Search results for "Molecular chemistry"

showing 10 items of 1103 documents

Organotin(IV) trifluoromethanesulfonates chemistry: Isolation and characterization of a new di-n-butyl derivative presenting a Sn3O3 core

2012

Abstract Reaction of the dimeric hydroxo di-n-butylstannane trifluoromethanesulfonato complex [n-Bu2Sn(OH)(H2O)(CF3SO3)]2 (1) with a mixture of anthracene (C14H10, Ant) and phenazine (C12H8N2, Phz) in dichloromethane at room temperature yielded the novel di-n-butyltin(IV) trifluoromethanesulfonate salt {[n-Bu2Sn(H2O)]2O·n-Bu2Sn(OH)2}(CF3SO3)2 (2), together with the co-crystallization of phenazinium trifluoromethanesulfonate salts ([C12H9N2][CF3SO3], PhzH) collected in the solid state in two distinct self-assembled architectures, 3 and 4, showing π–π stacking interactions, and involving the intercalation of free molecules of phenazine and anthracene, respectively. Complex 2 is a cationic tri…

AnthraceneHydrogen bondStereochemistryPhenazineSupramolecular chemistryCrystal engineeringInorganic Chemistrychemistry.chemical_compoundCrystallographyTrigonal bipyramidal molecular geometrychemistryMaterials ChemistryMoleculePhysical and Theoretical ChemistryTrifluoromethanesulfonateInorganica Chimica Acta
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Ion-Pairing Effects in the Self-Assembly of a Fluorescent Pseudorotaxane

2006

Herein we report on the self-assembly, in a low polarity solvent, of a pseudorotaxane species comprising binaphthyl-26-crown-8 (BN26C8) as the macrocyclic host and anthracenyl-benzylammonium as the threadlike positively charged guest (ABH+). Absorption and luminescence data reveal a very efficient energy transfer process occurring from the binaphthyl to the anthracene singlet excited states. The self-assembly is highly dependent on the nature of the counteranion confirming the crucial role played by it in the competition between the self-assembly process and the formation of ion pairs (ABH+X-). This behavior can be readily evidenced in dilute solutions from the analysis of the luminescence …

AnthraceneIon pairsRotaxanesPhotochemistryStereochemistryOrganic ChemistrySupramolecular chemistrySelf-assemblychemistry.chemical_compoundCrystallographyTRISPHATMolecular recognitionchemistryHexafluorophosphateddc:540Proton NMRSinglet stateMolecular recognitionPhysical and Theoretical ChemistryLuminescenceEuropean Journal of Organic Chemistry
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Effect of molecular geometry and extended conjugation on the performance of hydrogen-bonded semiconductors in organic thin-film field-effect transist…

2021

A general synthetic method has been used for the condensation of the 7-azaindole substructure at both extremes of centrosymmetric fused polyheteroaromatic systems. Four different aromatic spacers (benzene, naphthalene, anthracene and pyrene) that modify the molecular geometry and the π-conjugated surface have proved the ability of 7-azaindole to work as a building block that can control the crystal packing through reciprocal hydrogen bond interactions. Two possible self-assembled columnar arrangements have been observed as a result of the π–π interactions between hydrogen-bonded ribbon-like supramolecular structures. A detailed comparative analysis of the molecular organisation driven by hy…

AnthraceneMaterials scienceHydrogenHydrogen bondSupramolecular chemistrychemistry.chemical_elementGeneral ChemistryCrystalchemistry.chemical_compoundMolecular geometrychemistryChemical physicsMaterials ChemistryPyreneThin filmJournal of Materials Chemistry C
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Self-assembly of 1- and 2-Dimensional Multicompartmental Arrays via the 2-Aminopyrimidine H-Bonding Motif and Selective Guest Inclusion

2000

Abstract The H-bond mediated self-assembly of aminopyrimidine substituted anthracene derivatives 4 and 5, respectively, generate 1- and 2-dimensional multicompartmental arrays in the solid state as revealed by X-ray crystallographic analysis. The derived ‘pigeon-hole’ lattice is defined by syn-coplanar positioning of anthracene moieties at a distance of ca. 7 A, allowing the formation of selective clathrate-type inclusion entities with guests of appropriate shape and size, in particular phenazine, which presents both structural and interactional complementarity. These data provide insight into the interplay of the different structural and interactional features of the molecular components t…

AnthraceneStereochemistryHydrogen bondOrganic ChemistryPhenazineSupramolecular chemistrySolid-stateCrystal engineeringBiochemistrychemistry.chemical_compoundCrystallographychemistryDrug DiscoverySelf-assemblyTetrahedron
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Anti-Pseudomonas aeruginosa activity of hemlock (Conium maculatum, Apiaceae) essential oil

