Assessment of the properties of natural-based chiral deep eutectic solvents for chiral drug separation: insights from molecular dynamics simulation
Parisa Jahanbakhsh-Bonab, Gholamreza Pazuki, Jaber Jahanbin Sardroodi, Seyed Mohsen Dehnavi
Abstract
chirality. The effects of acid type on the density and isothermal compressibility of DESs show the behaviour of DES2 > DES3 > DES1 and DES1 > DES3 > DES2, respectively. Our results provide a better perspective on new chiral DESs at the molecular level for enantioselective processes.
Topics & Concepts
Molecular dynamicsEutectic systemSeparation (statistics)Materials scienceChemical physicsChirality (physics)DrugNanotechnologyChemistryComputational chemistryOrganic chemistryPhysicsComputer scienceChiral symmetryPharmacologyAlloyMedicineQuarkNambu–Jona-Lasinio modelMachine learningQuantum mechanicsIonic liquids properties and applicationsAnalytical Chemistry and ChromatographyCrystallization and Solubility Studies