Search results for "Orbitrap"

showing 10 items of 74 documents

Effect of protonation and deprotonation on the gas phase reactivity of fluorinated 1,2,4-triazines

2008

Positive and negative electrospray mass spectrometry (MS), in-time and in-space MS n experiments, high-resolution and accurate mass measurements obtained with an Orbitrap, together with density functional theory calculations have been used to study the gas-phase ion chemistry of a series of fluorinated 1,2,4-triazines. As a result of low-energy collision-induced dissociations, occurring in an ion trap and in a triple quadrupole, their protonated and deprotonated molecules show interesting features depending on the nature and structure of the precursor ions. The occurrence of elimination/hydration reactions produced by positive ions in the ion trap is noteworthy. Decompositions of deprotonat…

Models MolecularSpectrometry Mass Electrospray IonizationIONIZATION MASS-SPECTROMETRYFluorine CompoundsAnalytical chemistryProtonationTandem mass spectrometryPhotochemistryOrbitrapIonlaw.inventionchemistry.chemical_compoundDeprotonationStructural BiologylawCHEMISTRYMoleculeComputer SimulationPhysics::Chemical PhysicsNEGATIVE ELECTROSPRAY-IONIZATIONCOLLISION-INDUCED DISSOCIATIONSpectroscopyTRIAZINESHYDRAZINEchemistryModels ChemicalHydroxyl radicalIon trapProtonsFRAGMENTATIONHETEROCYCLES
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Validation of a multi-residue UHPLC-HRMS method for antibiotics screening in milk, fresh cheese, and whey

2022

Abstract The aim of this study was to develop a UHPLC–HRMS methodology as a suitable tool for the screening of antibiotics in milk, fresh cheese, and whey. Compounds were analysed using an Orbitrap Exactive™ analyser working at a resolving power of 50,000 FWHM in full scan, both in positive and negative electrospray ionization mode, and a high mass accuracy (

Multi residueChromatographyChemistrylawElectrospray ionizationAnalyserUhplc hrmsOrbitrapFood Sciencelaw.inventionJournal of Food Composition and Analysis
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Occurrence and exposure assessment of mycotoxins in ready-to-eat tree nut products through ultra-high performance liquid chromatography coupled with …

2020

Tree nuts have become popular snacks due to their attributed benefits in the health state. Nevertheless, their susceptibility to fungal contamination lead to the occurrence of potentially dangerous mycotoxins. Hence, the aim of this work was to evaluate the presence of mycotoxins in ready-to-eat almonds, walnuts, and pistachios from Italian markets. The most relevant mycotoxin found in almonds was α-zearalanol in 18% of samples (n = 17) ranging from 3.70 to 4.54 µg/kg. Walnut samples showed frequent contamination with alternariol, present in 53% of samples (n = 22) at levels from 0.29 to 1.65 µg/kg. Pistachios (n = 15) were the most contaminated commodity, with β-zear…

NutTolerable daily intakeEndocrinology Diabetes and Metabolismlcsh:QR1-502AlternariolBiologyAlmondOrbitrap01 natural sciencesBiochemistrylcsh:MicrobiologyArticlelaw.inventionchemistry.chemical_compoundQ-Exactive Orbitrap0404 agricultural biotechnologylawmycotoxinsFood scienceMycotoxinPistachioMolecular Biologyalmonds; pistachios; walnuts; mycotoxins; Q-Exactive Orbitrap; risk characterizationExposure assessmentMycotoxinWalnuts010401 analytical chemistryRisk characterizationalmonds04 agricultural and veterinary sciencesContaminationAlternariabiology.organism_classification040401 food science0104 chemical scienceschemistrypistachios
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A reliable screening of mycotoxins and pesticide residues in paprika using ultra-high performance liquid chromatography coupled to high resolution Or…

2016

Abstract In this study, an ultra-high performance liquid chromatography (UHPLC) coupled to a high resolution Orbitrap mass spectrometry (Orbitrap-HRMS) was demonstrated as a promising technique in high-throughput method development for the routine analysis and contamination control of mycotoxins and pesticide residues in spices. The method was applied for the analysis of fifty ground paprika samples containing blends of sweet and hot paprika harvested in Brazil and China. The efficiency and detection sensitivity of the used UHPLC-Orbitrap-HRMS technique were compared to the results obtained using a triple quadrupole tandem mass spectrometric detector (UHPLC-QqQ-MS/MS). The values of recover…

