Search results for "Reactivity"

showing 10 items of 880 documents

Dicopper(II) metallacyclophanes with photoswitchable oligoacene spacers: a joint experimental and computational study on molecular magnetic photoswit…

2018

Dinuclear copper(II) complexes of the metallacyclophane-type, (nBu4N)4[Cu2(2,6-anba)2] (1) and (nBu4N)4[Cu2(1,5-naba)2]·4H2O (2) with photoactive 2,6-anthracene-(2,6-anba) and 1,5-naphthalenebis(oxamate) (1,5-naba) bridging ligands, are reported. They undergo a thermally reversible, solid-state photomagnetic (ON/OFF) switching between the moderately strong antiferromagnetically coupled dicopper(II) species and the corresponding magnetically uncoupled [4+4] photocycloaddition product. Density functional calculations give further insights on the intramolecular (“pseudo-bimolecular”) photocycloaddition reaction of the two facing 2,6-anthracene or 1,5-naphthalene spacers in this novel family of…

Spintronics010405 organic chemistryChemistryIntermetallicchemistry.chemical_elementOligoacenes010402 general chemistry01 natural sciencesCopper0104 chemical sciencesIonPhotochemical reactivityCrystallographyDensity functional calculationsIntramolecular forceMagnetic propertiesMaterials ChemistryAntiferromagnetismPhotochemical reactivityPhysical and Theoretical ChemistryCopper
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The airway response to deep inspirations decreases with COPD severity and is associated with airway distensibility assessed by computed tomography.

2008

In patients with mild chronic obstructive pulmonary disease (COPD), the effect of deep inspirations (DIs) to reverse methacholine-induced bronchoconstriction is largely attenuated. In this study, we tested the hypothesis that the effectiveness of DI is reduced with increasing disease severity and that this is associated with a reduction in the ability of DI to distend the airways. Fifteen subjects [Global Initiative for Chronic Obstructive Lung Disease (GOLD) stage I–II: n = 7; GOLD stage III–IV: n = 8] underwent methacholine bronchoprovocation in the absence of DI, followed by DI. The effectiveness of DI was assessed by their ability to improve inspiratory vital capacity and forced expira…

SpirometryHigh-resolution computed tomographyPhysiologyRespiratory SystemVital CapacityHyperinflationSettore MED/10 - Malattie Dell'Apparato RespiratorioSeverity of Illness IndexBronchial Provocation TestsBronchoconstrictor AgentsAirway-parenchyma interdependencePulmonary Disease Chronic ObstructiveBronchoprovocationPhysiology (medical)Forced Expiratory VolumeSeverity of illnessAdministration InhalationmedicineHumansHigh-resolution computed tomographyMethacholine ChlorideAgedAged 80 and overCOPDMethacholinemedicine.diagnostic_testbusiness.industryAirway-parenchyma interdependence; Bronchoprovocation; High-resolution computed tomography; Hyperinflation; Methacholine; Administration Inhalation; Aged; Aged 80 and over; Bronchial Hyperreactivity; Bronchial Provocation Tests; Bronchoconstrictor Agents; Elasticity; Forced Expiratory Volume; Humans; Methacholine Chloride; Middle Aged; Pulmonary Disease Chronic Obstructive; Respiratory System; Severity of Illness Index; Spirometry; Vital Capacity; Inhalation; Tomography Spiral Computed; Physiology; Physiology (medical)Respiratory diseaseArticlesrespiratory systemMiddle Agedmedicine.diseaseElasticityrespiratory tract diseasesBronchial Provocation TestInhalationSpirometryAnesthesiaBronchoconstrictor AgentBronchoconstrictionMethacholinemedicine.symptomBronchial HyperreactivityAirwaybusinessTomography Spiral ComputedHumanmedicine.drugJournal of applied physiology (Bethesda, Md. : 1985)
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A static SIMS study of superficial reactions (O2, (CN)2) on silver

1998

Abstract The exposure of silver surfaces to oxygen under about 10 −6 mbar at room temperature was studied mainly by secondary ion mass spectrometry (SIMS) used in a static mode. No reactivity of oxygen appeared under these exposure conditions in accordance with previous works. No modifications in the AES spectra, but an unexpected and huge increase in the intensities of secondary ions such as CN − , CNO − , Ag(CN) − 2 , Ag 2 CN + were observed. Different experiments were performed in order to specify the origin of this unexpected reaction in presence of pure oxygen. Moreover, exposures to pure (CN) 2 and to a mixture of cyanogen and oxygen were performed in order to compare the reactivity o…

