Towards the development of tailor-made solvents: Investigation of the solvation properties of a series of menthol, thymol and camphor based mixtures via molecular dynamics simulationsŽiberna, Lara (Avtor) Chaumont, Alain (Mentor) Podlipnik, Črtomir (Komentor) Deep eutectic solventsmentholthymolcamphormolecular dynamicsIn this master work we have studied how the solubility of curcumin changes when changing the solvent. We have used three different deep eutectic solvents which were composed of menthol, thymol and camphor. The focus was put on the interactions between the curcumin molecule and each component of the solvent. First, we have studied the structure of curcumin, which exists in two tautomeric forms. Then we proceeded with calculating the RDF, SDF and interaction energy between the molecule and each component of the solvent. All of the calculated results were compared with already existing experimental results. 20222022-11-15 12:14:33Magistrsko delo/naloga142604VisID: 22085COBISS_ID: 138512899sl