Abstract
Omega-3 poly unsaturated fatty acids (PUFA) particularly eicosapentaenoic acid (EPA), and docosahexaenoic acid (DHA), have many health benefits including reducing the risk of cancer and cardiovascular disease. Recently, the use of ionic liquids (ILs) in lipid extraction from microalgae provides the potential to overcome common drawbacks, offers several other benefits. To date, very limited researches are available to focus on extracting microalgae lipid and PUFA in particular by using ILs. The objective of current work is to screen the potential ILs that can be applied in EPA extraction. In this study, fast ILs screening was performed with the help of a conductor like screening model for real solvents (COSMO-RS) and the ILs with higher capacity values for use in extraction of EPA were compared. According to the results, the highest capacity for EPA extraction among 352 screened cation/anion combinations belongs to [TMAm][SO4]. It is expected to achieve a higher yield of EPA once applying this combination as the solvent in the process of extraction. ILs with small anions were observed to have higher capacities, as well possessing higher charge density compared to larger ones, and therefore, they are more preferable for extraction purposes. Moreover, shorter alkyl chain cations are preferred when using imidazolium-based IL, which agrees with experimental data.
Highlights
Health benefits provided by omega-3 polyunsaturated fatty acids (PUFAs), including eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA) in particular are noteworthy to the society as it reduces the risk of cancer, autoimmune, cardiovascular disease, inflammatory disorders, cystic fibrosis, disrupted neurological function, bowel disease, and mental illness [1,2,3,4,5,6]
Net surface charge of EPA is calculated in terms of Sigma profile (σ-profile), which is related to the charge density profiles of molecular surface and Sigma potential (σ-potential) in order to clear its chemical nature
The best approach to investigate the molecular similarity is through comparing the electron density or electrostatic potential that is created by molecules, considering all space within the van der Waals surfaces of the molecules or within all regions outside the molecular cores [35]
Summary
Health benefits provided by omega-3 polyunsaturated fatty acids (PUFAs), including eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA) in particular are noteworthy to the society as it reduces the risk of cancer, autoimmune, cardiovascular disease, inflammatory disorders, cystic fibrosis, disrupted neurological function, bowel disease, and mental illness [1,2,3,4,5,6]. According to Shahidi and Ambigaipalan human bodies requires the supplementary sources of EPA and DHA as they are vulnerable to shortages of necessary. Molecules 2019, 24, 713 enzymes to place a double bond at the omega-3 position and are unable to synthesize them to a sufficient extent [9]. Those are one of the two classes of essential fatty acids that have such characteristics and must be taken from diet and supplements. The external source of omega-3 PUFA is necessary
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