Search results for "Organic Compounds"

showing 10 items of 271 documents

Associations of diet and lifestyle factors with common volatile organic compounds in exhaled breath of average-risk individuals.

2018

Background Detection of diseases via exhaled breath remains an attractive idea despite persisting gaps in understanding the origin of volatile organic compounds (VOCs) and their relationship with the disease of interest. Data on factors potentially influencing the results of breath analysis remain rather sparse and often controversial. In this study, we aimed to investigate the associations of common VOCs in exhaled breath of average-risk individuals with socio-demographic and lifestyle factors, medical conditions as well as diet. Methods Alveolar breath samples of 1447 men and women were collected in the morning after fasting and were analyzed using gas-chromatography linked with mass-spec…

Pulmonary and Respiratory MedicineAdultMaleMultivariate analysisDietary factorsDisease01 natural sciences03 medical and health sciences0302 clinical medicineRisk FactorsEnvironmental healthMedicineHumansLife StyleAverage riskVolatile Organic Compoundsbusiness.industry010401 analytical chemistryExhalationMiddle Aged0104 chemical sciencesDietLifestyle factors030228 respiratory systemBreath gas analysisBreath TestsExhalationMultivariate AnalysisPopulation studyFemalebusinessJournal of breath research
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Ex vivo emission of volatile organic compounds from gastric cancer and non-cancerous tissue

2018

The presence of certain volatile organic compounds (VOCs) in the breath of patients with gastric cancer has been reported by a number of research groups; however, the source of these compounds remains controversial. Comparison of VOCs emitted from gastric cancer tissue to those emitted from non-cancerous tissue would help in understanding which of the VOCs are associated with gastric cancer and provide a deeper knowledge on their generation. Gas chromatography with mass spectrometric detection (GC-MS) coupled with head-space needle trap extraction (HS-NTE) as the pre-concentration technique, was used to identify and quantify VOCs released by gastric cancer and non-cancerous tissue samples c…

Pulmonary and Respiratory MedicineAdultMaleUrine01 natural sciencesGas Chromatography-Mass Spectrometry03 medical and health scienceschemistry.chemical_compound0302 clinical medicineLimit of DetectionStomach NeoplasmsmedicineHumansAgedDetection limitCarbon disulfideVolatile Organic CompoundsChromatography010401 analytical chemistryCancerReproducibility of ResultsMiddle Agedmedicine.diseaseToluene0104 chemical sciences3. Good healthchemistryBreath Tests030220 oncology & carcinogenesisFemaleGas chromatographyGas chromatography–mass spectrometryEx vivoBiomarkersJournal of Breath Research
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Geographical variation in the exhaled volatile organic compounds.

2013

Breath-gas analysis has demonstrated that concentration profiles of volatile organic compounds (VOCs) could be used for detecting a variety of diseases, among them gastric cancer (GC) and peptic ulcer disease (PUD). Here, we explore how geographical variation affects the disease-specific changes in the chemical composition of breath samples, as compared to control states (less severe gastric conditions). Alveolar exhaled breath samples from 260 patients were collected at two remotely different geographic locations (China and Latvia), following similar breath-collection protocols. Each cohort included 130 patients that were matched in terms of diagnosis (37 GC/32 PUD/61 controls), average ag…

Pulmonary and Respiratory MedicineAdultMalemedicine.medical_specialtyHelicobacter pylori infectionPathologyChinaDiagnostic methodsSmoking habitStomach DiseasesGastroenterologyGas Chromatography-Mass SpectrometryYoung AdultAge DistributionInternal medicinemedicineHumansSex DistributionAgedAged 80 and overVolatile Organic Compoundsbusiness.industryExhalationMiddle Agedmedicine.diseaseGastric DiseasesLatviaBreath TestsExhalationPeptic ulcerFemaleGas chromatographyGas chromatography–mass spectrometryMorbiditybusinessBiomarkersJournal of breath research
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Real time analysis of volatile organic compounds (VOCs) in centenarians.

