Our group primarily works in the area of computational and quantum chemistry. We eagerly work towards new developments in application of computational tools/protocols in organic/bio-organic, inorganic, and physical chemistry. As an auxiliary area, we are also interested in scientific pedagogy.
Category: Chemistry
Biomimetic Systems and Bioinorganic Chemistry group (Pankaj Kumar Koli)
Our group mainly focus on biomimetic systems and small molecule activation (O2, NO, CO, CO, and H2S, etc.) in the field of bioinorganic chemistry. In addition, we also focus on bio-sensing, catalysis and insight into the mechanistic pathways of various enzymatic reactions.
Catalysis and Synthesis Group (Gopinath Purushothaman)
Our primary research focus is to develop new synthetic methods using catalysis as the main tool with special focus on visible light photoredox catalysis, transition metal catalysis & asymmetric catalysis. These synthetic methods will later be used for applications in total synthesis of natural products, drugs & other bioactive compounds.
Electrochemistry of Materials (Prof. Vijayamohanan Pillay)
I work on a variety of problems at the interface between Electrochemistry and Materials Chemistry, sometimes using electric filed to make unusual, two-dimensional materials like graphene and phosphorene quantum dots while in some other cases to make hybrid materials for applications ranging from more efficient electrocatalysts for energy storage (e.g.,fuel cells and batteries) to self-assembled… Continue reading Electrochemistry of Materials (Prof. Vijayamohanan Pillay)
Prolyl Polypeptides and Peptide Nucleic Acids (Prof K N Ganesh)
Our group is interested in the studying correlation of structure with self-assembling properties of 4(R/S)-(OH/NH2)-substituted prolyl polypeptides and collagen mimetics. Another area of interest is to enhance cell permeability Peptide Nucleic Acid (PNA) through cationic and fluorinated analogues towards potential application as antisense therapeutic agents and modulate their molecular recognition features through novel Janus PNA… Continue reading Prolyl Polypeptides and Peptide Nucleic Acids (Prof K N Ganesh)
Mass Spectrometry symposium at IISER Tirupati
Mass Spectrometry symposium at IISER Tirupati
Mfn2-mediated mitochondrial fusion promotes autophagy and suppresses ovarian cancer progression by reducing ROS through AMPK/mTOR/ERK signaling
Ashraf, R., & Kumar, S. (2022). Mfn2-mediated mitochondrial fusion promotes autophagy and suppresses ovarian cancer progression by reducing ROS through AMPK/mTOR/ERK signaling. Cellular and Molecular Life Sciences, 79(11). DOI: 10.1007/s00018-022-04595-6
Why intermolecular Nitric Oxide (NO) transfer? Exploring the factors and mechanistic aspects of NO transfer reaction
Das, S., Kulbir, K., Ray, S., … Mondal, P., & Kumar, P. (2022). Why intermolecular Nitric Oxide (NO) transfer? Exploring the factors and mechanistic aspects of NO transfer reaction. Chemical Science, 13(6), 1706-1714. DOI: 10.1039/D1SC06803B
Machine learning product state distributions from initial reactant states for a reactive atom-diatom collision system
Arnold, J., Veliz, J. C. S. V., Koner, D. et al. (2022). Machine learning product state distributions from initial reactant states for a reactive atom-diatom collision system. Journal of Chemical Physics, 156(3). DOI: 10.1063/5.0078008
Photodissociation dynamics of N3+
Patra, S., Veliz, J. C. S. V., Koner, D. et al. (2022). Photodissociation dynamics of N3+. Journal of Chemical Physics, 156(12). DOI: 10.1063/5.0085081