eprintid: 11770 rev_number: 2 eprint_status: archive userid: 1 dir: disk0/00/01/17/70 datestamp: 2023-11-10 03:26:18 lastmod: 2023-11-10 03:26:18 status_changed: 2023-11-10 01:16:06 type: article metadata_visibility: show creators_name: Motlagh, S.R. creators_name: Harun, R. creators_name: Biak, D.R.A. creators_name: Hussain, S.A. creators_name: Ghani, W.A.W.A.K. creators_name: Khezri, R. creators_name: Wilfred, C.D. creators_name: Elgharbawy, A.A.M. title: Screening of suitable ionic liquids as green solvents for extraction of eicosapentaenoic acid (EPA) from microalgae biomass using COSMO-RS model ispublished: pub keywords: icosapentaenoic acid; ionic liquid; solvent, algorithm; biomass; chemical model; chemical structure; chemistry; hydrogen bond; isolation and purification; microalga; molecular model, Algorithms; Biomass; Eicosapentaenoic Acid; Hydrogen Bonding; Ionic Liquids; Microalgae; Models, Chemical; Models, Molecular; Molecular Structure; Solvents note: cited By 48 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 TMAmSO4. 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. © 2019 by the authors. date: 2019 publisher: MDPI AG official_url: https://www.scopus.com/inward/record.uri?eid=2-s2.0-85061592115&doi=10.3390%2fmolecules24040713&partnerID=40&md5=f79c5ea397983deec9c019f05eead588 id_number: 10.3390/molecules24040713 full_text_status: none publication: Molecules volume: 24 number: 4 refereed: TRUE issn: 14203049 citation: Motlagh, S.R. and Harun, R. and Biak, D.R.A. and Hussain, S.A. and Ghani, W.A.W.A.K. and Khezri, R. and Wilfred, C.D. and Elgharbawy, A.A.M. (2019) Screening of suitable ionic liquids as green solvents for extraction of eicosapentaenoic acid (EPA) from microalgae biomass using COSMO-RS model. Molecules, 24 (4). ISSN 14203049