Search results for "QD"

showing 10 items of 2226 documents

Titanocene Selenide Sulfides Revisited: Formation, Stabilities, and NMR Spectroscopic Properties

2019

[TiCp2S5] (phase A), [TiCp2Se5] (phase F), and five solid solutions of mixed titanocene selenide sulfides [TiCp2SexS5−x] (Cp = C5H5−) with the initial Se:S ranging from 1:4 to 4:1 (phases B–E) were prepared by reduction of elemental sulfur or selenium or their mixtures by lithium triethylhydridoborate in thf followed by the treatment with titanocene dichloride [TiCp2Cl2]. Their 77Se and 13C NMR spectra were recorded from the CS2 solution. The definite assignment of the 77Se NMR spectra was based on the PBE0/def2-TZVPP calculations of the 77Se chemical shifts and is supported by 13C NMR spectra of the samples. The following complexes in varying ratios were identified in the CS2 solutions of …

sulfidit77Se-NMR spectroscopyPharmaceutical ScienceCrystal structureSulfidesorganometalliyhdisteet010402 general chemistry01 natural sciencesArticleAnalytical Chemistrylcsh:QD241-441Seleniumcrystal structureschemistry.chemical_compoundChalcogenlcsh:Organic chemistrytitanocene selenide sulfidesSelenide0103 physical sciencesDrug DiscoveryOrganometallic CompoundsCarbon-13 Magnetic Resonance SpectroscopyNMR-spektroskopiaPhysical and Theoretical Chemistryta116DLPNO-CCSD(T) calculations13C-NMR spectroscopyCrystallographyMolecular Structure010304 chemical physics<sup>13</sup>C-NMR spectroscopyChemistryChemical shiftOrganic ChemistryTitanocene dichlorideCarbon-13 NMRkiteetStandard enthalpy of formation0104 chemical sciencesNMR spectra databasetitaani<sup>77</sup>Se-NMR spectroscopyChemistry (miscellaneous)Carbon DisulfideseleeniQuantum TheoryMolecular MedicinePhysical chemistryMolecules
researchProduct

6-Methyluracil: a redetermination of polymorph (II)

2019

6-Methyluracil, C5H6N2O2, exists in two crystalline phases: form (I), monoclinic, space group P21/c [Reck et al. (1988). Acta Cryst. A44, 417–421] and form (II), monoclinic, space group C2/c [Leonidov et al. (1993). Russ. J. Phys. Chem. 67, 2220–2223]. The structure of polymorph (II) has been redetermined providing a significant increase in the precision of the derived geometric parameters. In the crystal, molecules form ribbons approximately running parallel to the c-axis direction through N—H...O hydrogen bonds. The radical differences observed between the crystal packing of the two polymorphs may be responsible in form (II) for an increase in the contribution of the polar canonical forms…

supramolecular chemistry; crystal engineering; nucleobasecrystal structure010405 organic chemistryChemistryHydrogen bondUracilCrystal structurenucleobases010402 general chemistry01 natural sciencessupramolecular chemistry0104 chemical sciencesNucleobaseCrystalchemistry.chemical_compoundCrystallographycrystal engineeringGroup (periodic table)lcsh:QD901-999Canonical formlcsh:CrystallographynucleobaseMonoclinic crystal systemIUCrData
researchProduct

The Hexameric Resorcinarene Capsule as a Brønsted Acid Catalyst for the Synthesis of Bis(heteroaryl)methanes in a Nanoconfined Space

2019

Herein, we show that the hexameric resorcinarene capsule C is able to catalyze the formation of bis(heteroaryl)methanes by reaction between pyrroles or indoles and carbonyl compounds (α-ketoesters or aldehydes) in excellent yields and selectivity. Our results suggest that the capsule can play a double catalytic role as a H-bond catalyst, for the initial activation of the carbonyl substrate, and as a Bronsted acid catalyst, for the dehydration of the intermediate alcohol.

supramolecular organocatalysisAlcohol02 engineering and technology010402 general chemistry01 natural sciencesCatalysislcsh:Chemistrychemistry.chemical_compoundPolymer chemistryBrønsted acid catalystOriginal ResearchChemistrySubstrate (chemistry)CapsuleH-bond catalystGeneral Chemistryself-assemblyResorcinareneSupramolecular organocatalysis; Resorcinarene hexameric capsule; Bis(heteroaryl)methanes; Self-assembly; H-bond catalyst; Brønsted acid catalyst021001 nanoscience & nanotechnology0104 chemical sciencesChemistrylcsh:QD1-999Self-assembly0210 nano-technologyBrønsted–Lowry acid–base theorySelectivityresorcinarene hexameric capsulebis(heteroaryl)methanesFrontiers in Chemistry
researchProduct

