Search results for "aromatic amines"

showing 3 items of 3 documents

Comprehensive analysis of photoinitiators and primary aromatic amines in food contact materials using liquid chromatography High-Resolution Mass Spec…

2018

Abstract A comprehensive strategy for the analysis of UV-ink photoinitiators and primary aromatic amines (PAAS) in food-packaging materials such as, juice tetrabricks, pouches and bags has been developed using liquid chromatography coupled to Orbitrap High-Resolution Mass Spectrometry (LC-Orbitrap-HRMS). The methodology includes both quantitative target analysis and post-run target screening analysis. The quantitative method was validated after a previous optimisation of the single-stage Orbitrap fragmentation through the Higher-Energy Collisional Dissociation (HCD) Cell. Overall, the quantitative method presented recoveries ranging from 78% to 119%, with a precision (RSD) lower than 20%, f…

02 engineering and technologyMass spectrometryOrbitrapPrimary aromatic amines01 natural sciencesMass SpectrometryPhotoinitiatorsAnalytical Chemistrylaw.inventionchemistry.chemical_compoundFood packagingAnilinelawBenzophenoneDetection limitChromatography010401 analytical chemistryHigh-Resolution021001 nanoscience & nanotechnologyThioxanthoneOrbitrap0104 chemical scienceschemistryPerfluorooctanoic acid0210 nano-technologyTriphenyl phosphate
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Biopartitioning micellar chromatography to pedict mutagenicity of aromatic amines

2007

[EN] Mutagenicity is a toxicity endpoint associated with the chronic exposure to chemicals. Aromatic amines have considerable industrial and environmental importance due to their widespread use in industry and their mutagenic capacity. Biopartitioning micellar chromatography (BMC), a mode of micellar liquid chromatography that uses micellar mobile phases of Brij35 in adequate experimental conditions, has demonstrated to be useful in mimicking the drug partitioning process into biological systems. In this paper, the usefulness of BMC for predicting mutagenicity of aromatic amines is demonstrated. A multiple linear regression (MLR) model based on BMC retention data is proposed and compared wi…

Chronic exposureQuantitative structure–activity relationshipPredictive capabilityQuantitative Structure-Activity RelationshipAromatic aminesHigh-performance liquid chromatographyModels BiologicalMutagenicityDrug DiscoveryQUIMICA ANALITICAOrganic chemistryComputer SimulationAminesLeast-Squares AnalysisMicellesPharmacologychemistry.chemical_classificationChromatographyChromatographyOrganic ChemistryAromatic amineGeneral MedicineBiopartitioning micellar chromatographychemistryMicellar liquid chromatographyMutagenesisQuantitative retentione-activity relationships
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13C-NMR Based Evaluation of the Electronic and Steric Interactions in Aromatic Amines

2005

Abstract: Chemical shifts of the para carbon atoms, δ(13C-4), in a series of aromatic amines were used to calculate the Ãp, ÃR and ÃOR substituent constants for different amino groups. 1-Pyrrolidino, N,N-di-n-butylamino and N,N-diethylamino groups were found to be the most strong electron-donors. ortho-Substitution decreases the donor properties of the amino group. The amino groups in 2,6-di-i-propylaniline and N,N-2,6-tetramethylaniline have very weak electron-donor properties. The nitrogen atom in benzoquinuclidine and N,N-dimethyl-2,6-di-i-propylaniline have an electron-acceptor character. The calculated substituent constants of the amino groups studied are consistent with the s…

Steric effectsAmino groups; substituent effects; steric inhibition to resonance; 13C- and 15N-NMR; aromatic aminesStereochemistryaromatic aminesSubstituentsteric inhibition to resonanceMedicinal chemistryCatalysisInorganic Chemistrylcsh:Chemistrychemistry.chemical_compoundGroup (periodic table)AtomElectronic effectReactivity (chemistry)Physical and Theoretical ChemistryMolecular Biologylcsh:QH301-705.5SpectroscopyAmino groupssubstituent effectsChemistryChemical shiftOrganic Chemistry13C- and 15N-NMRGeneral MedicineCarbon-13 NMRComputer Science Applicationslcsh:Biology (General)lcsh:QD1-999International Journal of Molecular Sciences
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