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Bagchi Group Publications

  1. Solvation structure and dynamics of a small ion in an organic electrolyte, J. Photochem. Photobiol. A 2023, 440, 114666

  2. Does variation in composition affect dynamics when approaching the eutectic composition?, J. Chem. Phys. 2023, 158, 114203

  3. Elucidation of pH-Induced Protein Structural Changes: A Combined 2D IR and Computational Approach, Biochemistry 2023, 2, 451-461

  4. Blue Fluorescence of Cyano-tryptophan Predicts Local Electrostatics and Hydrogen Bonding in Biomolecules, J. Phys. Chem. B. 2022, 126, 10732-10740

  5. Does Viscosity Drive the Dynamics in an Alcohol-Based Deep Eutectic Solvent?, J. Phys. Chem. B. 2022, 126, 8331-8337

  6. Water-Controlled Keto–Enol Tautomerization of a Prebiotic Nucleobase, J. Phys. Chem. B. 2022, 126, 5735-5743

  7. On–Off Infrared Absorption of the S═O Vibrational Probe of Dimethyl Sulfoxide, J. Phys. Chem. B. 2022, 126, 4501-4508

  8. Ligand Dynamics Time Scales Identify the Surface–Ligand Interactions in Thiocyanate-Capped Cadmium Sulfide Nanocrystals, J. Phys. Chem. Lett. 2022, 13, 3059-3065

  9. Predicting the Redox Potentials of Phenazine Derivatives Using DFT-Assisted Machine Learning, ACS Omega, 2022, 14, 11742-11755

  10. Association-Dissociation Dynamics of Ionic Electrolytes in Low Dielectric medium. J. Phys. Chem. B. 2022, 01, 239-248

  11. Transition of a Deep Eutectic Solution to Aqueous Solution: A Dynamical Perspective of the Dissolved Solute. J. Phys. Chem. Lett. 2021, 12, 36, 8784–8789

  12. Two Dimensional Infrared Spectroscopy: A Structure Sensitive Technique with Ultrafast Time Resolution.

  13. The Curious Case of Aqueous Warfarin: Structural Isomers or Distinct Excited States?

  14. Electrostatic Manifestation of Micro-Heterogeneous Solvation Structures in Deep-Eutectic Solvents: A Spectroscopic Approach

  15. Variations in activity of Ru/TiO2 and Ru/Al2O3 catalysts for CO2 hydrogenation: An investigation by in-situ infrared spectroscopy studies.

  16. Hydrocarbon Chain-Length Dependence of Solvation Dynamics in Alcohol-Based Deep Eutectic Solvents: A Two-Dimensional Infrared Spectroscopic Investigation.

  17. Arresting an Unusual Amide Tautomer Using Divalent Cations.

  18. Interconverting Hydrogen-Bonding and Weak n → π* Interactions in Aqueous Solution: A Direct Spectroscopic  Evidence.

  19. Two-Dimensional Infrared Spectroscopy Reveals Cosolvent-Composition-Dependent Crossover in Intermolecular Hydrogen-Bond Dynamics.

  20. Stretching IR spectroscopy to an extra dimension enables experimental visualization of ultrafast chemical exchange processes.

  21. Pick and Choose the Spectroscopic Method to Calibrate the Local Electric Field inside Proteins.

  22. Correlating Nitrile IR Frequencies to Local Electrostatics Quantifies Noncovalent Interactions of Peptides and Proteins.

  23. Electrostatic Interactions Are Key to C=O n-π* Shifts: An Experimental Proof.

  24. Cosolvent Effects on Solute? Solvent Hydrogen-Bond Dynamics: Ultrafast 2D IR Investigations.

  25. Measuring equilibrium ultrafast structural and conformational dynamics in bio-molecules: A two dimensional infrared (2D-IR) spectroscopic approach.

  26. Experimental determination of the Electrostatic Nature of Carbonyl Hydrogen-Bonding Interactions Using IR-NMR Correlations.

  27. The non-uniform early structural response of globular proteins to cold denaturing conditions: A case study with Yfh1.

  28. Simultaneous observation of multiple ultrafast dynamic processes for a dicarbonyl compound by two-dimensional infrared spectroscopy.

  29. Measuring Electrostatic Fields in Both Hydrogen-Bonding and Non-Hydrogen-Bonding Environments Using Carbonyl Vibrational Probes.

  30. A Solvatochromic Model Calibrates Nitriles’ Vibrational Frequencies to Electrostatic Fields.

  31. Ribonuclease S Dynamics Measured Using a Nitrile Label with 2D IR Vibrational Echo Spectroscopy.

  32. Dynamics of a Myoglobin Mutant Enzyme: 2D IR Vibrational Echo Experiments and Simulations.

  33. Conformational Switching between Protein Substates Studied with 2D IR Vibrational Echo Spectroscopy and Molecular Dynamics Simulations.

  34. 2D-IR Experiments and Simulations of the Coupling between Amide-I and Ionizable Side Chains in Proteins: Application to the Villin Headpiece.

  35. Equilibrium Exchange Processes of the Aqueous Tryptophan Dipeptide.

  36. Buckled Nano Rod - A Two State System and Its Dynamics.

  37. Two-Dimensional Infrared Investigation of N-Acetyl Tryptophan Methyl Amide in Solution.

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