Supramolecular Organocatalysis in Water Mediated by Macrocyclic Compounds

2018

In the last decades many efforts have been devoted to design supramolecular organocatalysts able to work in water as the reaction medium. The use of water as solvent provides promising benefits with respect to environmental impact. In this context, macrocyclic compounds played a role of primary importance thanks to their ease of synthesis and their molecular recognition abilities toward the reactants. The aim of this review is to give an overview of the recent advances in the field of supramolecular organocatalysis in water, focusing the attention on calixarene and cyclodextrins derivatives. Calixarenes and cyclodextrins, thanks to their hydrophobic cavities, are able to host selectively th…

supramolecular organocatalysisSupramolecular chemistryContext (language use)Review010402 general chemistry01 natural scienceslcsh:ChemistryHydrophobic effectMolecular recognitionCalixareneHydrophobic effectsupramolecular organocatalysis Water Hydrophobic effect molecular recognition Calixarenes CyclodextrinsCyclodextrins010405 organic chemistryChemistryRegioselectivityWaterGeneral ChemistryCombinatorial chemistry0104 chemical sciencesChemistrylcsh:QD1-999Organic reactionOrganocatalysismolecular recognitionCalixarenes
researchProduct

Antibacterial Activity of Positively and Negatively Charged Hematite (α-Fe2O3) Nanoparticles to Escherichia coli, Staphylococcus aureus and Vibrio fi…

2021

This research and work has been supported by the European Regional Development Fund within the Activity 1.1.1.2 “Post-doctoral Research Aid” of the Specific Aid Objective 1.1.1 (i.e., “to increase the research and innovative capacity of scientific institutions of Latvia and the ability to attract external financing, investing in human resources and infrastructure”) of the Operational Programme “Growth and Employment” (No. 1.1.1.2/VIAA/2/18/331).

surface chargeGeneral Chemical EngineeringMicrobeJ02 engineering and technologymedicine.disease_causeArticlehematite<i>α</i>-Fe<sub>2</sub>O<sub>3</sub> nanoparticleslcsh:ChemistryAgar plate03 medical and health sciences:NATURAL SCIENCES:Physics [Research Subject Categories]medicineBioluminescenceGeneral Materials ScienceEscherichia colinano-bio interactions030304 developmental biology0303 health sciencesα-Fe2O3 nanoparticlesenvironmental safetybiologyChemistryBioluminescent bacteria021001 nanoscience & nanotechnologybiology.organism_classificationVibriohydrothermal synthesisantibacteriallcsh:QD1-999confocalStaphylococcus aureus0210 nano-technologyAntibacterial activityBacteriaNuclear chemistryNanomaterials
researchProduct

The Jäntti approach to adsorption with increasing gas pressure

2002

Jäntti introduced a method of calculating equilibrium adsorption from measurements where the pressure of the gas was varied in a stepwise manner. His aim was to shorten the time necessary for a given measurement. The method was applied to gas/solid systems in which simple adsorption processes occurred and where the number of adsorption sites was infinite. The present paper discusses the case where no adsorption is possible on an already occupied site (Langmuir isotherm) while the number of positions available for adsorption is considered limited. The advantages of using a gas pressure that increases linearly with time are evident for studies with this limitation. It is shown that such meas…

symbols.namesakeAdsorptionGas pressureChemistryGeneral Chemical Engineeringlcsh:QD450-801symbolsThermodynamicsLangmuir adsorption modellcsh:Physical and theoretical chemistrySurfaces and InterfacesGeneral ChemistryAdsorption Science & Technology
researchProduct

A route to simple nonionic surfactants

2016

AbstractA method for the synthesis of nonionic surfactants – N-alkyl-O-(2-hydroxyethyl) carbamates is proposed by acylation of fatty amines with ethylene carbonate without any solvent or catalyst. The surface tension of the prepared surfactants was measured, toxicity and biodegradability were determined for the surfactant with n-dodecyl as a hydrophobic group and N-monosubstituted amide and hydroxyl groups for their hydrophilic part.

