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showing 10 items of 1967 documents

Kinetics of the Strain-Promoted Oxidation-Controlled Cycloalkyne-1,2-quinone Cycloaddition: Experimental and Theoretical Studies

2018

Stimulated by its success in both bioconjugation and surface modification, we studied the strain-promoted oxidation-controlled cycloalkyne–1,2-quinone cycloaddition (SPOCQ) in three ways. First, the second-order rate constants and activation parameters (ΔH⧧) were determined of various cyclooctynes reacting with 4-tert-butyl-1,2-quinone in a SPOCQ reaction, yielding values for ΔH⧧ of 4.5, 7.3, and 12.1 kcal/mol, for bicyclo[6.1.0]non-4-yne (BCN), cyclooctyne (OCT), and dibenzoazacyclooctyne (DIBAC), respectively. Second, their reaction paths were investigated in detail by a range of quantum mechanical calculations. Single-configuration theoretical methods, like various DFT and a range of MP2…

Bicyclic molecule010405 organic chemistryChemistryOrganic ChemistryKineticsSolvationCycloalkyne010402 general chemistryOrganische Chemie01 natural sciencesArticleCycloaddition0104 chemical sciencesQuinonechemistry.chemical_compoundReaction rate constantComputational chemistryLife ScienceSurface modificationQuímica orgànicaVLAGThe Journal of Organic Chemistry
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Cycloaddition reactions of 3-vinylthiophen

1987

Abstract Cycloaddition reactions between 3-vinylthiophen and the dienophiles maleic anhydride, methyl acrylate, dimethyl acetylene - dicarboxylate, and methyl propiolate give products including methyl benzo[b]thiophen-7-carboxylate (11) and its dihydroderivative (10), the 6,7-dicarboxylic acid (3), its dimethyl ester (7) and dihydroester (6); the naphtho[a,b]dithiophen (14), and the novel ethano bridged benzo[b]thiophen (15).

Bicyclic moleculeMethyl propiolateOrganic ChemistryMaleic anhydrideNuclear magnetic resonance spectroscopyBiochemistryMedicinal chemistryDimethyl esterCycloadditionchemistry.chemical_compoundAcetylenechemistryDrug DiscoveryOrganic chemistryMethyl acrylateTetrahedron
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New cycloaddition reactions of 1-phenyl-4-vinylpyrazole

1986

Abstract 1-Phenyl-4-vinylpyrazole reacts with methyl propiolate and N-phenylmaleimide giving via the Diels-Alder 1:1 adducts, products (4) and (8), and also the 1:2 adducts (5), (6) and (9) resulting from an “ene” reaction of the initially forced cycloadducts. The obtention of the adducts (5) and (6) in equimolecular amounts is a good example of the non-regioselective character of the “ene” reaction. The reaction with tetracyanoethylene takes place through the olefinic substituent giving the π2 + π2 adduct (10).

Bicyclic moleculeMethyl propiolateOrganic ChemistrySubstituentTetracyanoethyleneBiochemistryMedicinal chemistryCycloadditionAdductchemistry.chemical_compoundchemistryDrug DiscoveryOrganic chemistryImideEne reactionTetrahedron
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Formation of Pyrazol-1,3,4-Thiadiazoles through 1,3-Dipolar Cycloadditions of 3-Thioxo-[1,2,4]-Triazepin-5-one with Nitrilimines: An Experimental and…

2009

In this work the results of experimental and computational study of the title compounds and some ancillary compounds are reported. Two bicyclic pyrazol-1,3,4-thiadiazole derivatives were synthesized by reaction between 6-dimethylaminomethylene-3-thioxo-[1,2,4]- triazepin-5-one 1 and several nitrilimines 2a-f to give corresponding spirocycloadducts 3a-f, which undergo a rapid rearrangement leading to the new bicyclic compounds, 4a-f and 5a-f. These obtained bicyclic products were characterized by 1H and 13C NMR spectroscopy and finally by X-ray crystallography. Theoretical calculations have been carried out using DFT methods to rationalize the formation of the two new bicyclic compounds. Two…

Bicyclic moleculeStereochemistryChemistryOrganic ChemistryAncillary compoundsRegioselectivityCarbon-13 NMRRing (chemistry)Cleavage (embryo)CycloadditionCatalysisThiadiazolesComputational chemistryPhysical and Theoretical Chemistry
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Stereocontrolled synthesis of azeto[2,1-b] quinazolines bearing three stereocenters via the intramolecular [2+2] cycloaddition between ketenimines an…

2004

Abstract A highly stereoselective synthesis of azeto[2,1- b ]quinazolines bearing three stereocenters (C1, C2, and C8) has been achieved via intramolecular [2+2] cycloaddition between ketenimine and imine functions supported on an ortho -benzylic scaffold. An asymmetric center adjacent to the iminic nitrogen atom, the future C8 carbon of the bicyclic product, efficiently controls the absolute configuration of the two new stereogenic carbon atoms of the azetidine ring, C1 and C2.

