A computational foray into the mechanism and catalysis of the adduct formation reaction of guanine with crotonaldehyde
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.25595
Abstract: Crotonaldehyde, a common environmental pollutant and product of endogenous lipid peroxidation, reacts with guanine to form DNA adducts with pronounced genotoxicity and mutagenicity. Here, we explore the molecular mechanism of this adduct formation using double‐hybrid… read more here.
Keywords: mechanism; addition; adduct; reaction ... See more keywords
Theoretical and experimental investigation of UV–Vis absorption spectrum in a Eu(3+) based complex for luminescent downshifting applications
Sign Up to like & getrecommendations! Published in 2017 at "Theoretical Chemistry Accounts"
DOI: 10.1007/s00214-017-2151-6
Abstract: The adduct between Tris[3-(trifluoromethylhydroxymethilene)-d-camphorate]europium(III) and 4,4’-Bis(N,N-dimethylamino)benzophenone (EABP) presents an absorption band in the visible region that the neat reagents do not display, making this system interesting as an antenna system devoted to an efficient absorption in the… read more here.
Keywords: absorption; experimental investigation; adduct; theoretical experimental ... See more keywords
Bis-heteroleptic ruthenium(II) complex with 2-picolinamide: Synthesis, crystal structures, and spectroscopic study for anion recognition using the amide group
Sign Up to like & getrecommendations! Published in 2019 at "Inorganica Chimica Acta"
DOI: 10.1016/j.ica.2018.10.060
Abstract: Abstract Cis-[Ru(bpy)2(OH2)2](OTf)2 (1·(OTf)2; OTf− = CF3SO3−) was reacted with 2-picolinamide (H2pia) in EtOH to form bis-heteroleptic complex [Ru(bpy)2(H2pia)]X2 (2·X2; X− = OTf− or Cl−). Crystal structures of 2·X2 revealed that H2pia was coordinated to Ru(II) through N of pyridyl… read more here.
Keywords: group; adduct; crystal structures; study ... See more keywords
Selective photocatalytic oxidation of 5-hydroxymethylfurfural to 2,5-furandicarboxaldehyde by polymeric carbon nitride-hydrogen peroxide adduct
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Catalysis"
DOI: 10.1016/j.jcat.2018.01.012
Abstract: Abstract Polymeric carbon nitride-hydrogen peroxide adduct (PCN-H 2 O 2 ) has been prepared, thoroughly characterised and its application for selective photocatalytic conversion of 5-hydroxymethylfurfural (HMF) to 2,5-furandicarboxaldehyde (FDC) in aqueous suspension has been studied.… read more here.
Keywords: hydrogen; polymeric carbon; adduct; carbon nitride ... See more keywords
Supramolecular interactions in itaconic acid-2-amino-4,6-dimethylpyrimidine molecular adduct: Physicochemical characterisation and quantum chemical calculations for the molecular adduct
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Physics and Chemistry of Solids"
DOI: 10.1016/j.jpcs.2019.01.013
Abstract: Abstract Quantum chemical calculations of an organic molecular adduct, itaconic acid: 2-amino-4,6-dimethylpyrimidine (IADAP) were carried out using B3LYP/6-311G(d,p), Cam-B3LYP/6-311G(d,p) and B3LYP/aug-cc-pVDZ levels of theory. The calculated geometric parameters were in good agreement with experimental values.… read more here.
Keywords: itaconic acid; adduct; quantum chemical; chemical calculations ... See more keywords
Synthesis, structure characterization, and anticancer activity of a novel oxygen-bridged tricyclic Biginelli adduct
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2017.02.091
Abstract: Abstract Herein, we report the one-pot cyclization of Biginelli Adduct, ethyl 4-(2-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate ( I) to the oxygen-bridged adduct, ethyl 2-methyl-4-thioxo-3,4,5,6-tetrahydro-2 H -2,6-methanobenzo[ g ] [1,3,5]oxadiazocine-11-carboxylate ( II) in a high yield and purity under mild… read more here.
Keywords: adduct; oxygen bridged; anticancer activity; structure ... See more keywords
Hypochlorite fluorescence sensing by phenylboronic acid-alizarin adduct based carbon dots.
Sign Up to like & getrecommendations! Published in 2020 at "Talanta"
DOI: 10.1016/j.talanta.2019.120447
Abstract: The selective fluorescence sensing of hypochlorite (ClO-) was achieved at pH 7.4 by a simple analytical procedure through the fluorescence quenching of autoclave synthesized carbon dots (CDs), which used as precursor an adduct formed between… read more here.
Keywords: fluorescence; adduct; carbon dots; fluorescence sensing ... See more keywords
Identification of an adduct impurity of an active pharmaceutical ingredient and a leachable in an ophthalmic drug product using LC-QTOF.
Sign Up to like & getrecommendations! Published in 2019 at "Journal of pharmaceutical sciences"
DOI: 10.1016/j.xphs.2019.06.009
Abstract: Impurity investigations are important in pharmaceutical development to ensure drug purity and safety for the patient. The impurities typically found in drug products are degradants or reaction products of the active pharmaceutical ingredient (API), or… read more here.
Keywords: adduct; mass; active pharmaceutical; pharmaceutical ingredient ... See more keywords
DNA Sequence Modulates the Efficiency of NEIL1-Catalyzed Excision of the Aflatoxin B1-Induced Formamidopyrimidine Guanine Adduct.
Sign Up to like & getrecommendations! Published in 2021 at "Chemical research in toxicology"
DOI: 10.1021/acs.chemrestox.0c00517
Abstract: Dietary exposure to aflatoxins is a significant risk factor in the development of hepatocellular carcinomas. Following bioactivation by microsomal P450s, the reaction of aflatoxin B1 (AFB1) with guanine (Gua) in DNA leads to the formation… read more here.
Keywords: dna; adduct; afb1 fapygua; excision ... See more keywords
Targeted and Untargeted Detection of DNA Adducts of Aromatic Amine Carcinogens in Human Bladder by Ultra-Performance Liquid Chromatography-High-Resolution Mass Spectrometry.
Sign Up to like & getrecommendations! Published in 2018 at "Chemical research in toxicology"
DOI: 10.1021/acs.chemrestox.8b00268
Abstract: Epidemiological studies have linked aromatic amines (AAs) from tobacco smoke and some occupational exposures with bladder cancer risk. Several epidemiological studies have also reported a plausible role for structurally related heterocyclic aromatic amines present in… read more here.
Keywords: human bladder; adduct; bladder; tobacco smoke ... See more keywords
Glutathione Adduct Patterns of Michael-Acceptor Carbonyls.
Sign Up to like & getrecommendations! Published in 2017 at "Environmental science & technology"
DOI: 10.1021/acs.est.6b04981
Abstract: Glutathione (GSH) has so far been considered to facilitate detoxification of soft organic electrophiles through covalent binding at its cysteine (Cys) thiol group, followed by stepwise catalyzed degradation and eventual elimination along the mercapturic acid… read more here.
Keywords: acceptor carbonyls; adduct; michael acceptor; acceptor ... See more keywords