Research Projects

Natural deep eutectic solvents (NADES) are increasingly popular due to their low toxicity, cost-effectiveness, environmental friendliness, biodegradability, and volatility compared to conventional solvents. NADES media primarily depends on intermolecular interactions among their components, consisting of salts and organic compounds. They are used as extraction solvents when mixed with primary metabolites like amino acids, sugar alcohol, and organic acid. The study of molecular properties is crucial for the application of NADES in various fields. Polyhydroxy secondary metabolites, such as flavonoids and terpenoids, have been reported as natural colouring agents, surfactants, and natural preservatives in food, pharmaceutical, and cosmetic industries. These metabolites can behave as HBD and HBA and can be a composition of NADES. Secondary metabolites have antimicrobial and antioxidant properties and are essential for therapeutic purposes. To study the stability and molecular parameters of new NADES solvents, detailed studies of liquid mixtures are needed. Vibrational spectroscopy, Raman and Infrared Spectroscopic techniques, and UV-visible spectrometry can be used to quickly identify molecular structures and their interacting environment. NMR spectroscopy can also be used to assist findings. Computational methods like DFT, M062X, IEFPCM, and AIM provide insights into chemical and molecular properties and molecular fingerprint spectra, helping researchers and industries understand solvents applicable in different materials and biomaterials.