synthesis02 engineering and technology010402 general chemistry01 natural sciencessurfactantsCatalysisSurface tensionAcylationlcsh:Chemistrychemistry.chemical_compoundPulmonary surfactantbiodegradabilityAmidesurface tensionOrganic chemistrylcsh:ScienceEthylene carbonateGeneral EngineeringtoxicityBiodegradation021001 nanoscience & nanotechnology0104 chemical sciencesSolventchemistrylcsh:QD1-999lcsh:Q0210 nano-technologynonionic surfactantsCogent Chemistry
researchProduct

Reaction of polyamines with diethyloxalate: a convenient route for the synthesis of tetraazacycloalkanes

2006

International audience; The reactivity of various polyamines with diethyloxalate has been investigated. It appears that, in similar experimental conditions, primary diamines give predominantly [2+2] adducts while the use of secondary benzylated polyamines results in [1+1] condensation. Although the intermediate tetraamides formed in the first case are extremely poorly soluble and show very slow reactivity towards reducing agents, cyclam has been obtained by using ultrasounds during the reaction of the corresponding tetraoxomacrocycle with BH 3 /THF. The [1+1] cyclization reaction of diversely N-benzylated linear tetraamines, whose selective syntheses have been devised herein, gives access t…

synthesisReducing agent010402 general chemistry01 natural sciencesAdductlcsh:QD241-441chemistry.chemical_compoundlcsh:Organic chemistry[PHYS.COND.CM-GEN] Physics [physics]/Condensed Matter [cond-mat]/Other [cond-mat.other][ CHIM.ORGA ] Chemical Sciences/Organic chemistryAmideCyclamOrganic chemistryReactivity (chemistry)ComputingMilieux_MISCELLANEOUSPrimary (chemistry)010405 organic chemistryChemistry[CHIM.ORGA]Chemical Sciences/Organic chemistrytetraaminesOrganic ChemistryCombinatorial chemistry0104 chemical sciences[PHYS.COND.CM-GEN]Physics [physics]/Condensed Matter [cond-mat]/Other [cond-mat.other]AminalAmine gas treating
researchProduct

Synthesis and selected properties of metallo and metal-free 2,3,9,10,16,17,23,24-octacarboxyphthalocyanines

2015

This review article reports methods of synthe sis and selected physicochemical properties of metallo and metal-free 2,3,9,10,16,17,23,24–octacarboxyphthalocyanines. The most frequently used methods of synthesis for this class of co mpounds are described in this article. Moreover, aggregation, catalytic and photocatalytic properties of these complexes are presented. Potential applications of metallo and metal-free 2,3,9,10,16,17,23,24–octacarboxyphthalocyanines are also given.

synthesisabsorption spectraapplicationsChemistry3Organic Chemistryaggregation1724-octacarboxyphthalocyanines16Combinatorial chemistry10Catalysis23catalytic and photocatalytic activitylcsh:QD241-441Metal freelcsh:Organic chemistryPhotocatalysismetallo and metal-free 29ARKIVOC : Archive for Organic Chemistry
researchProduct

Water-Soluble Cuprizone Derivative: Synthesis, Characterization, and in Vitro Studies

2019

The cuprizone mouse model is one of the most accepted model systems for the investigation of oligodendrocyte degeneration, a process critically involved in the pathogenesis of diseases such as multiple sclerosis or schizophrenia. In order to substitute the in vivo experiments by in vitro approaches, the amine derivative BiMPi is introduced as a water-soluble alternative to cuprizone. Regarding superoxide dismutase activity, toxicity for oligodendrocytes, and disturbance of mitochondrial membrane potential, BiMPi shows similar in vitro effects as is observed in vivo for cuprizone. peerReviewed

synthesispatogeneesiGeneral Chemical EngineeringDegeneration (medical)010402 general chemistry01 natural sciencesneurokemialcsh:ChemistryPathogenesis03 medical and health scienceschemistry.chemical_compound0302 clinical medicinemedicinecharacterizationsynteesita116water-soluble cuprizone derivativekemiallinen synteesiin Vitro studiesamiinitChemistryta1182General ChemistryOligodendrocyteIn vitro3. Good health0104 chemical sciencesmedicine.anatomical_structureWater solublelcsh:QD1-999Biochemistryin vitro -menetelmä030217 neurology & neurosurgeryDerivative (chemistry)
researchProduct