Search results for "alkane"

showing 10 items of 162 documents

Synthesis, Optical Properties, and DNA Interaction of New Diquats Based on Triazolopyridines and Triazoloquinolines

2017

New diquat derivatives based on [1,2,3]triazolo[1,5-a]pyridine and [1,2,3]triazolo[1,5-a]quinoline have been synthesized in excellent yields. To evaluate the effect of the alkyl bridge length, ethane and propane dibromo alkane substrates were used for their synthesis. Theoretical calculations predicted a very small energetic barrier between the two possible enantiomers P (Ra ) and M (Sa ), which makes them very difficult to resolve. Thermal denaturation studies, UV/Visible spectroscopy, and fluorescence titrations with ct-DNA evidenced the intercalation of the quinoline derivatives in DNA.

Models MolecularMagnetic Resonance SpectroscopyStatic ElectricityIntercalation (chemistry)Molecular Conformation010402 general chemistryPhotochemistry01 natural sciencesMedicinal chemistryCatalysischemistry.chemical_compoundUltraviolet visible spectroscopyPyridineDiquatAlkylchemistry.chemical_classificationAlkane010405 organic chemistryQuinolinium CompoundsOrganic ChemistryQuinolineStereoisomerismDNAGeneral ChemistryTriazolesFluorescenceIntercalating Agents0104 chemical sciencesPyrimidineschemistrySpectrophotometryThermodynamicsEnantiomerChemistry - A European Journal
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Chemistry Explained by Topology: An Alternative Approach

2011

Molecular topology can be considered an application of graph theory in which the molecular structure is characterized through a set of graph-theoretical descriptors called topological indices. Molecular topology has found applications in many different fields, particularly in biology, chemistry, and pharmacology. The first topological index was introduced by H. Wiener in 1947 [1]. Although its very first application was the prediction of the boiling points of the alkanes, the Wiener index has demonstrated since then a predictive capability far beyond that. Along with the Wiener index, in this paper we focus on a few pioneering topological indices, just to illustrate the connection between p…

Molecular StructureChemistry PhysicalChemistryOrganic ChemistryGraph theoryGeneral MedicineWiener indexBiologyTopologyBiomechanical PhenomenaComputer Science ApplicationsConnection (mathematics)Set (abstract data type)Structure-Activity RelationshipModels ChemicalTopological indexAlkanesDrug DiscoveryQuantum TheoryChemistry (relationship)Focus (optics)Topology (chemistry)Combinatorial Chemistry & High Throughput Screening
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Stereoselective Synthesis of Microcarpalide

2002

The first total synthesis of the naturally occurring nonenolide, microcarpalide, is described. The key step in the synthesis was the ring-closing metathesis of a dienic ester prepared in turn by coupling an acid and an alcohol stereoselectively synthesized from (S,S)-tartaric acid and (R)-glycidol, respectively. [structure: see text]

Molecular StructureChemistryStereochemistryOrganic ChemistryFungiTotal synthesisStereoisomerismAlcoholGeneral MedicineMetathesisBiochemistryTurn (biochemistry)Heterocyclic Compounds 1-Ringchemistry.chemical_compoundAlkanesStereoselectivityPhysical and Theoretical ChemistryMicrocarpalideOrganic Letters
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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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Effect of an Insect Growth Regulator (Halofenozide) on the Cuticular Hydrocarbons ofCulex pipiensLarvae

2013

The cuticular hydrocarbons of the fourth-instar larvae of Culex pipiens aged one and six days were analysed by gas chromatography and gas chromatography-mass spectrometry. The effect of an insect growth regulator (halofenozide = RH-0345) on the cuticular hydrocarbons was evaluated using newly moulted fourth-instar larvae of C. pipiens, at the lethal concentrations (LC50 = 12.58 and LC90 = 28.58 µ/l). A previous study revealed that RH-0345 is toxic to larvae of C. pipiens by induction of precocious larval moulting. Several cuticular hydrocarbons (CHCs) were identified and many of the other compounds remained unknown. Our data show that the CHC classes consisted of n-alkanes (C23-C29) and dif…

N alkanesLarvaanimal structuresCuticlefungiBiologybiology.organism_classificationInsect ScienceBotanyCulex pipiensInsect growth regulatorGas chromatographyHalofenozideAgronomy and Crop ScienceMoultingEcology Evolution Behavior and SystematicsAfrican Entomology
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Qualitative and quantitative analysis of the n-alkanes C9-C17 and pristane in clean air masses

1980

An analytical method was developed for measuring n-alkanes (C9 to C17) and other hydrocarbons in tropospheric air with mixing ratios of a few ppt (10−12) and higher. The hydrocarbons are collected in situ in absorption tubes, carefully protected against contamination and analysed later in the laboratory by gas chromatography. First data are reported for Atlantic air masses at the west coast of Ireland.

