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Raman Characterization of Phenyl-Derivatives: From Primary Amine to Diazonium Salts ArchiMer
Betelu, S; Tijunelyte, I; Boubekeur Lecaque, L; Ignatiadis, I; Schnepf, Ac; Guenin, E; Bouchemal, N; Felidj, N; Rinnert, Emmanuel; Lamy De La Chapelle, M.
The objective of the present work is to use Raman spectroscopy for characterizing, the fate of phenyl-derivatives, from phenyl-amines to aryl-diazonium derivatives (ADD). Four ADD were investigated: (i) benzene diazoniumtetrafluoroborate (DS), (ii) 4-decyl benzene diazoniumtetrafluoroborate (DS-C10H21), (iii) 4-carboxybenzene diazoniumtetrafluoroborate (DS-COOH) and (iv) 4-(aminoethyl) benzene diazoniumtetrafluoroborate (DS-(CH2)2NH2). Raman investigation of the above ADD confirmed the existence of an N≡N bond stretching in the range of 2285-2305 cm-1. Moreover, the strong band related to CH in plane-bending and C-N-stretching modes in the 1073-1080 cm-1 range, is a signature of phenyl derivatives stemming from ADD. Furthermore, we analyzed and discuss the...
Tipo: Text Palavras-chave: Phenyl-amines; Diazonium salts; Synthesis and characterization; Raman; DFT calculations.
Ano: 2017 URL: http://archimer.ifremer.fr/doc/00391/50262/50889.pdf
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Probing the Pharmacological Parameters, Molecular Docking and Quantum Computations of Plant Derived Compounds Exhibiting Strong Inhibitory Potential Against NS5 from Zika Virus BABT
Rasool,Nouman; Jalal,Amir; Amjad,Adnan; Hussain,Waqar.
ABSTRACT Zika virus (ZIKV) is known for microcephaly and neurological disease in humans and the nonstructural proteins of ZIKV play a fundamental role in the viral replication. Among the seven nonstructural proteins, NS5 is the most conserved and largest protein. Two major functional domains of NS5 i.e. methyltransferase (MTase) and RNA-dependent RNA polymerase (RdRp) are imperative for the virus life cycle and survival. The present study explicates the inhibitory action of phytochemicals from medicinal plants against NS5 from ZIKV, leading to the identification of potential inhibitors. The crystal structure of the protein is retrieved from RCSB protein data bank. A total of 2035 phytochemicals from 505 various medicinal plants are analysed for their...
Tipo: Info:eu-repo/semantics/article Palavras-chave: ZIKV-NS5; Phytochemicals; Molecular Docking; DFT calculations.
Ano: 2018 URL: http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1516-89132018000100324
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