Bicyclic moleculeStereochemistryOrganic ChemistryAzetidineImineRing (chemistry)CatalysisCycloadditionKetenimineStereocenterInorganic Chemistrychemistry.chemical_compoundchemistryIntramolecular forcePhysical and Theoretical ChemistryTetrahedron: Asymmetry
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Promoting Deoxygenation of Bio-Oil by Metal-Loaded Hierarchical ZSM-5 Zeolites

2016

3 Figuras.- 5 tablas.-1 Esquema.- This document is the Accepted Manuscript version of a Published Work that appeared in final form in ACS Sustainable Chemistry & Engineering, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acssuschemeng.5b01606 ”

Bio-oil upgradingGeneral Chemical EngineeringInorganic chemistryLignocellulosic biomass02 engineering and technology01 natural sciencesCatalysisEnvironmental ChemistryOrganic chemistryLewis acids and basesZeoliteMetal loadingDeoxygenationIon exchange010405 organic chemistryRenewable Energy Sustainability and the EnvironmentChemistryDecarbonylationDeoxygenationGeneral Chemistry021001 nanoscience & nanotechnology0104 chemical sciencesZSM-50210 nano-technologyHierarchical ZSM-5 zeoliteACS Sustainable Chemistry & Engineering
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Teaching Competences Through ICTs in an English Degree Programme in a Spanish Setting

2012

In this chapter I shall describe the ways in which a group of lecturers in English language and linguistics have attempted to help students acquire competencies using ICTs in an English Studies degree programme in Spain. The introduction of competence-based learning constitutes a major paradigm shift brought about by the convergence of degree systems in the European Higher Education Area, and is part of a concerted effort to make our degrees less teacher-centred with a view to giving students greater opportunities to participate in their own learning process, both inside and outside the classroom. I will outline how general and discipline-specific competences are acquired through the use of…

Blended learningDigital storytellingHigher educationbusiness.industryParadigm shiftMathematics educationEnglish studiesWorkloadICTSSociologybusinessCompetence (human resources)
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Acute Metabolic Response, Energy Expenditure, and EMG Activity in Sitting and Standing

2017

Purpose While merely standing up interrupts sedentary behavior, it is important to study acute metabolic responses during single bouts of sitting and standing to understand the physiological processes affecting the health of office workers. Methods Eighteen healthy middle-age women 49.4 ± 7.9 yr old (range: 40–64) with a body mass index of 23.4 ± 2.8 kg·m−2 volunteered for this laboratory-based randomized crossover trial where they performed 2 h desk work in either sitting or standing postures after overnight fasting. Muscle activity (normalized to walking at 5 km·h−1), respiratory gas exchange, and blood samples were assessed after glucose loading (75 g). Results Compared with seated work,…

Blood GlucoseGlycerolHydrocortisoneElectromyographyBicepscarbohydrate oxidation0302 clinical medicineenergy expenditureInsulinOrthopedics and Sports Medicine030212 general & internal medicineglucose loadingsit-stand workstationta315aineenvaihduntaCross-Over Studiesmuscle activitymedicine.diagnostic_testArea under the curvefat oxidationMiddle AgedLipidsAnesthesiaFemaleOxidation-Reductionenergiankulutus (aineenvaihdunta)Adultmedicine.medical_specialtyPosturePhysical Therapy Sports Therapy and RehabilitationCarbohydrate metabolismSittingistuminen03 medical and health sciencesLumbarmedicineHumansMuscle SkeletallihasaktiivisuusElectromyographyPulmonary Gas Exchangebusiness.industry030229 sport sciencesCrossover studyseisominenQPverensokeriPhysical therapyEnergy MetabolismbusinessBody mass index
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A single loading dose of clopidogrel causes dose-dependent improvement of endothelial dysfunction in patients with stable coronary artery disease: Re…

2006

Clinical studies have demonstrated beneficial effects for clopidogrel in patients with atherothrombotic disease. Recent in vitro studies identified stimulating effects of clopidogrel on endothelial cells, pointing towards mechanisms of action beyond the inhibition of platelet aggregation. We hypothesized that in vivo use of clopidogrel improves endothelial dysfunction in patients with coronary artery disease (CAD). Fifty-eight patients with CAD were randomly assigned to double-blinded oral administration of one single dose of clopidogrel 300 mg (C300) or 600 mg (C600), respectively. Endothelial function was assessed by measurement of flow-mediated dilation (FMD) of the brachial artery befor…

Blood PlateletsMalemedicine.medical_specialtyTiclopidineCoronary Artery DiseaseLoading doseCoronary artery diseaseP2Y12Double-Blind MethodSuperoxidesmedicine.arteryInternal medicinePurinergic P2 Receptor AntagonistsHumansMedicinePlateletcardiovascular diseasesBrachial arteryEndothelial dysfunctionAgedbusiness.industryVascular diseaseMicrofilament ProteinsMiddle AgedPhosphoproteinsmedicine.diseaseClopidogrelReceptors Purinergic P2Y12ClopidogrelAnesthesiaCardiologyFemaleEndothelium VascularCardiology and Cardiovascular MedicinebusinessCell Adhesion MoleculesDilatation Pathologiccirculatory and respiratory physiologymedicine.drugAtherosclerosis
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HCV genotype 5: an orphan virus

2013

HCV genotype 5 (HCV-5) is the least known HCV genotype. It is found mainly in South Africa and in restricted areas of Belgium, Spain, France, Syria and Greece. Sporadic cases are reported worldwide. The main modes of transmission are blood transfusion and iatrogenic causes. Little is known about its origin, but various studies have elucidated its spread worldwide. In endemic areas, patients infected with HCV-5 are on average older and have a higher viral load and more advanced fibrosis than those infected with non-HCV-5 genotypes. The current standard of care for HCV-5 chronic infection is 48 weeks of dual therapy with pegylated interferon plus ribavirin. ‘Favourable’ Il28B polymorphisms a…

Blood transfusionGenotypemedicine.medical_treatmentHepacivirusAntiviral Agentschemistry.chemical_compoundPegylated interferonGenotypemedicinePrevalenceHumansPharmacology (medical)PharmacologyTransmission (medicine)business.industryRibavirinvirus diseasesHepatitis Cmedicine.diseaseHepatitis Cdigestive system diseasesChronic infectionInfectious DiseasesTreatment OutcomechemistryImmunologyHost-Pathogen InteractionsbusinessViral loadmedicine.drug
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