N alkanesPristaneClinical BiochemistryGeneral MedicineContaminationAnalytical ChemistryTropospherechemistry.chemical_compoundchemistryEnvironmental chemistryGeneral Materials ScienceWest coastGas chromatographyQuantitative analysis (chemistry)Fresenius' Zeitschrift für analytische Chemie
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Pressure induced changes in the Raman spectra of liquidn-alkanes and perfluoro-n-alkanes

1982

The main effect of pressures up to 6 kbar on the Raman spectra of liquidn-alkanes and perfluoro-n-alkanes is a reduction of line widths indicative for a slowing-down of rotational motions about the long axes. There is no evidence for a change in the conformer populations.

N alkanessymbols.namesakeColloid and Surface ChemistryPolymers and PlasticsChemistryMaterials ChemistryAnalytical chemistrysymbolsPhysical and Theoretical ChemistryRaman spectroscopyConformational isomerismLine (formation)Colloid and Polymer Science
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Structure Determination of Photoproducts of Anthracenes with (Arylmethoxymethyl) Sidechains

2007

Irradiation of 9-(arylmethoxymethyl)anthracenes 3 leads either to a cyclomer and cyclodimer mixture (3a  4a,5a), to selectively formed dimers (3b  5b), or a selectively formed cyclomer (3c  4c). The [4π+4π]cyclodimerization is under the conditions used a regioselective head-to-tail process. In the crystals of the dimers 5a,b, the sidechains are attached in an antiperiplanar position related to the CC bonds generated in the dimerization. In solutions, however, the structures consist of three rotamers the equilibration of which was studied by temperature-dependent NMR spectra. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)

NMR spectra databaseCrystallographyChemistryStereochemistryOrganic ChemistryAlkane stereochemistryRegioselectivityPhysical and Theoretical ChemistryConformational isomerismEuropean Journal of Organic Chemistry
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Substituted methyl 5β-cholan-24-oates. I—17O NMR spectral characterization

1994

Methyl esters of four common bile acids, 3α-hydroxy-5-β-cholan-24-oic (lithocholic) acid, 3α, 7α-dihydroxy-5β-cholan-24-oic (chenodeoxycholic) acid, 3α,12α-dihydroxy-5β-cholan-24-oic (deoxycholic) acid and 3α,7α,12α-trihydroxy-5β-cholan-24-oic (cholic) acid, and 14 acetylated, trifluoroacetylated, mesylated and oxo derivatives of methyl 5β-cholan-24-oates were prepared and their 17O NMR spectra recorded. In spite of their relatively high molecular masses and the rigid molecular structure of the steroid skeleton, most of the oxygens included in these structures gave well resolved 17O NMR resonance lines at natural abundance in 0.25–0.5 M acetonitrile solutions at 75°C. In agreement with the …

Oxygen-17NMR spectra databasechemistry.chemical_compoundchemistryStereochemistryAlkane stereochemistryRelaxation (NMR)SubstituentMoleculeGeneral Materials ScienceGeneral ChemistryResonance (chemistry)AcetonitrileMagnetic Resonance in Chemistry
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Occurrence, distribution and behavior of emerging persistent organic pollutants (POPs) in a Mediterranean wetland protected area.

2018

The analysis of perfluoroalkyl substances (PFASs) and organophosphate flame retardants (PFRs) in the different environmental compartments of a characteristic coastal wetland, the Albufera Natural Park (Valencia, Spain), is required for understanding the transport, accumulation and fate of these pollutants in an area under high anthropogenic pressure. Samples included 13 wastewater treatment plant influents, 13 effluents, 12 surface water, 19 sediment samples and 10 fish individuals from the Albufera Natural Park and the surrounding area. Tris(2-chloroisopropyl) phosphate (TCIPP) and perfluorooctane sulfonate (PFOS) were at the highest concentrations in water, 330.2 ng L−1 and 47.8 ng L−1, r…

PollutionEnvironmental Engineering010504 meteorology & atmospheric sciencesmedia_common.quotation_subjectWetland010501 environmental sciences01 natural scienceschemistry.chemical_compoundRiversEnvironmental samplesEnvironmental Chemistrymedia_common.cataloged_instanceAnimalsEuropean unionWaste Management and DisposalEffluent0105 earth and related environmental sciencesmedia_commonPollutantgeographyFluorocarbonsgeography.geographical_feature_categoryPollutionPerfluoroalkyl substancesFishchemistryWastewaterAlkanesulfonic AcidsSpainEnvironmental chemistryOrganophosphorus flame retardantsWetlandsWetlandEnvironmental sciencePerfluorooctanoic acidSedimentSurface waterWater Pollutants ChemicalEnvironmental MonitoringThe Science of the total environment
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