2014

Centenarians are a model to study human longevity and the physiological process of aging. A plethora of studies on this model show the complexity of the system. Laboratory studies fail to find a biomarker of senescence. The real time exhaled breath volatile organic compounds (VOCs) has been suggested as a new biomarker to detect and monitor physiological processes in the respiratory system. VOCs exhaled by centenarians have not been studied in the general population and across-age-groups. In the present study we investigated, in real time, the breath properties and VOC exhaled content in healthy centenarians as compared with non-centenarian seniors and young healthy subjects. We found disti…

Pulmonary and Respiratory MedicineAdultTime FactorsPhysiologymedia_common.quotation_subjectPopulationLongevityToxicologyYoung AdultHumanseducationReal time analysismedia_commonAged 80 and overeducation.field_of_studyVolatile Organic CompoundsChemistryGeneral NeuroscienceRespirationHealthy subjectsLongevityBiomarkerBreath TestsEnvironmental chemistryHuman longevityCentenarianRespiratory physiologyneurobiology
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Analysis of the effects of microbiome-related confounding factors on the reproducibility of the volatolomic test.

2016

Volatile organic compound (VOC) testing in breath has potential in gastric cancer (GC) detection. Our objective was to assess the reproducibility of VOCs in GC, and the effects of conditions modifying gut microbiome on the test results. Ten patients with GC were sampled for VOC over three consecutive days; 17 patients were sampled before and after H. pylori eradication therapy combined with a yeast probiotic; 61 patients were sampled before and after bowel cleansing (interventions affecting the microbiome). The samples were analyzed by: (1) gas chromatography linked to mass spectrometry (GC-MS), applying the non-parametric Wilcoxon test (level of significance p    0.05); (2) by cross-reacti…

Pulmonary and Respiratory MedicineMalemedicine.medical_specialtyPathologyColonoscopyGastroenterologyGas Chromatography-Mass Spectrometrylaw.invention03 medical and health sciencesProbiotic0302 clinical medicinelawStomach NeoplasmsInternal medicinemedicineHumansMicrobiomeAgedAged 80 and overReproducibilityVolatile Organic Compoundsmedicine.diagnostic_testChemistryMicrobiotaConfoundingReproducibility of ResultsMiddle AgedRegimenBreath Tests030220 oncology & carcinogenesis030211 gastroenterology & hepatologyFemaleGas chromatographyGas chromatography–mass spectrometryJournal of breath research
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Pathologies currently identified by exhaled biomarkers.

2013

Ancient Greek physicians already knew that the smell of human breath could provide a clue to the pathology. Nowadays, volatile breath biomarkers are known to be released in a broad range of diseases. However, their identification, isolation, and quantification as indicative of relevant alterations in clinical status have required the development of new techniques and analytical methods. Breath sample analysis encounters several obstacles. Particularly, there is a need of a system that could work in a continuous manner, with the low concentration and small volume of a sample. Herein we review, in the light of literature and our experience, clinical applications of the metal oxide semiconduct…

Pulmonary and Respiratory Medicinemedicine.medical_specialtyPathologyVolatile Organic CompoundsIsolation (health care)Physiologybusiness.industrySmall volumeGeneral NeuroscienceDiseasemedicine.diseaseOxide semiconductorBreath gas analysisBreath TestsMedicineHumansbusinessIntensive care medicineMultiple chemical sensitivityVolume concentrationBiomarkersRespiratory physiologyneurobiology
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A theoretical study of the low-lying excited states of thieno[3,4-b]pyrazine

2009

The low-lying electronic excited states of thieno[3,4-b]pyrazine have been studied using the multiconfigurational second-order perturbation CASPT2 theory with extended atomic natural orbital basis sets. The CASPT2 results allow for a full interpretation of the electronic absorption and emission spectra and provide valuable information for the rationalization of the experimental data. The nature, position, and intensity of the spectral bands have been analyzed in detail. A preliminary comparative study of the ground-state geometry of thieno[3,4-b]pyrazine has been performed at the coupled cluster single and doubles and density functional theory levels using a variety of correlation-consisten…

PyrazineOrganic compounds perturbation theoryUNESCO::FÍSICAGeneral Physics and AstronomySpectral bandsRydberg statesFluorescenceGround statesCoupled cluster calculations ; Density functional theory ; Fluorescence ; Ground states ; Organic compounds perturbation theory ; Rydberg stateschemistry.chemical_compoundCoupled clusterchemistryCoupled cluster calculations:FÍSICA [UNESCO]Excited stateDensity functional theoryMoietyDensity functional theoryEmission spectrumPhysical and Theoretical ChemistryAtomic physicsGround state
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An unusually high substitution rate in transplant-associated BK polyomavirus in vivo is further concentrated in HLA-C-bound viral peptides

