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Publication Type : Journal Article
Publisher : International Journal for Computational Biology
Source : International Journal for Computational Biology 2014, 2 (1), 12. https://doi.org/10.34040/IJCB.2.1.2014.12.
Campus : Amritapuri
School : School of Biotechnology
Department : Chemistry
Year : 2014
Abstract : Amminecobalt (III) promoted aerial oxidation of alkyl hydrazines undergoing homolytic alkylation of xanthines selectively at C-8 position. No modeling studies have been done previously on these compounds. An attempt was made to predict the mechanism involved in this spontaneous reaction using molecular modeling. The predictions revealed that homolytic aromatic substitution of alkyl radical exhibits primary isotopic effect. We try to correlate the importance of in silico approaches towards mechanistic studies in such compounds.
Cite this Research Publication : Suravajhala, R.; Varadwaj, P. K. STUDIES ON 8-TERTBUTYL CAFFEINE: AN IN SILICO APPROACH TO MECHANISTIC STUDIES. International Journal for Computational Biology 2014, 2 (1), 12. https://doi.org/10.34040/IJCB.2.1.2014.12.