Ochratoxin AChromatographyPesticide residueResolution (mass spectrometry)010401 analytical chemistry04 agricultural and veterinary sciencesOrbitrap040401 food science01 natural sciences0104 chemical sciencesTriple quadrupole mass spectrometerlaw.inventionchemistry.chemical_compound0404 agricultural biotechnologychemistrylawFumonisinmedia_common.cataloged_instanceEuropean unionMycotoxinFood ScienceBiotechnologymedia_commonFood Control
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Mass spectrometry strategies for mycotoxins analysis in European beers

2013

In this work, an existent solid-phase extraction (SPE) procedure was used to study the occurrence of mycotoxins in different European beers. HPLC-QqQ-MS/MS and ultra high resolution mass analyser have been optimized for the analysis of 18 mycotoxins: the methods were validated according to the EU Commission Decision 2002/657/EC guidelines. In this sense, matrix-matched calibration was performed for each type of beer, obtaining an effective quantification. The recoveries ranged from 63 to 91% and repeatability and reproducibility expressed as relative standard deviation (RSD%) were lower than 17%. On one hand, HPLC-LTQ-Orbitrap ® was used for unambiguous identification of target mycotoxins, …

Ochratoxin ATriple quadrupoleChromatographyRelative standard deviationBeerRepeatabilityMycotoxinsMass spectrometryOrbitrapUltra high resolutionOrbitraplaw.inventionTriple quadrupole mass spectrometerchemistry.chemical_compoundchemistrylawSPEMycotoxinFood ScienceBiotechnology
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Populācijas biomarķieru noteikšana notekūdeņos ar nano-plūsmas šķidrumu hromatogrāfiju- masspektrometriju

2022

Darba gaitā tika ievākti notekūdeņu paraugi no dažādām Latvijas pilsētu (Daugavpils, Jelgava, Jēkabpils, Jūrmala, Liepāja, Rēzekne, Rīga, Salaspils, Tukums, Valmiera un Ventspils) notekūdeņu attīrīšanas iekārtām. Pielietojot nano-plūsmas šķidruma hromatogrāfijas – Orbitrap masspektrometriskās metodi tika veikta populācijas biomarķieru un farmaceitisko līdzekļu satura noteikšana notekūdeņos. Tetrabultiamonija bromīds tika izmantots par jonu pāru reaģentu injekcijas sastāvā, lai uzlabotu polāro analītu sorbciju kolonnā. Veicot paraugu sagatavošanu bez papildu attīrīšanas ar dilute-and-shoot pieeju un izmantojot atšķaidīšanas faktoru 5 tika panākta jutība no 0,005 līdz 0,3 µg/L ar matricas efe…

POPULĀCIJAS BIOMARĶIERINANOPLŪSMAS ŠĶIDRUMA HROMATOGRĀFIJAORBITRAP MASSPEKTROMETRIJANOTEKŪDEŅIFARMACEITISKIE SAVIENOJUMIĶīmija
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Analysis of Phenolic Compounds in Commercial

2019

Industrial hemp (Cannabis sativa L. Family Cannabaceae) contains a vast number of bioactive relevant compounds, namely polyphenols including flavonoids, phenolic acids, phenol amides, and lignanamides, well known for their therapeutic properties. Nowadays, many polyphenols-containing products made of herbal extracts are marketed, claiming to exert health-promoting effects. In this context, industrial hemp inflorescence may represent an innovative source of bioactive compounds to be used in nutraceutical formulations. The aim of this work was to provide a comprehensive analysis of the polyphenolic fraction contained in polar extracts of four different commercial cultivars (Kompoti, Tiborszal…

Plant ExtractsDietary SupplementsPolyphenolsQuercetinCannabis sativa L.UHPLC-Q-Orbitrap HRMSInflorescenceFlavonesCatechinChromatography High Pressure LiquidArticleCannabisMolecules (Basel, Switzerland)
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Analysis of Phenolic Compounds in Commercial Cannabis sativa L. Inflorescences Using UHPLC-Q-Orbitrap HRMS

