Search results for "Aromatic amine"

showing 10 items of 10 documents

Biopartitioning micellar chromatography: An alternative high-throughput method for assessing the ecotoxicity of anilines and phenols

2007

An investigation of the use of the chromatographic retention (log k) as an in vitro approach for modelling the toxicity to Fathead Minnows of anilines and phenols is developed. A data set of 65 compounds with available experimental toxicity data was used. Log k data at three pH values were used for the compounds classification and two groups or 'MODEs' were identified. For one 'MODE' a quantitative retention-activity relationship (QRAR) model was calculated. Finally, it was used to estimate the toxicity to Fathead minnows of anilines and phenols for which experimental data are not available. These estimations were compared to those obtained from another toxicity (to Tetrahymena pyriformis) …

chemistry.chemical_classificationQuantitative structure–activity relationshipAniline CompoundsChromatographyToxicity dataTetrahymena pyriformisClinical BiochemistryCyprinidaeQuantitative Structure-Activity RelationshipAromatic amineExperimental dataCell BiologyGeneral MedicineBiochemistryAnalytical Chemistrychemistry.chemical_compoundPhenolschemistryTetrahymena pyriformisToxicityAnimalsSpectrophotometry UltravioletPhenolsEcotoxicityChromatography Micellar Electrokinetic CapillaryJournal of Chromatography B
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Two Novel Ternary Dicopper(II) μ-Guanazole Complexes with Aromatic Amines Strongly Activated by Quantum Dots for DNA Cleavage

2013

Two novel (μ-guanazole)-bridged binuclear copper(II) complexes with 1,10-phenanthroline (phen) or 2,2'-bipyridine (bipy), [Cu2(μ-N2,N4-Hdatrz)(phen)2(H2O)(NO3)4] (1) and [Cu2(μ-N1,N2-datrz)2(μ-OH2)(bipy)2](ClO4)2 (2) (Hdatrz = 3,5-diamino-1,2,4-triazole = guanazole), have been prepared and characterized by X-ray diffraction, spectroscopy, and susceptibility measurements. Compounds 1 and 2 differ in the aromatic amine, which acts as a coligand, and in the Cu···Cu'-bridging system. Compound 1, which contains two mono-bridged copper ions, represents the first example of a discrete Cu-(NCN-trz)-Cu' complex. Compound 2, with two triply bridged copper ions, is one of the few compounds featuring a…

Models MolecularStereochemistryTriazolechemistry.chemical_elementSulfidesCrystallography X-RayCleavage (embryo)Inorganic Chemistrychemistry.chemical_compoundGuanazoleQuantum DotsCadmium CompoundsOrganometallic CompoundsMoleculeAminesDNA CleavagePhysical and Theoretical ChemistrySelenium CompoundsGroup 2 organometallic chemistrychemistry.chemical_classificationMolecular StructureAromatic amineDNAFluorescenceCopperCrystallographychemistryZinc CompoundsTernary operationCopper
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Is the chromanol head group of vitamin E nature's final truth on chain-breaking antioxidants?

2012

AbstractTocopherol is believed to be the most potent naturally occurring chain-breaking antioxidant. Hence, its refined phenolic head group chromanol may represent an optimum evolutionary solution to the problem of free-radical chain reactions in the lipid bilayer. To test the universal validity of this assumption beyond phenolic head groups, we have synthesized aromatic amine analogues of vitamin E and trolox with otherwise closely matching physicochemical properties: NH-toc and NH-trox. We have found that NH-toc and NH-trox were significantly more potent free radical scavengers, lipid peroxidation inhibitors and cytoprotective agents than their phenolic templates, tocopherol and trolox. I…

AntioxidantFree RadicalsStereochemistryHead (linguistics)Troloxmedicine.medical_treatmentLipid BilayersBiophysicsPhenothiazineBiochemistryAntioxidantsLipid peroxidationchemistry.chemical_compoundPhenolsStructural BiologyGeneticsmedicineAnimalsVitamin EOrganic chemistryTocopherolAminesChromansLipid bilayerMolecular Biologychemistry.chemical_classificationTocopherolMolecular StructureChemistryVitamin EAromatic amineFree Radical ScavengersCell BiologyLipid PeroxidationTroloxAntioxidantFEBS Letters
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Design, synthesis and biological evaluation of novel stilbene-based antitumor agents

2008

A series of novel stilbene derivatives has been synthesized and studied with the main goal to investigate SAR of the amino compound 1a, as well as to improve its water solubility, a potentially negative aspect of the molecule that could be a serious obstacle for a pre-clinical development. We have obtained derivatives with good cytotoxic activity, in particular, the derivatives 5c and 6b could represent two novel leads for further investigation. Compound 8b, a morpholino-carbamate derivative, prodrug of 1a, has a very good solubility in water, and is active in suppressing growth of tumor cells at a concentration of 5000 nM, which is a concentration 100 times higher than the parent stilbene …

