What we explore at NISER

Our Research

Our research focuses on understanding the crucial role of noncovalent interactions (NCIs) in controlling the properties and behavior of chemical and biological systems. We investigate a wide range of NCIs, including:

• Hydrogen Bonds involving Sulfur, Selenium, and Carbon: These interactions are essential for many biological processes.

• Carbon Bonding (C-bond): We investigate the unique properties and implications of this unconventional type of bonding.

• Carbohydrogen Bonding (CH-bond): We explore the significance of these weak yet pervasive interactions.

• Halogen Bonding: We study the role of halogen atoms in forming directional interactions.

Research Areas:

We investigate how these NCIs impact a wide range of phenomena, including:

• Molecular Properties: We explore how NCIs influence fundamental molecular properties such as aromaticity, piezoelectricity, and catalytic activity.

• Drug-biomolecule Interactions: We investigate how drugs interact with biological targets at the molecular level, focusing on the role of NCIs in these interactions.

• Enzymatic Catalysis: We understand how NCIs facilitate the action of enzymes, driving crucial biological processes.

• Chiral Recognition: We investigate how NCIs influence the recognition of molecules with different handedness.

• Vibrational Strong Coupling and Polaritonic Chemistry: We explore the impact of strong light-matter interactions on NCI-driven processes.

• Excited State Dynamics: We study how NCIs influence the behavior of molecules when they absorb energy, exploring excited-state processes and photochemical reactions.

• Photodynamic Therapy: We explore the role of NCIs in the design and effectiveness of photodynamic therapies for treating diseases.

• Biomolecule Stability and Storage: We investigate how NCIs contribute to the stability and storage of biomolecules, crucial for their function and preservation.

Research Methods:

To unravel the intricacies of these interactions, we employ a multidisciplinary approach that combines:

• Spectroscopy Techniques:

  • Gas-phase Laser Spectroscopy: Recording mass-selected electronic and vibrational spectroscopy of molecules and molecular clusters in isolated jet-cooled condition.

  • Velocity Map Imaging (VMI): Investigating molecular dynamics with high resolution and precision.

  • Matrix Isolated Vibrational Circular Dichroism (MI-VCD): Investigating the vibrational properties of chiral molecules.

  • Frequency domain THz Spectroscopy: Investigating molecular dynamics and inter-molecular vibrations in the terahertz region.

  • Fluorescence and Transient Absorption Spectroscopy: Investigating excited state dynamics such as PET, FRET etc. at different timescales.

  • Nuclear Magnetic Resonance (NMR) Spectroscopy: Studying the structure and dynamics of molecules in solution in the ground state.

• Computational Methods: Utilizing advanced simulations and modeling techniques, including electronic structure calculations and molecular dynamics simulations, to gain deeper insights into NCI-driven processes.

Education and Outreach:

We are committed to bridging the gap between rural students and cutting-edge research. To this end, we have developed "ViLEG" (Virtual Laboratory Experiments for Graduates; pronounce it as "VILLAGE"). This innovative software provides virtual access to sophisticated instruments such as UV and IR spectrometers, fluorimeters, electrospray ionization mass spectrometers (ESI-MS), and NMR spectrometers etc., enabling students to gain valuable research experience and develop essential skills.