Ankit Gautam contributed to a collaborative project led by Jemin Jeon and Yuri Giovane Kappenberg from Prof Xiao Su’s group, to reveal how strategically placed functional groups enhance redox-mediated enantioselectivity. Ankit executed DFT calculations to uncover the atomistic origins of the cooperative/antagonistic contributions to complexation. This work also studied the crucial non-covalent interactions that guide these separations in great detail.

Check out this paper at https://doi.org/10.1021/jacs.5c01571