Molecular modelClinical BiochemistryAntitumor agents; Prodrugs; Stilbenes;Pharmaceutical ScienceAntineoplastic AgentsBiochemistryChemical synthesisStructure-Activity RelationshipTubulinCell Line TumorStilbenesDrug DiscoveryHumansMoleculeOrganic chemistryProdrugsAminesSolubilityMolecular BiologyCell Proliferationchemistry.chemical_classificationAqueous solutionDose-Response Relationship DrugOrganic ChemistryAromatic amineProdrugCombinatorial chemistryIn vitroSolubilitychemistryDrug DesignMolecular MedicineBioorganic & Medicinal Chemistry
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Susceptibility of Methyl 3-Amino-1H-pyrazole-5-carboxylate to Acylation

2009

Abstract In the search for a new method of synthesis of hybrid peptides with aminopyrazole carboxylic acid, we tried to force selective acylation at the aromatic amino group instead of at the ring nitrogen atom with fairly gentle acylating agents. The acylating agents used were acid anhydrides: acetic anhydride, tert-butyl pyrocarbonate, and 2-(2-methoxyethoxy)ethoxyacetic acid/dicyclohexylcarbodiimide. We succceded in acylation at this amino group with almost none at the ring nitrogen atom. Sometimes, however, acylation in small quantities at the ring nitrogen atom was observed as a by-product. To remove this by-product, imidazole was used. Thus, we were able to obtain the hybrid peptides …

chemistry.chemical_classificationmethyl 3-amino-1H-pyrazole-5-carboxylatearomatic amineCarboxylic acidOrganic ChemistryAromatic aminePyrazoletert-butyloxycarbonylationRing (chemistry)Combinatorial chemistryAcylationchemistry.chemical_compoundAcetic anhydridechemistryacylationOrganic chemistryImidazoleCarboxylate2-(2-methoxyethoxy)ethoxyacetylationacetylationSynthetic Communications
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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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TiO2/Ag2O immobilized on cellulose paper: A new floating system for enhanced photocatalytic and antibacterial activities

2021

Paper-TiO2-Ag2O floating photocatalysts were produced under mild condition and their photocatalytic activity for the degradation of aromatic amine under sunlight stimulant was investigated. Characterizations by Raman, XRD, XPS, DRS and PL confirmed the presence of TiO2 and Ag2O, and the morphology of the appended TiO2/Ag2O layer was probed by FE-SEM. The photocatalytic activity of the prepared samples was investigated by the degradation of aniline (AN) in water under simulated sun-light illumination and constrained conditions, i.e. non-stirring and non-oxygenation. The presence of Ag2O combined with TiO2 was shown to improve the resistance of paper to bacteria attack, thus increasing the du…

PaperMaterials science010501 environmental sciences01 natural sciencesBiochemistry03 medical and health sciencessymbols.namesakechemistry.chemical_compound0302 clinical medicineAnilineX-ray photoelectron spectroscopyTiO2–Ag2O heterojunctionPaper TiO2-Ag2O heterojunction Self-cleaning Surface functionalization Floating photocatalyst030212 general & internal medicineCellulose0105 earth and related environmental sciencesGeneral Environmental Sciencechemistry.chemical_classificationAromatic amineSettore CHIM/06 - Chimica OrganicaChemical engineeringchemistrySurface functionalizationsymbolsPhotocatalysisDegradation (geology)Surface modificationRaman spectroscopySelf-cleaningFloating photocatalyst
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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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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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Degradation of heterocyclic aromatic amines in oil under storage and frying conditions and reduction of their mutagenic potential.

2007

Heterocyclic aromatic amines (HAA) were systematically studied concerning their partition behavior in water/oil-systems and their thermostability in different animal derived fats and vegetable oils. Partitioning of IQx-compounds and PhIP in water/oil systems was found to depend on the polarity defined by the molecular structure and on the pH-value of the aqueous phase. In particular, beta-carbolines norharman and harman showed a significant strong lipophilic character at alkaline pH. After heating in frying fats at 130 degrees C, contents of IQx compounds and PhIP were reduced by more than 40% and after heating at 180 degrees C less than 10% of the HAA initial concentration was recovered. B…

Salmonella typhimuriumHot TemperatureMutagenToxicologymedicine.disease_causeLipid oxidationHeterocyclic CompoundsmedicineOrganic chemistryPlant OilsCookingAminesThermostabilitychemistry.chemical_classificationDose-Response Relationship DrugMolecular StructureMutagenicity TestsAqueous two-phase systemAromatic amineWaterGeneral MedicineDietary FatschemistryHeterocyclic compoundDegradation (geology)Oxidation-ReductionGenotoxicityFood ScienceMutagensFood and chemical toxicology : an international journal published for the British Industrial Biological Research Association
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