Pre-post redox electron transfer regioselectivity at the alanine modified nano graphene electrode interface

[Display omitted] •Alanine graphene (ALGR) complex is modeled for electroanalysis applications.•The first report uses the Fukui function to locate electron transfer (ET) sites at ALGR.•Density functional theory concepts were used to identify redox reactive sites on ALGR.•Our results are in agreement with previous experimental interpretations. Alanine (AL) has been used as a electrode modifier to alter the carbon paste interface for sensing applications. Unfortunately, still, electron transfer (ET) properties of AL modified graphene (GR) interface are not known. Density Functional Theory (DFT) based GR interface will help to know the molecular view of interface. In the current article AL modified GR interface modeled using DFT-based frontier molecular orbital (FMO) theory and analytical Fukui functions. At the AL modified GR interface, the N atom of AL acts like an additional electron donor site, and a carboxylic acid, methyl, and amine group act like a reduction center.