Search results for "lcsh:Organic chemistry"

showing 10 items of 438 documents

Structural and Molecular Characterization of meso-Substituted Zinc Porphyrins: A DFT Supported Study

2011

Structural parameters of a range of over 100 meso-substituted zinc porphyrins were reviewed and compared to show how far the nature of the functional group may affect the interatomic distances and bond angles within the porphyrin core. It was proved that even despite evident deformations of the molecular structure, involving twisting of the porphyrin's central plane, the coupled π-bonding system remains flexible and stable. DFT calculations were applied to a number of selected porphyrins representative for the reviewed compounds to emphasize the relevance of theoretical methods in structural investigations of complex macrocyclic molecular systems. Experimental and DFT-simulated IR spectral …

Models Molecularzinc porphyrins; molecular structure; DFT theoretical calculations; IR spectraPorphyrinsSpectrophotometry InfraredStereochemistrySurface PropertiesPharmaceutical Sciencechemistry.chemical_elementInfrared spectroscopyContext (language use)molecular structureZincCrystallography X-RayVibrationArticleAnalytical Chemistrylcsh:QD241-441chemistry.chemical_compoundDFT theoretical calculationslcsh:Organic chemistryComputational chemistryDrug Discoveryzinc porphyrins molecular structure DFT theoretical calculations IR spectraSpectroscopy Fourier Transform InfraredMoleculeMoietyComputer SimulationPyrrolesPhysical and Theoretical ChemistryIR spectraOrganic ChemistryPorphyrinzinc porphyrinsZincMolecular geometrychemistryModels ChemicalChemistry (miscellaneous)Functional groupMicroscopy Electron ScanningMolecular MedicineQuantum TheoryMolecules
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Influence of Laccase and Tyrosinase on the Antioxidant Capacity of Selected Phenolic Compounds on Human Cell Lines

2015

Polyphenolic compounds affect the color, odor and taste of numerous food products of plant origin. In addition to the visual and gustatory properties, they serve as radical scavengers and have antioxidant effects. Polyphenols, especially resveratrol in red wine, have gained increasing scientific and public interest due to their presumptive beneficial impact on human health. Enzymatic oxidation of phenolic compounds takes place under the influence of polyphenol oxidases (PPO), including tyrosinase and laccase. Several studies have demonstrated the radical scavenger effect of plants, food products and individual polyphenols in vitro, but, apart from resveratrol, such impact has not been prove…

Monophenol MonooxygenasePlant Extracts530 PhysicsoxidationDPPH•food and beveragesantioxidant activitytyrosinase530 Physikcell culturesArticleAntioxidantsCell LinelaccaseFungal Proteinslcsh:QD241-441lcsh:Organic chemistryHumansOxidation-ReductionpolyphenolsMolecules
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Stereoselective Synthesis and Cytoselective Toxicity of Monoterpene-Fused 2-Imino-1,3-thiazines

2014

Starting from pinane-, apopinane- and carane-based 1,3-amino alcohols obtained from monoterpene-based β-amino acids, a library of monoterpene-fused 2-imino-1,3-thiazines as main products and 2-thioxo-1,3-oxazines as side-products were prepared via two- or three-step syntheses. When thiourea adducts prepared from 1,3-amino alcohols and aryl isothiocyanates were reacted with CDI under mild conditions, O-imidazolylcarbonyl intermediates were isolated which could be transformed to the desired 1,3-thiazines under microwave conditions. 1,3-Thiazines and 2-thioxo-1,3-oxazine side-products could also be prepared in one-step reactions through the application of CDI and microwave irradiation. The rin…

MonoterpeneMolecular ConformationThiazinesPharmaceutical ScienceStereoisomerismArticleAnalytical ChemistryAdductHeLalcsh:QD241-441chemistry.chemical_compoundlcsh:Organic chemistryantiproliferativeCell Line TumorDrug DiscoveryOrganic chemistryHumansPhysical and Theoretical Chemistryta116Cell ProliferationbiologystereoselectiveArylOrganic Chemistry13-thiazineStereoisomerismbiology.organism_classificationCycloalkanechemistryThiourea13-amino alcoholChemistry (miscellaneous)MonoterpenesMolecular MedicineStereoselectivityCDImonoterpeneMolecules
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The Antigerminative Activity of Twenty-Seven Monoterpenes

2010

Made available in DSpace on 2013-08-28T14:11:28Z (GMT). No. of bitstreams: 1 WOS000282221100055.pdf: 183420 bytes, checksum: 31d5a1904cd2424113da7989e2e65f14 (MD5) Made available in DSpace on 2013-09-30T18:36:29Z (GMT). No. of bitstreams: 2 WOS000282221100055.pdf: 183420 bytes, checksum: 31d5a1904cd2424113da7989e2e65f14 (MD5) WOS000282221100055.pdf.txt: 26866 bytes, checksum: 653cedb4f682463998ef7f37cae8dd63 (MD5) Previous issue date: 2010-09-01 Submitted by Vitor Silverio Rodrigues (vitorsrodrigues@reitoria.unesp.br) on 2014-05-20T13:48:46Z No. of bitstreams: 2 WOS000282221100055.pdf: 183420 bytes, checksum: 31d5a1904cd2424113da7989e2e65f14 (MD5) WOS000282221100055.pdf.txt: 26866 bytes, ch…

