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COSMO-RS Based Prediction for Alpha-Linolenic Acid (ALA) Extraction from Microalgae Biomass Using Room Temperature Ionic Liquids (RTILs)

1
Department of Chemical and Environmental Engineering, Faculty of Engineering, University Putra Malaysia, 43400 UPM, Serdang, Selangor, Malaysia
2
International Institute for Halal Research and Training (INHART), International Islamic University Malaysia, Gombak, 50728 Kuala Lumpur, Malaysia
*
Author to whom correspondence should be addressed.
Mar. Drugs 2020, 18(2), 108; https://doi.org/10.3390/md18020108
Received: 12 September 2019 / Revised: 16 November 2019 / Accepted: 26 November 2019 / Published: 12 February 2020
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. View Full-Text
Keywords: ionic liquids; COSMO-RS; ALA extraction; solid-liquid extraction; tetramethyl ammonium; Omega-3 PUFAs; capacity at infinite dilution ionic liquids; COSMO-RS; ALA extraction; solid-liquid extraction; tetramethyl ammonium; Omega-3 PUFAs; capacity at infinite dilution
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Rezaei Motlagh, S.; Harun, R.; Awang Biak, D.R.; Hussain, S.A.; Omar, R.; Elgharbawy, A.A. COSMO-RS Based Prediction for Alpha-Linolenic Acid (ALA) Extraction from Microalgae Biomass Using Room Temperature Ionic Liquids (RTILs). Mar. Drugs 2020, 18, 108.

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