COSMO-RS based prediction for aalpha-linolenic acid (ALA) extraction from microalgae biomass using room temperature ionic liquids (RTILs)

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 extra...

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Main Authors:	Motlagh, Shiva Rezaei, Harun, Razif, Awang Biak, Dayang Radiah, Hussain, Siti Aslina, Omar, Rozita, Elgharbawy, Amal A.M.
Format:	Article
Language:	English
Published:	MDPI 2020
Subjects:	TP155 Chemical engineering TP248.13 Biotechnology
Online Access:	http://irep.iium.edu.my/79031/ http://irep.iium.edu.my/79031/ http://irep.iium.edu.my/79031/1/marinedrugs-18-00108%20%282%29.pdf

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spelling	iium-790312020-03-16T03:16:52Z http://irep.iium.edu.my/79031/ COSMO-RS based prediction for aalpha-linolenic acid (ALA) extraction from microalgae biomass using room temperature ionic liquids (RTILs) Motlagh, Shiva Rezaei Harun, Razif Awang Biak, Dayang Radiah Hussain, Siti Aslina Omar, Rozita Elgharbawy, Amal A.M. TP155 Chemical engineering TP248.13 Biotechnology 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. MDPI 2020 Article PeerReviewed application/pdf en http://irep.iium.edu.my/79031/1/marinedrugs-18-00108%20%282%29.pdf Motlagh, Shiva Rezaei and Harun, Razif and Awang Biak, Dayang Radiah and Hussain, Siti Aslina and Omar, Rozita and Elgharbawy, Amal A.M. (2020) COSMO-RS based prediction for aalpha-linolenic acid (ALA) extraction from microalgae biomass using room temperature ionic liquids (RTILs). Marine Drugs, 18 (2). pp. 1-24. ISSN 1660-3397 https://www.mdpi.com/1660-3397/18/2/108
repository_type	Digital Repository
institution_category	Local University
institution	International Islamic University Malaysia
building	IIUM Repository
collection	Online Access
language	English
topic	TP155 Chemical engineering TP248.13 Biotechnology
spellingShingle	TP155 Chemical engineering TP248.13 Biotechnology Motlagh, Shiva Rezaei Harun, Razif Awang Biak, Dayang Radiah Hussain, Siti Aslina Omar, Rozita Elgharbawy, Amal A.M. COSMO-RS based prediction for aalpha-linolenic acid (ALA) extraction from microalgae biomass using room temperature ionic liquids (RTILs)
description	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.
format	Article
author	Motlagh, Shiva Rezaei Harun, Razif Awang Biak, Dayang Radiah Hussain, Siti Aslina Omar, Rozita Elgharbawy, Amal A.M.
author_facet	Motlagh, Shiva Rezaei Harun, Razif Awang Biak, Dayang Radiah Hussain, Siti Aslina Omar, Rozita Elgharbawy, Amal A.M.
author_sort	Motlagh, Shiva Rezaei
title	COSMO-RS based prediction for aalpha-linolenic acid (ALA) extraction from microalgae biomass using room temperature ionic liquids (RTILs)
title_short	COSMO-RS based prediction for aalpha-linolenic acid (ALA) extraction from microalgae biomass using room temperature ionic liquids (RTILs)
title_full	COSMO-RS based prediction for aalpha-linolenic acid (ALA) extraction from microalgae biomass using room temperature ionic liquids (RTILs)
title_fullStr	COSMO-RS based prediction for aalpha-linolenic acid (ALA) extraction from microalgae biomass using room temperature ionic liquids (RTILs)
title_full_unstemmed	COSMO-RS based prediction for aalpha-linolenic acid (ALA) extraction from microalgae biomass using room temperature ionic liquids (RTILs)
title_sort	cosmo-rs based prediction for aalpha-linolenic acid (ala) extraction from microalgae biomass using room temperature ionic liquids (rtils)
publisher	MDPI
publishDate	2020
url	http://irep.iium.edu.my/79031/ http://irep.iium.edu.my/79031/ http://irep.iium.edu.my/79031/1/marinedrugs-18-00108%20%282%29.pdf
first_indexed	2023-09-18T21:51:12Z
last_indexed	2023-09-18T21:51:12Z
_version_	1777413780710359040

COSMO-RS based prediction for aalpha-linolenic acid (ALA) extraction from microalgae biomass using room temperature ionic liquids (RTILs)

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