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: | , , , , , |
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| Format: | Article |
| Language: | English English |
| Published: |
MDPI
2020
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| Subjects: | |
| Online Access: | http://irep.iium.edu.my/79031/7/79031_COSMO-RS%20based%20prediction%20for%20alpha-linolenic_scopus.pdf http://irep.iium.edu.my/79031/13/79031_COSMO-RS%20based%20prediction%20for%20aalpha-linolenic%20acid%20%28ALA%29%20extraction%20from%20microalgae%20biomass%20using%20room%20temperature%20ionic%20liquids%20%28RTILs%29.pdf http://irep.iium.edu.my/79031/ https://www.mdpi.com/1660-3397/18/2/108 |
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| Summary: | 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. |
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