title: Elemental step thermodynamics of various analogues of indazolium alkaloids to obtaining hydride in acetonitrile.
abstract: A series of analogues of indazolium alkaloids were designed and synthesized. The thermodynamic driving forces of the 6 elemental steps for the analogues of indazolium alkaloids to obtain hydride in acetonitrile were determined using an isothermal titration calorimeter (ITC) and electrochemical methods, respectively. The effects of molecular structure and substituents on the thermodynamic driving forces of the 6 steps were examined. Meanwhile, the oxidation mechanism of NADH coenzyme by indazolium alkaloids was examined using the chemical mimic method. The result shows that the oxidation of NADH coenzyme by indazolium alkaloids in vivo takes place by one-step concerted hydride transfer mechanism.
authors.affiliation: The State Key Laboratory of Elemento-Organic Chemistry, Department of Chemistry, Collaborative Innovation Center of Chemical Science and Engineering, Nankai University, Tianjin 300071, China. leinp@mail.nankai.edu.cn xqzhu@nankai.edu.cn.
authors.forename: Nan-Ping
authors.initials: NP
authors.lastname: Lei
authors.forename: Yan-Hua
authors.initials: YH
authors.lastname: Fu
authors.forename: Xiao-Qing
authors.initials: XQ
authors.lastname: Zhu
mesh_terms: D000097:Acetonitriles / Q000737:chemistry*; D000470:Alkaloids / Q000138:chemical synthesis* / Q000737:chemistry; D004583:Electrons; D005609:Free Radicals / Q000138:chemical synthesis / Q000737:chemistry; D007191:Indazoles / Q000138:chemical synthesis* / Q000737:chemistry; D009243:NAD / Q000737:chemistry; D010084:Oxidation-Reduction; D011522:Protons; D013816:Thermodynamics
chemical_list: D000097:Acetonitriles; D000470:Alkaloids; D005609:Free Radicals; D007191:Indazoles; D011522:Protons; D009243:NAD; C032159:acetonitrile