2018

Infection with human BK polyomavirus, a small double-stranded DNA virus, potentially results in severe complications in immunocompromised patients. Here, we describe the in vivo variability and evolution of the BK polyomavirus by deep sequencing. Our data reveal the highest genomic evolutionary rate described in double-stranded DNA viruses, i.e., 10−3–10−5 substitutions per nucleotide site per year. High mutation rates in viruses allow their escape from immune surveillance and adaptation to new hosts. By combining mutational landscapes across viral genomes with in silico prediction of viral peptides, we demonstrate the presence of significantly more coding substitutions within predicted cog…

RNA viruses0301 basic medicineMutation ratePhysiologyvirusesUrinePathology and Laboratory Medicinemedicine.disease_causeBiochemistryMedicine and Health SciencesBiology (General)Amino AcidsGenome EvolutionPhylogenyData ManagementMutationOrganic CompoundsHigh-Throughput Nucleotide SequencingPhylogenetic AnalysisDNA virusGenomicsBody FluidsBK virusPhylogeneticsChemistryMedical MicrobiologyViral PathogensViral evolutionVirusesPhysical SciencesEvolutionary RatePathogensAnatomyResearch ArticleComputer and Information SciencesEvolutionary ProcessesQH301-705.5ImmunologyGenome ViralHLA-C AntigensBiologyMicrobiologyMolecular EvolutionViral EvolutionVirusDeep sequencing03 medical and health sciencesVirologyGeneticsmedicineHumansEvolutionary SystematicsMicrobial PathogensMolecular BiologyTaxonomyEvolutionary BiologyPolyomavirus InfectionsOrganic ChemistryOrganismsChemical CompoundsBiology and Life SciencesComputational BiologyProteinsOrgan TransplantationRC581-607030112 virologyVirologyOrganismal EvolutionPeptide FragmentsPolyomaviruses030104 developmental biologyAmino Acid SubstitutionBK VirusMicrobial EvolutionMutationParasitologyImmunologic diseases. AllergyDNA virusesPolyomavirus Infections
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Crystal structure determination of 1-pentanol from low-temperature powder diffraction data by Patterson search methods

2005

5 pages.-- PACS: 61.66.Hq; 61.50.Lt

RadiationChemistryHydrogen bondNeutron diffractionLattice constantsSpace groupCrystal structureCondensed Matter PhysicsMolecular configurationsX-ray diffractionHydrogen bondsCrystallographyLattice constantOrganic compoundsCrystal structuresX-ray crystallographySpace groupsGeneral Materials ScienceInstrumentationPowder diffractionMonoclinic crystal systemPowder Diffraction
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Electrochemical characterization of mangrove sediments: A proposal of new proxies for organic matter oxidation

2019

Abstract The voltammetric response of microparticulate deposits resulting from solvent evaporation of ethanolic extracts of mangrove sediments in contact with aqueous acetate buffer is hereby described. Dated sediment cores sampled from the Peruvian mangrove system (“Manglares de Tumbes” National Sanctuary) presented voltammetric responses dominated by oxidative signals of organic components that exhibit significant variations depending on the depth. Voltammetric data allowed for the definition of electrochemical indexes representative of the electrochemically oxidable organic matter fraction. These electrochemical indexes were fEAOM (for the total amount of organic matter being electrochem…

Redox state010501 environmental sciences010502 geochemistry & geophysicsElectrochemistryMangrove sediments01 natural sciencesevaporationPeruElectrochemistryChemical analysisInfrared spectroscopyorganic matterchemistry.chemical_classificationAqueous solutionChemistryBiogeochemistryPollutionOrganic matter oxidationEnvironmental chemistryOrganic matter degradationsMangroveoxidationInfrared spectroscopyredox conditionssolventSedimentsVoltammetric responseGeochemistry and PetrologyOrganic compoundsOrganic matter fractionEnvironmental ChemistryOrganic matter14. Life underwaterSpectroscopyOxidation proxies0105 earth and related environmental sciencesparticulate mattermangrove//purl.org/pe-repo/ocde/ford#1.05.00 [https]SedimentBiological materials15. Life on landcoastal sedimentElectrochemical characterizationssediment coreSolvent evaporationVoltammetryethanolacetateaqueous solutionReactive oxygen species
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