Sciences [q-bio]/Cancerchemistry.chemical_compoundLow affinityDrug DiscoveryEnzyme Inhibitors23-Dihydrobenzofuran privileged structure; Molecular docking; mPGES-1 inhibitors; Cancer; InflammationProstaglandin-E SynthasesCancerAnti-Inflammatory Agents Non-SteroidalBiological activityProto-Oncogene Proteins c-metIntramolecular OxidoreductasesMolecular Docking SimulationMolecular dockingMolecular Medicinelipids (amino acids peptides and proteins)Cell SurvivalStereochemistryMolecular Sequence Data2Antineoplastic Agents[SDV.CAN]Life Sciences [q-bio]/Cancer3-Dihydrobenzofuran privileged structureInhibitory Concentration 50Structure-Activity Relationship03 medical and health sciencesCell Line TumorMicrosomesHumans[CHIM]Chemical SciencesMolecular BiologyBenzofuransInflammationNatural product010405 organic chemistryDrug Discovery3003 Pharmaceutical ScienceOrganic ChemistryEpithelial CellsmPGES-1 inhibitorsCombinatorial chemistryCombined approach0104 chemical sciences030104 developmental biologychemistryDrug DesignDrug Screening Assays Antitumor
researchProduct

An overview on the recent developments of 1,2,4-triazine derivatives as anticancer compounds

2017

The synthesis, the antitumor activity, the SAR and, whenever described, the possible mode of action of 1,2,4-triazine derivatives, their N-oxides, N,. N'-dioxides as well as the benzo- and hetero-fused systems are reported. Herein are treated derivatives disclosed to literature from the beginning of this century up to 2016. Among the three possible triazine isomers, 1,2,4-triazines are the most studied ones and many derivatives having remarkable antitumor activity have been reported in the literature and also patented reaching advanced phases of clinical trials.

0301 basic medicine4-benzotriazine124-triazineAntineoplastic AgentsChemistry Techniques SyntheticAntiproliferative activity01 natural sciences03 medical and health scienceschemistry.chemical_compoundNeoplasmsDrug DiscoveryOrganic chemistryAnimalsHumans124-triazineMode of action124-benzotriazineTriazineAntitumor activityPharmacology010405 organic chemistryChemistryTriazinesNitrogen heterocyclesDrug Discovery3003 Pharmaceutical Science1; 2; 4-benzotriazine; 1; 2; 4-triazine; Antiproliferative activity; Antitumor activity; Nitrogen heterocycles; Pharmacology; Drug Discovery3003 Pharmaceutical Science; Organic ChemistryOrganic ChemistryGeneral MedicineCombinatorial chemistrySettore CHIM/08 - Chimica Farmaceutica0104 chemical sciences030104 developmental biologyNitrogen heterocycleDrug Screening Assays AntitumorAntitumor activity
researchProduct

Synthesis and antitumor activities of 1,2,3-triazines and their benzo- and heterofused derivatives

2017

1,2,3-Triazines are a class of biologically active compounds that exhibit a broad spectrum of activities, including antibacterial, antifungal, antiviral, antiproliferative, analgesic and anti-inflammatory properties. This review, which covers the literature from the end of last century to 2016, treats, through a comprehensive, systematic approach, the 1,2,3-triazine and related benzo- and hetero-fused derivatives possessing antitumor activity. Their efficacy, combined with a simple synthesis confers to these molecules a great potential as scaffold for the development of antitumor compounds.

0301 basic medicineAntifungalModels MolecularHetero-fused 1123-Triazines Benzo[123]triazines Hetero-fused 123-triazines Antiproliferative activity Antitumor activity Nitrogen heterocyclesStereochemistrymedicine.drug_class12Antineoplastic AgentsChemistry Techniques SyntheticAntiproliferative activity01 natural sciences03 medical and health sciencesBroad spectrumNeoplasmsDrug DiscoverymedicineBenzene DerivativesAnimalsHumans3]triazinesPharmacologyAntitumor activity3-triazines1; 2; 3-Triazines; Benzo[1; 2; 3]triazines; Hetero-fused 1; 2; 3-triazines; Antiproliferative activity; Antitumor activity; Nitrogen heterocyclesBenzo[1ChemistryTriazinesNitrogen heterocyclesOrganic ChemistryBiological activityGeneral MedicineSettore CHIM/08 - Chimica FarmaceuticaCombinatorial chemistry0104 chemical sciences010404 medicinal & biomolecular chemistry030104 developmental biologyAntitumor activity
researchProduct

Controlled Transdermal Release of Antioxidant Ferulate by a Porous Sc(III) MOF

2020

Summary The Sc(III) MOF-type MFM-300(Sc) is demonstrated in this study to be stable under physiological conditions (PBS), biocompatible (to human skin cells), and an efficient drug carrier for the long-term controlled release (through human skin) of antioxidant ferulate. MFM-300(Sc) also preserves the antioxidant pharmacological effects of ferulate while enhancing the bio-preservation of dermal skin fibroblasts, during the delivery process. These discoveries pave the way toward the extended use of Sc(III)-based MOFs as drug delivery systems (DDSs).

0301 basic medicineAntioxidantmedicine.medical_treatmentHuman skin02 engineering and technologyArticleInorganic Chemistry03 medical and health sciencesmedicine[CHIM]Chemical Scienceslcsh:ScienceComputingMilieux_MISCELLANEOUSTransdermalMultidisciplinaryintegumentary systemChemistry021001 nanoscience & nanotechnologyBiocompatible materialControlled releaseCombinatorial chemistry3. Good healthChemistry030104 developmental biologyDrug deliveryMedicinelcsh:Q0210 nano-technologyDrug carrierMaterials Structure
researchProduct