Search results for "Applied Chemistry"

showing 3 items of 3 documents

Atomistic modeling of crystal structure of Ca1.67SiHx

2015

The atomic structure of calcium-silicate-hydrate (C-1.67-S-H-x) has been investigated by theoretical methods in order to establish a better insight into its structure. Three models for C-S-H all derived from tobermorite are proposed and a large number of structures were created within each model by making a random distribution of silica oligomers of different size within each structure. These structures were subjected to structural relaxation by geometry optimization and molecular dynamics steps. That resulted in a set of energies within each model. Despite an energy distribution between individual structures within each model, significant energy differences are observed between the three m…

Materials scienceRelaxation (NMR)Structure (category theory)Applied ChemistryTobermoriteBuilding and ConstructionCrystal structureCalcium-Silicate-Hydrate (C-S-H) (B); Crystal Structure (B); Atomistic simulationEnergy minimizationInorganic ChemistryCrystallographyMolecular dynamicsChemical physicsTheoretical chemistryMoleculeGeneral Materials ScienceTheoretical Chemistry
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Where Does Nε-Trimethyllysine for the Carnitine Biosynthesis in Mammals Come from?

2014

N(ε)-trimethyllysine (TML) is a non-protein amino acid which takes part in the biosynthesis of carnitine. In mammals, the breakdown of endogenous proteins containing TML residues is recognized as starting point for the carnitine biosynthesis. Here, we document that one of the main sources of TML could be the vegetables which represent an important part of daily alimentation for most mammals. A HPLC-ESI-MS/MS method, which we previously developed for the analysis of N(G)-methylarginines, was utilized to quantitate TML in numerous vegetables. We report that TML, believed to be rather rare in plants as free amino acid, is, instead, ubiquitous in them and at not negligible levels. The occurrenc…

Spectrometry Mass Electrospray IonizationLysinelcsh:MedicineGene ExpressionEndogenyPlant ScienceBiologyBiosynthesisFree aminoBiochemistryFluorescenceAnalytical Chemistrychemistry.chemical_compoundBiosynthesisCarnitineChemical BiologyVegetablesGeneticsmedicineAnimalsCarnitinelcsh:ScienceBiologyProtein MetabolismNutritionMammalschemistry.chemical_classificationChromatographyChromatography Reverse-PhaseMultidisciplinaryPlant ExtractsLysinelcsh:RApplied ChemistryBiosynthetic PathwaysAmino acidChemistryProtein catabolismMetabolismBiochemistrychemistryCarnitine biosynthesisMedicinelcsh:QProtein TranslationResearch ArticleChromatography Liquidmedicine.drugPLoS ONE
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How subtle is the "terroir" effect? Chemistry-related signatures of two "climats de Bourgogne".

2014

The chemical composition of grape berries is influenced by various environmental conditions often considered to be representative of a "terroir". If grapes from a given terroir are assumed to reflect this origin in their chemical compositions, the corresponding wine should also reflect it. The aim of this work was therefore to reveal the "terroir" expression within the chemodiversity of grapes and related wines, using ultrahigh-resolution mass spectrometry. Grapes and corresponding wines, from two distinct - though very proximate - terroirs of Burgundy were analyzed over three vintages (2010, 2011 and 2012). Ultrahigh-resolution mass spectrometry and ultra-high performan…

VintageProteomicsClimatelcsh:MedicineWinePlant ScienceResearch and Analysis MethodsBiochemistryMass SpectrometryAnalytical ChemistryChemical AnalysisStatistical analysesBotanySpectroscopy Fourier Transform InfraredChemical BiologyVitisFood sciencelcsh:ScienceTerroirWineMultidisciplinarySpectrometric Identification of ProteinsChemical EcologyEcologyPlant BiochemistrySystems BiologyEcology and Environmental SciencesChromatographic Techniqueslcsh:RApplied ChemistryBiology and Life SciencesChemistryChemical PropertiesFruitPhysical Scienceslcsh:QResearch ArticlePLoS ONE
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