Static secondary-ion mass spectrometryCyanogenCyanideInorganic chemistryAnalytical chemistrychemistry.chemical_elementSurfaces and InterfacesCondensed Matter PhysicsOxygenSurfaces Coatings and FilmsSecondary ion mass spectrometrychemistry.chemical_compoundAdsorptionchemistryMaterials ChemistryMoleculeReactivity (chemistry)Surface Science
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ChemInform Abstract: Novel Unsymmetrical ortho-Metalated Dirhodium(II) Catalysts: trans Influence of the Axial Ligand.

2010

Inductive effects of an X axial group which are transmitted through the RhRh bond influence the reactivity of ortho-metalated dirhodium complexes 3 in the cyclization of 1-diazo-5-penten-2-one (4).

StereochemistryChemistryGroup (periodic table)LigandTrans effectReactivity (chemistry)General MedicineMedicinal chemistryCatalysisChemInform
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Mono-, di- and tri-nuclear Ni(II) complexes of N-, O-donor ligands: structural diversity and reactivity

2002

A series of mono-, di- and tri-nuclear Ni(II) complexes of N, O-donating molecules possessing ---H2C---NH--- and ---HC=N--- moieties have been synthesized and characterized and the structures have been determined by single crystal X-ray diffraction. All these exhibited interesting molecular packing in their crystal lattices. Di-nuclear complexes were found to be cleaved in pyridine to result in mononuclear ones with additional coordinations being provided by pyridine. Di-nuclear complexes were found to form urea adducts as demonstrated based on absorption and vibrational studies.

StereochemistryChemistryN- O-Donor MoleculesCrystal structureUrea AdductAdductInorganic ChemistryCrystallographychemistry.chemical_compoundPyridineMaterials ChemistryUreaMono- Di- And Tri-Nuclear Ni(Ii) ComplexesMoleculeReactivity (chemistry)Physical and Theoretical ChemistryAbsorption (chemistry)Pyridine Bound Mononuclear Ni(Ii) ComplexSingle crystalInorganic Chemistry Communications
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A mechanistic study of the participation of azomethine ylides and carbonyl ylides in [3+2] cycloaddition reactions

2015

The participation of azomethine ylides (AYs) and carbonyl ylides (CYs) in [3+2] cycloaddition (32CA) reactions has been analysed at the DFT B3LYP/6-31G(d) level. The asymmetric substitution breaks the pseudodiradical character of the simplest three-atom-components (TACs), modifying their electrophilic and nucleophilic behaviours. These TACs react quickly towards electrophilic nitroethylene. However, while the reaction with AY takes place via a zw-type mechanism, the reaction with CY appears to take place via a pr-type mechanism. A different behaviour is found in the reactivity towards the nucleophilic methyl vinyl ether. While AY presents a high activation energy, CY presents a high reactiv…

StereochemistryChemistryOrganic ChemistryAzomethine ylideRegioselectivityMethyl vinyl etherBiochemistryCycloadditionchemistry.chemical_compoundNucleophileNitroethyleneDrug DiscoveryElectrophileReactivity (chemistry)Tetrahedron
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ChemInform Abstract: Synthesis and Reactivity of β-Amino α,β-Unsaturated Oxa- and Thiazolines.

2010

Abstract A simple and efficient route to masked β-amino-α,β-unsaturated acids 3 by reaction of metalated oxa- and thiazolines with nitriles has been developed. The reactivity of 3 has also been explored.

StereochemistryChemistryReactivity (chemistry)General MedicineChemInform
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Annelated pyrrolo-pyrimidines from amino-cyanopyrroles and BMMAs as leads for new DNA-interactive ring systems.