2018

Conium maculatum is a nitrophilous weed belonging to the Apiaceae family and occurring in hedgerows, pastures, waste ground, along rivers and roadsides. Little is known on the chemistry and bioactivity of other secondary metabolites occurring in the plant. In the present work, we have analysed the chemical composition and antimicrobial activity of the essential oils hydrodistilled from leaves and inflorescenes of C. maculatum growing in Sicily, Italy. The composition of essential oils was achieved by gas chromatography-mass spectrometry (GC-MS) analysis, whereas the inhibitory effects on the growth of two Gram negative strains, namely Escherichia coli and Pseudomonas aeruginosa were assesse…

Anti-Infective AgentAlkeneved/biology.organism_classification_rank.speciesPlant Sciencemedicine.disease_cause01 natural sciencesBiochemistryConium maculatumessential oilGas Chromatography-Mass SpectrometryAnalytical Chemistrylaw.inventionchemistry.chemical_compoundPiperidinelawBotanymedicineEscherichia coliOils Volatilechemical compositionSicilyEssential oilDistillationAcyclic MonoterpeneApiaceaeantimicrobial activitybiology010405 organic chemistryved/biologyPseudomonas aeruginosaMicrobial Sensitivity TestOrganic ChemistryConium maculatumAntimicrobialbiology.organism_classificationHemlock0104 chemical sciences010404 medicinal & biomolecular chemistrychemistryMyrcenePseudomonas aeruginosaComposition (visual arts)WeedPlant LeaveApiaceae
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Chemical composition of the essential oil from Thapsia garganica L. (Apiaceae) grown wild in Sicily and its antimicrobial activity.

2015

In this study, the chemical composition of the essential oil from flowers and leaves of Thapsia garganica L. collected in Sicily was evaluated by GC and GC-MS. The main components of T. garganica flower oil (T.f.) were chamazulene (58.3%), humulene oxide II (9.0%), tricosane (8.2%) and pentacosane (8.2%). Also the oil from leaves (T.l.) was characterised by high content of chamazulene (49.2%). Other abundant metabolites were 1,4-dimethylazulene (18.5%), (E)-phytol (6.3%) and neophytadiene (5.1%). The comparison with other studied oils of genus Thapsia is discussed. Antimicrobial activity against several micro-organisms, including some ones infesting historical art craft, was also determined.

Anti-Infective AgentAntifungal Agentshumulene oxide IIPlant Science01 natural sciencesThapsia garganicaBiochemistrylaw.inventionAnalytical Chemistrychemistry.chemical_compoundAnti-Infective AgentslawAntifungal AgentSettore BIO/15 - Biologia FarmaceuticaChemical compositionSicilyThapsia1-dimethylazulenebiologyHumuleneChemistryMicrobial Sensitivity TestchamazuleneAntimicrobialThapsia (plant)Anti-Bacterial Agentsvolatile componentFlowerPlant LeaveThapsia garganicaFlowersMicrobial Sensitivity TestsGas Chromatography-Mass SpectrometryBotanyAnti-Bacterial AgentOils VolatileEssential oilApiaceaeantimicrobial activityBacteria010405 organic chemistryChamazuleneOrganic ChemistryFungiSettore CHIM/06 - Chimica Organicabiology.organism_classification0104 chemical sciencesPlant Leaves010404 medicinal & biomolecular chemistryApiaceaeNatural product research
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The Nonvolatile and Volatile Metabolites of Prangos ferulacea and Their Biological Properties

2019

Abstract Prangos ferulacea (L.) Lindl. (Fam. Apiaceae), an orophilous species of eastern Mediterranean and western Asia, possesses a number of biological properties that are worthy of exploitation in different fields. Phytochemical investigations revealed the presence of coumarins, prenyl-coumarins, and furano-coumarins as the main constituents of this species, as well as several flavonoids. Among prenyl-coumarins, osthol is a promising apoptotic agent quite selective toward cancer cells. In addition, the essential oils have been extensively investigated, and several chemotypes have been identified. This work reviews the literature on this species published between 1965 and 2018, describes …

Anti-Infective AgentPrangos ferulaceaPharmaceutical Science01 natural sciencesAntioxidantsAnalytical Chemistrylaw.inventionchemistry.chemical_compoundAnti-Infective AgentslawDrug Discoveryheterocyclic compoundsAnalgesicsbiologyTraditional medicinePhytochemicalprenyl-coumarinsMolecular MedicineAntioxidantfurano-coumarinOstholHumanCoumarinessential oilBiological propertyAnimalsHumansHypoglycemic AgentsVolatile metabolitesEssential oilPharmacologyPrangos ferulaceacoumarinsApiaceaeHypoglycemic AgentChemotypeAnimalPlant Extracts010405 organic chemistryOrganic ChemistryPrangos ferulacea; Apiaceae; coumarins; prenyl-coumarins; furano-coumarinsSettore CHIM/06 - Chimica Organicabiology.organism_classification0104 chemical sciencesprenyl-coumarin010404 medicinal & biomolecular chemistryComplementary and alternative medicinechemistrySettore BIO/03 - Botanica Ambientale E ApplicataAnalgesicApiaceaefurano-coumarinsPlanta Medica
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Polycerasoidol, a Natural Prenylated Benzopyran with a Dual PPARα/PPARγ Agonist Activity and Anti-inflammatory Effect

