Abstract
One of the essential fatty acids with therapeutic impacts on human health is known to be omega-3 polyunsaturated fatty acids (PUFA). More lately, ionic liquids (ILs) have received significant attention among scientists in overcoming the disadvantages of traditional solvents in biomass lipid extraction. However, the large pool of cations and anions possibly accessible will lead to a growing number of innovatively synthesized ILs. Nevertheless, the exhaustive measurement of all these systems is economically impractical. The conductive screening model for real solvents (COSMO-RS) is considered a precious approach with the availability of a few models to predict the characteristics of ILs. This work introduces the estimate of capacity values at infinite dilution for a range of ILs using COSMO-RS software as part of solid-liquid extraction. This favorable outcome presented that the capacity values of the IL molecules are extremely dependent on both anions and cations. Among the 352 combinations of cation/anion tested, short alkyl chain cations coupled with inorganic anions were found to be most efficient and therefore superior in the extraction method. Sulphate-, chloride-, and bromide-based ILs were found to have higher extraction capacities in contrast with the remainders, while propanoate revealed an extraordinary capacity when combined with ethyl-based cations. Eventually, the predicted results from COSMO-RS were validated through the experimentally calculated extraction yield of alpha-linolenic acid (ALA) compound from Nannochloropsis sp. microalgae. Three selected ILs namely [EMIM][Cl], [TMAm][Cl], and [EMPyrro][Br] were selected from COSMO-RS for empirical extraction purpose and the validation results pinpointed the good prediction capability of COSMO-RS.
Highlights
Lifestyle-related diseases are complex, where the precise underlying mechanisms are yet to be fully understood [1].There is growing proof, that particular omega-3 polyunsaturated fatty acids (PUFA) have positive impacts on human health and may contribute to the prevention of many such chronic diseases in humans [2]
The sigma surface coupled with the sigma profile and the sigma potential are shown in Figures 3 and 4
The key terms related to the qualitative description of the alpha-linolenic acid (ALA) molecules can be envisioned with the usage of COSMO-RS 3D
Summary
There is growing proof, that particular omega-3 PUFAs have positive impacts on human health and may contribute to the prevention of many such chronic diseases in humans [2]. Omega-3 PUFAs are categorized as alpha-linolenic acid (ALA), eicosapentaenoic acid (EPA), and docosahexaenoic acid (DHA). It has revealed positive neuroprotective, anti-inflammatory, and antidepressant effects, and useful for renal issues [4]
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