2020

Industrial hemp (Cannabis sativa L. Family Cannabaceae) contains a vast number of bioactive relevant compounds, namely polyphenols including flavonoids, phenolic acids, phenol amides, and lignanamides, well known for their therapeutic properties. Nowadays, many polyphenols-containing products made of herbal extracts are marketed, claiming to exert health-promoting effects. In this context, industrial hemp inflorescence may represent an innovative source of bioactive compounds to be used in nutraceutical formulations. The aim of this work was to provide a comprehensive analysis of the polyphenolic fraction contained in polar extracts of four different commercial cultivars (Kompoti, Tiborszal…

PolyphenolDPPHuhplc-q-orbitrap hrmsPharmaceutical ScienceContext (language use)01 natural sciencesAnalytical Chemistrylcsh:QD241-441chemistry.chemical_compound0404 agricultural biotechnologyNutraceuticalFlavonolslcsh:Organic chemistryDrug DiscoveryCultivarFood sciencePhysical and Theoretical Chemistrypolyphenolschemistry.chemical_classification010405 organic chemistryOrganic ChemistryCatechin04 agricultural and veterinary sciences040401 food science0104 chemical scienceschemistryInflorescenceChemistry (miscellaneous)Polyphenol<i>cannabis sativa</i> l.Molecular MedicineCannabis sativa LMolecules
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Fast analysis of polyphenols and alkaloids in cocoa-based products by ultra-high performance liquid chromatography and Orbitrap high resolution mass …

2018

The cocoa varieties Criollo, Forastero and Trinitario, which have different organoleptic properties, quite often are mixed together in cocoa-based products. The objective of this work was to develop a rapid method for the simultaneous determination of polyphenols (n = 35) and alkaloids (n = 2) in cocoa-based products by using the high throughput advantages provided by the Q Exactive Hybrid Quadrupole-Orbitrap Mass Spectrometer (FIRMS). The proposed procedure was optimized and validated in terms of selectivity and specificity (mass accuracy 0.990), accuracy (recovery range from 89.1 to 112.4%) and precision (relative standard deviation < 10%). The method was applied to 80 cocoa-based samples…

PolyphenolHigh-resolution mass spectrometryRelative standard deviationOrganolepticOrbitrapMass spectrometry01 natural scienceslaw.inventionQ-Exactive Orbitrap0404 agricultural biotechnologyCocoaAlkaloidslawTandem Mass SpectrometryAlkaloidStructural isomerFood analysis.Chromatography High Pressure LiquidCacaoChromatographyChemistry010401 analytical chemistryOrbitrap msUltra-high performance liquid chromatographyPolyphenols04 agricultural and veterinary sciences040401 food science0104 chemical sciencesPolyphenolUltra high performanceFood ScienceFood research international (Ottawa, Ont.)
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Protein Biomarkers of Bovine Defective Meats at a Glance: Gel-Free Hybrid Quadrupole-Orbitrap Analysis for Rapid Screening

2021

An understanding of biological mechanisms that could be involved in the stress response of animal cattle prior to slaughter is critical to create effective strategies aiming at the production of high-quality meat. The sarcoplasmic proteome of directly extracted samples from normal and high ultimate pH (pHu) meat groups was studied through a straightforward gel-free strategy supported by liquid chromatography hybrid quadrupole-Orbitrap high-resolution mass spectrometry (LC-HRMS) analysis. A stepped proteomic pipeline combining rapid biomarker hunting supported by qualitative protein Mascot scores followed by targeted label-free peptide quantification revealed 26 descriptors that characterize…

Proteomics0106 biological sciencesLongissimus thoracis muscleMeatProtein biomarkersPHrapid proteomic screeningMuscle ProteinsOrbitrapchemistry01 natural sciencesArticlelaw.inventionproteomicsmeat biomarkerslawAnimalsFood scienceMuscle SkeletaldegradationGel freelongissimus-thoracis musclephosphorylation010401 analytical chemistryGeneral Chemistrybeef0104 chemical sciencescolorpre-slaughter stressCattleGeneral Agricultural and Biological Scienceshigh-resolution proteomicsenvironmentBiomarkersmeat quality assessment010606 plant biology & botanydark
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