2005

The efficient one-pot synthesis of several new tricyclic systems of type 1 and 2, obtained from the reaction of substituted 2-amino-3-cyanopyrroles and 3-amino-4-cyanopyrroles with BMMAs, is reported. The duration and yields of the reaction strongly depend on the reactivity of the starting pyrrole and on the size of the ring to be formed. Mechanist features of the reaction were investigated and proposed by studying also the reactivity of a 3-aminopyrrole-2,4-dicyano substituted. The method reported represents the first example of the use of BMMA reagents in combination with pyrrole derivatives and allows an easy and versatile entry to a large number of hitherto unknown pyrrolo-pyrimidines f…

StereochemistryClinical BiochemistryPharmaceutical ScienceRing (chemistry)Annelated pyrrolo-pyrimidineBiochemistryChemical synthesisPyrrole derivativeschemistry.chemical_compoundBMMA reagentDrug DiscoveryReactivity (chemistry)PyrrolesMolecular BiologyPyrroleSpectrum AnalysisOrganic ChemistryDNAAmino-cyanopyrroleCombinatorial chemistryPyrimidineschemistryDNA-interactive polycycles.ReagentOne pot reactionMolecular MedicineDNABioorganicmedicinal chemistry
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Reactions of dirhodium(II) monometallated compounds with phosphines. Factors affecting the reactivity and the structure of the doubly-metallated comp…

1992

Abstract Monometallated compounds of formula Rh2(O2CCH3)3[(p-XC6H3)P(p-XC6H4)2](HO2CCH3)2 (X=CH3, Cl) have been prepared in good yield. The reactions with p-substituted triarylphosphines P(p-X′C6H4)3 (X′=CH3, H, Cl) have been studied. For X=X′ and [P]/[Rh2]=1 all the resulting doubly metallated compounds Rh2(O2CCH3)2[(p- XC6H3)P(p-XC6H4)2](HO2CCH3)2 (X=CH3, Cl) have head-to-tail (H-T) structure. For [P]/[Rh2]=3 reaction progress is observed at room temperature. When X=X′ a 1:1 mixture of H-T and H-H compounds is formed for X=Cl but only the H-H compound is obtained for X=CH3. For X ≠ X′ mixtures of H-T and H-H compounds are obtained. The entering phosphine, and to a less extent the phosphin…

StereochemistryCrystal structureMedicinal chemistryProduct distributionInorganic Chemistrychemistry.chemical_compoundchemistryYield (chemistry)X-ray crystallographyMaterials ChemistryMoleculeReactivity (chemistry)CarboxylatePhysical and Theoretical ChemistryPhosphineInorganica Chimica Acta
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Straightforward Regio- and Diastereoselective Synthesis, Molecular Structure, Intermolecular Interactions and Mechanistic Study of Spirooxindole-Engr…

2021

Straightforward regio- and diastereoselective synthesis of bi-spirooxindole-engrafted rhodanine analogs 5a–d were achieved by one-pot multicomponent [3 + 2] cycloaddition (32CA) reaction of stabilized azomethine ylide (AYs 3a–d) generated in situ by condensation of L-thioproline and 6-chloro-isatin with (E)-2-(5-(4-chlorobenzylidene)-2,4-dioxothiazolidin-3-yl)-N-(2-morpholinoethyl)acetamide. The bi-spirooxindole-engrafted rhodanine analogs were constructed with excellent diastereo- and regioselectivity along with high chemical yield. X-ray crystallographic investigations for hybrid 5a revealed the presence of four contiguous stereocenters related to C11, C12, C19 and C22 of the spiro struct…

StereochemistryHirshfeld DFTPharmaceutical ScienceAzomethine ylideOrganic chemistryArticleAnalytical ChemistryStereocenterchemistry.chemical_compoundQD241-441spirooxindole; rhodanine; azomethine ylides; [3 + 2] cycloaddition (32CA) reactions; hydrogen bonding; Hirshfeld DFT; supernucleophilesNucleophileDrug DiscoveryrhodanineReactivity (chemistry)Physical and Theoretical Chemistryheterosykliset yhdisteetsupernucleophilesvetysidoksettiheysfunktionaaliteoriaRegioselectivityazomethine ylidesspirooxindolehydrogen bondingCycloaddition[3 + 2] cycloaddition (32CA) reactionsRhodaninechemistryChemistry (miscellaneous)Molecular MedicineDerivative (chemistry)Molecules; Volume 26; Issue 23; Pages: 7276
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