title: Computational Study of the Cation-Modified GSH Peptide Interactions With Perovskite-Type BFO-(111) Membranes Under Aqueous Conditions.
abstract: We elucidated a number of facets regarding glutathione (GSH)-bismuth ferrite (BiFeO3, BFO) interactions and reactivity that have previously remained unexplored on a molecular level. In this approach, the cation-modified reduced GSH (or oxidised glutathione (GS·)) formed on the (111)-oriented BiFeO3 membrane (namely BFO-(111)) can serve as an efficient quencher, and the luminescence mechanism is explained in aqueous conditions. Notably, we suggest the use of Fe(2+)↓ ion as an electron donor and K(+) ion as an electron acceptor to exert a "gluing" effect on the glutamic acid (Glu) and glycine (Gly) side chains, producing an exposed sulfhydryl (-SH) configuration. This method may enable the rational design of a convenient platform for biosensors.
authors.affiliation: Key Laboratory of Functional Materials and Devices for Special Environments, Chinese Academy of Sciences, Urumqi, 830011, Xinjiang, China, bianliang555551@126.com.
authors.forename: Liang
authors.initials: L
authors.lastname: Bian
authors.forename: Fa-Qin
authors.initials: FQ
authors.lastname: Dong
authors.forename: Mian-Xin
authors.initials: MX
authors.lastname: Song
authors.forename: Jin-Bao
authors.initials: JB
authors.lastname: Xu
authors.forename: Xiao-Yan
authors.initials: XY
authors.lastname: Zhang