MonoterpenePharmaceutical ScienceRaphanusphytotoxicityBiologyradicle elongationArticleLepidium sativumRaphanusAnalytical ChemistryBorneollcsh:QD241-441Structure-Activity Relationshipchemistry.chemical_compoundlcsh:Organic chemistryDrug DiscoveryBotanyRadiclePhysical and Theoretical ChemistryCarvoneDose-Response Relationship DrugOrganic Chemistrymonoterpenesfood and beveragesbiology.organism_classificationHorticultureEucalyptolgerminationchemistryChemistry (miscellaneous)GerminationAlcoholsSeedsMonoterpenesMolecular Medicinemonoterpenes; germination; radicle elongation; phytotoxicityGeraniolMolecules
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The Essential Oil Compositions of Three Teucrium Taxa Growing Wild in Sicily: HCA and PCA Analyses

2021

The chemical composition and the qualitative and quantitative variability of the essential oils of three taxa belonging to the Teucrium genus were studied. The investigated taxa, that grow wild in Sicily, were Teucrium flavum L. (section Chamaedrys (Mill.) Scheb.), Teucrium montanum and Teucrium capitatum L. of section Polium (Mill.) Scheb. Essential oils were extracted by hydrodistillation and analyzed by GC-MS. In total, 74 compounds were identified. Sesquiterpene hydrocarbons were found to be the main group for T. flavum (48.3%). T. capitatum consisted essentially of monoterpene hydrocarbons (72.7%), with &alpha

MonoterpeneTeucrium flavum L.Pharmaceutical ScienceBiologySesquiterpene01 natural sciencesessential oilArticleGas Chromatography-Mass SpectrometryAnalytical Chemistrylaw.inventionTeucriumlcsh:QD241-441Teucriumchemistry.chemical_compoundlcsh:Organic chemistrySpecies SpecificityGenuslawDrug DiscoveryBotanyOils VolatileCluster AnalysisPlant OilsPhysical and Theoretical ChemistryTeucrium montanum L.Chemical compositionessential oilsSicilyEssential oilPCAPrincipal Component Analysis<i>Teucrium flavum</i> L.010405 organic chemistryOrganic ChemistryPlant Components Aerialbiology.organism_classification<i>Teucrium capitatum</i> L.<i>Teucrium montanum</i> L.0104 chemical sciences010404 medicinal & biomolecular chemistrychemotaxonomychemistryTeucrium capitatum L.Chemistry (miscellaneous)ChemotaxonomyMolecular MedicineComposition (visual arts)GC-MSMolecules
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1-n-Butyl-3-methylimidazolium-2-carboxylate: a versatile precatalyst for the ring-opening polymerization of ε-caprolactone and rac-lactide under solv…

2013

The ring-opening polymerization of ε-caprolactone (ε-CL) and rac-lactide (rac-LA) under solvent-free conditions and using 1-n-butyl-3-methylimidazolium-2-carboxylate (BMIM-2-CO2) as precatalyst is described. Linear and star-branched polyesters were synthesized by successive use of benzyl alcohol, ethylene glycol, glycerol and pentaerythritol as initiator alcohols, and the products were fully characterized by 1H and 13C{1H} NMR spectroscopy, gel permeation chromatography (GPC), and differential scanning calorimetry (DSC). BMIM-2-CO2 acts as an N-heterocyclic carbene precursor, resulting from in situ decarboxylation, either by heating under vacuo (method A) or by addition of NaBPh4 (method B)…

N-heterocarbene precursorLactideLetterOrganic ChemistryRing-opening polymerizationPentaerythritollcsh:QD241-441chemistry.chemical_compoundChemistryimidazolium-2-carboxylateschemistryPolymerizationlcsh:Organic chemistryBenzyl alcoholgreen polymerization reactionPolymer chemistryaliphatic polyestersOrganic chemistrylcsh:QorganocatalysisCarboxylatelcsh:ScienceCaprolactoneEthylene glycolBeilstein Journal of Organic Chemistry
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Structural and Thermal Properties of Ethylene-Norbornene Copolymers Obtained Using Vanadium Homogeneous and SIL Catalysts