2019

Dual peroxisome proliferator-activated receptor-α/γ (PPARα/γ) agonists regulate both lipid and glucose homeostasis under different metabolic conditions and can exert anti-inflammatory activity. We investigated the potential dual PPARα/γ agonism of prenylated benzopyrans polycerasoidol (1) and polycerasoidin (2) and their derivatives for novel drug development. Nine semisynthetic derivatives were prepared from the natural polycerasoidol (1) and polycerasoidin (2), which were evaluated for PPARα, -γ, -δ and retinoid X receptor-α activity in transactivation assays. Polycerasoidol (1) exhibited potent dual PPARα/γ agonism and low cytotoxicity. Structure–activity relationship studies revealed th…

Anti-Inflammatory AgentsRXRα/PPARγPharmaceutical ScienceRetinoid X receptorPharmacology01 natural sciencesAnalytical ChemistryStructure-Activity Relationshipchemistry.chemical_compoundTransactivationPrenylationPOLYCERASOIDOLDrug DiscoveryHumansStructure–activity relationshipGlucose homeostasisBenzopyransPPAR alphaMOLECULAR MODELINGCytotoxicityPrenylationPharmacologyMolecular Structure010405 organic chemistryChemistry[CHIM.ORGA]Chemical Sciences/Organic chemistryOrganic ChemistryCiencias QuímicasNATARUL PRODUCTSPeroxisome0104 chemical sciencesBenzopyranPPAR gamma010404 medicinal & biomolecular chemistryQuímica OrgánicaComplementary and alternative medicineMolecular MedicineCIENCIAS NATURALES Y EXACTAS
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Antifungal activity and tautomeric cyclization equilibria of formylphenylboronic acids

2019

2-Formylphenylboronic acid and four isomeric fluoro-2-formylphenylboronic acids have been found active against a series of fungal strains: Aspergillus, Fusarium, Penicillium and Candida. The level of antifungal activity was evaluated by agar diffusion tests as well as the determination of minimum inhibitory concentrations (MICs) by serial dilution method. Among the tested compounds, 4-fluoro-2-formylphenylboronic acid - an analogue of the known antifungal drug Tavaborole (AN2690) - proved to be the most potent antifungal agent. The tautomeric equilibrium leading to the formation of 3-hydroxybenzoxaboroles as well as the position of the fluorine substituent were revealed to play a crucial ro…

Antifungal Agentsfood.ingredientSerial dilutionStereochemistryAntifungal drugSubstituentMicrobial Sensitivity TestsFormylphenylboronic acid01 natural sciencesBiochemistryStructure-Activity Relationshipchemistry.chemical_compoundfoodFusariumDrug DiscoveryAgarAntifungal activityTautomerizationMolecular BiologyCandidaAspergillusTavaboroleDose-Response Relationship DrugMolecular Structurebiology010405 organic chemistryChemistryOrganic ChemistryPenicilliumCyclization equilibriaOrganoboron compoundsbiology.organism_classificationBoronic AcidsTautomer0104 chemical sciences010404 medicinal & biomolecular chemistryAspergillusCyclizationPenicilliumBioorganic Chemistry
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Chemical composition of essential oils of Anthemis secundiramea Biv. subsp. secundiramea (Asteraceae) collected wild in Sicily and their activity on …

2016

In the present study, the chemical composition of the essential oil from the aerial parts of Anthemis secundiramea Biv. subsp. secundiramea L. collected in Sicily was evaluated by GC and gas chromatography–mass spectrometry. The main components of A. secundiramea were (Z)-lyratyl acetate (14.6%), (Z)-chrysanthenyl acetate (9.9%), (Z)-chrysanthenol (8.7%) and (E)-chrysanthenyl acetate (7.7%). The comparing with other studied oils of genus Anthemis belonging to the same clade is discussed. Antibacterial and antifungal activities against some micro-organisms infesting historical art craft, were also determined.

AntifungalAntifungal Agentsmedicine.drug_classPlant compositionchrysanthenyl derivatives antibacterial and antifungal activityPlant ScienceAsteraceaeBiology01 natural sciencesBiochemistryGas Chromatography-Mass SpectrometryAnalytical Chemistrylaw.inventionBridged Bicyclo CompoundsGenuslawBotanyOils VolatilemedicinePlant OilsAnthemisSettore BIO/15 - Biologia FarmaceuticaSicilyChemical compositionEssential oilAnthemis secundiramea010405 organic chemistryOrganic ChemistrySettore CHIM/06 - Chimica OrganicaAsteraceaebiology.organism_classificationAnti-Bacterial Agents0104 chemical sciences(Z)-lyratyl acetatevolatile component010404 medicinal & biomolecular chemistryAnthemis secundiramea Biv. subsp. secundirameaMonoterpenesAnthemisArtNatural Product Research
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