Biomimetic Modelling for Catalysis and Inorganic Spectroscopy

The main goal of our research area is to design and develop bioinspired structural and functional model systems mimicking heme and nonheme enzyme active sites (i.e., Cytochrome P450, Hydroxylases/Halogenases, Photosystem II, Nitrogenases, N2-Cycle, etc.). In addition, we are working on small molecule activation like O2, N2, NO, & H2O (H2-generation) using cost-effective 3d-transition metal ions. Our effort is to understand the mechanistic aspects of such small molecule activation process at the metal center by trapping/characterization of reactive intermediates structurally and/or with various spectroscopic techniques (UV-vis, Raman, IR, EPR, ESI/CSI-MS, Mössbauer). Thus, understanding their implications in biological enzymatic reaction processes, we aim to develop enzyme mimetics for efficient industrial applications.

Representative Publications

  • A Chromium(III)-Superoxo Complex as a Three-Electron Oxidant with a Large Tunneling Effect in Multi-Electron Oxidation of NADH Analogs. [Link]
    Tarali Devi, Yong-Min Lee, Jieun Jung, Muniyandi Sankaralingam, Wonwoo Nam and Shunichi Fukuzumi.
    Angew. Chem. Int. Ed. 2017, 56(13), 3510–3515.
  • Remarkable Acid Catalysis in Proton-Coupled Electron-Transfer Reactions of a Chromium(III)- Superoxo Complex. [Link]
    Tarali Devi, Yong-Min Lee, Wonwoo Nam and Shunichi Fukuzumi.
    J. Am. Chem. Soc. 2018, 140(27), 8372–8375.
  • Tuning Electron-Transfer Reactivity of a Chromium (III)-Superoxo Complex Enabled by Calcium Ion and Other Redox-Inactive Metal Ions. [Link]
    Tarali Devi, Yong-Min Lee, Wonwoo Nam and Shunichi Fukuzumi.
    J. Am. Chem. Soc. 2020, 142(1), 365–372.
  • Metal Ion-Coupled Electron-Transfer Reactions of Metal-Oxygen Complexes. [Link]
    Tarali Devi, Yong-Min Lee, Wonwoo Nam and Shunichi Fukuzumi.
    Coord. Chem. Rev. 2020, 410, 213219.
  • Oxygen atom transfer promoted nitrate to nitric oxide transformation: a step-wise reduction of nitrate → nitrite → nitric oxide. [Link]
    Kulbir, Sandip Das, Tarali Devi, Mrigaraj Goswami, Mahesh Yenuganti, Prabhakar Bhardwaj, Somnath Ghosh, Subash Chandra Sahoo and Pankaj Kumar.
    Chem. Sci., 2021, 12(31), 10605-10612.
  • Acid-Induced Nitrite Reduction of Nonheme Iron(II)-Nitrite: Mimicking Biological Fe- NiR Reaction. [Link]
    Kulbir, Sandip Das, Tarali Devi, Somnath Ghosh, Subash Chandra Sahoo, Pankaj Kumar.
    Chem. Sci., 2023, 14(11), 2935-2942.