2020

The series of ethylene-norbornene (E-NB) copolymers was obtained using different vanadium homogeneous and supported ionic liquid (SIL) catalyst systems. The 13C and 1H NMR (carbon and proton nuclear magnetic resonance spectroscopy) together with differential scanning calorimetry (DSC) were applied to determine the composition of copolymers such as comonomer incorporation (CNB), monomer dispersity (MD), monomer reactivity ratio (re), sequence length of ethylene (le) and tetrad microblock distributions. The relation between the type of catalyst, reaction conditions and on the other hand, the copolymer microstructure, chain termination reaction analyzed by the type of unsaturation are discusse…

NMR investigationMaterials sciencePolymers and PlasticsComonomerDispersityVanadiumchemistry.chemical_elementnorborneneGeneral ChemistryPost-metallocene catalystArticlelcsh:QD241-441chemistry.chemical_compoundcopolymerizationMonomerDifferential scanning calorimetrychemistryChemical engineeringlcsh:Organic chemistryIonic liquidpost-metallocene catalystethyleneDSC and SSA investigationNorbornenePolymers
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Easy access to heterobimetallic complexes for medical imaging applications via microwave-enhanced cycloaddition

2015

The Cu(I)-catalysed Huisgen cycloaddition, known as “click” reaction, has been applied to the synthesis of a range of triazole-linked porphyrin/corrole to DOTA/NOTA derivatives. Microwave irradiation significantly accelerates the reaction. The synthesis of heterobimetallic complexes was easily achieved in up to 60% isolated yield. Heterobimetallic complexes were easily prepared as potential MRI/PET (SPECT) bimodal contrast agents incorporating one metal (Mn, Gd) for the enhancement of contrast for MRI applications and one “cold” metal (Cu, Ga, In) for future radionuclear imaging applications. Preliminary relaxivity measurements showed that the reported complexes are promising contrast agent…

NOTAmicrowavePhotochemistryFull Research Paperlcsh:QD241-441Metalchemistry.chemical_compoundlcsh:Organic chemistrycorroleDOTACorrolelcsh:ScienceOrganic ChemistryPorphyrinCombinatorial chemistryCycloadditionChemistryDOTAchemistryYield (chemistry)visual_artclick chemistryClick chemistryvisual_art.visual_art_mediumlcsh:QporphyrinMicrowaveBeilstein Journal of Organic Chemistry
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Metal-Organic Frameworks as Versatile Heterogeneous Solid Catalysts for Henry Reactions

2021

Metal–organic frameworks (MOFs) have become one of the versatile solid materials used for a wide range of applications, such as gas storage, gas separation, proton conductivity, sensors and catalysis. Among these fields, one of the more well-studied areas is the use of MOFs as heterogeneous catalysts for a broad range of organic reactions. In the present review, the employment of MOFs as solid catalysts for the Henry reaction is discussed, and the available literature data from the last decade are grouped. The review is organized with a brief introduction of the importance of Henry reactions and structural properties of MOFs that are suitable for catalysis. The second part of the review dis…

Nitroaldol reactionMaterials sciencePharmaceutical ScienceReviewHeterogeneous catalysisCatalysisAnalytical ChemistryCatalysislcsh:QD241-441metal–organic frameworkslcsh:Organic chemistryCatalytic DomainDrug DiscoveryUreaGas separationAminesPhysical and Theoretical ChemistryMetal-Organic FrameworksHeterogeneous catalysisPrimary (chemistry)Organic ChemistryAmidesOrganic reactionChemical engineeringChemistry (miscellaneous)Molecular MedicineMetal-organic frameworkAmine gas treatingHenry reactionCopperMolecules
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Restricting Magnetic Interaction Pathways in Polyoxometalate Salts of Cationic Nitronyl Nitroxide Free Radicals

2004

Abstract : Salts 1 and 2 that combine the [W 6 O 19 ] 2- Lindqvist anion with the cationic nitronyl nitroxide (NN) free radicals p -MepyNN + and n Bu 3 NCH 2 NN + , respectively, have been synthesized and their structural and magnetic properties have been studied. Keywords: Nitroxide radicals, polyoxometalates, magnetism. Introduction Ferromagnetism based on purely organic materials has raised a lot of interest during the last decade [1]. Most of the studies have been performed with nitronyl nitroxide (NN) radicals due to their persistence, stability and ease of functionalization [2]. Bulk ferromagnetism in these compounds arises from ferromagnetic interactions between open-shell molecules …

Nitroxide mediated radical polymerizationFree RadicalsMagnetismPharmaceutical ScienceCrystallography X-RayPhotochemistryCrystal engineeringArticleNitroxide radicalsAnalytical Chemistrylcsh:QD241-441Magneticslcsh:Organic chemistryCationsDrug DiscoveryAntiferromagnetismMoleculepolyoxometalatesPhysical and Theoretical Chemistrymagnetism.ChemistryOrganic ChemistryIntermolecular forceTemperatureTungsten CompoundsCrystallographyFerromagnetismChemistry (miscellaneous)PolyoxometalateMolecular MedicineNitrogen OxidesDimerizationMolecules
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