Assessment of CPME as Sustainable Low VOC Alternative to Hexane: Optimization of Extraction Efficiency and Bioactive Compound Yield from Fenugreek Seed Oil Using Computational and Experimental Methods

This study investigates the performance of cyclopentyl methyl ether (CPME) in the extraction of fenugreek seed oil, aiming to replace the conventionally used hexane. The efficiency of this alternative solvent was evaluated first through in silico methods (based on Hansen Solubility Parameters (HSPs)...

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Main Authors: Ameni Ben Abdennebi, Emna Chaabani, Mariem Ben Jemaa, Majdi Hammami, Saber Khammassi, Salma Nait Mohamed, Wissem Aidi Wannes, Ibtissem Hamrouni Sellami, Anne-Sylvie Fabiano Tixier, Iness Bettaieb Rebey
Format: Article
Language:English
Published: MDPI AG 2024-12-01
Series:Foods
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Online Access:https://www.mdpi.com/2304-8158/13/23/3899
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author Ameni Ben Abdennebi
Emna Chaabani
Mariem Ben Jemaa
Majdi Hammami
Saber Khammassi
Salma Nait Mohamed
Wissem Aidi Wannes
Ibtissem Hamrouni Sellami
Anne-Sylvie Fabiano Tixier
Iness Bettaieb Rebey
author_facet Ameni Ben Abdennebi
Emna Chaabani
Mariem Ben Jemaa
Majdi Hammami
Saber Khammassi
Salma Nait Mohamed
Wissem Aidi Wannes
Ibtissem Hamrouni Sellami
Anne-Sylvie Fabiano Tixier
Iness Bettaieb Rebey
author_sort Ameni Ben Abdennebi
collection DOAJ
description This study investigates the performance of cyclopentyl methyl ether (CPME) in the extraction of fenugreek seed oil, aiming to replace the conventionally used hexane. The efficiency of this alternative solvent was evaluated first through in silico methods (based on Hansen Solubility Parameters (HSPs) and Conductor-like Screening Model for Real Solvent (COSMO-RS) simulations), followed by experimental studies. Solubility computational predictions analysis revealed that CPME exhibits superior solvation power compared to hexane. Experimentally, CPME demonstrated a significantly higher oil yield (7.23%) compared to hexane (4.25%) and a better retention of beneficial unsaturated fatty acids than hexane. Additionally, the physicochemical properties of oils extracted with CPME showed enhanced oxidative stability, sterol, tocopherol, and phenolic contents, leading to superior antioxidant and antibacterial activities. Importantly, CPME’s low volatile organic compound (VOC) emissions further establish it as a more sustainable and environmentally friendly alternative to hexane, aligning with contemporary goals of reducing harmful emissions in extraction processes. Thus, this paper highlights the functional advantages of CPME, focusing on its efficiency, selectivity, and enhanced retention of bioactive compounds, positioning it as a superior extraction solvent for fenugreek seed oil compared to hexane.
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issn 2304-8158
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publishDate 2024-12-01
publisher MDPI AG
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series Foods
spelling doaj-art-b5c26d376b1c4875bccbcd7ee7ae61622024-12-13T16:26:57ZengMDPI AGFoods2304-81582024-12-011323389910.3390/foods13233899Assessment of CPME as Sustainable Low VOC Alternative to Hexane: Optimization of Extraction Efficiency and Bioactive Compound Yield from Fenugreek Seed Oil Using Computational and Experimental MethodsAmeni Ben Abdennebi0Emna Chaabani1Mariem Ben Jemaa2Majdi Hammami3Saber Khammassi4Salma Nait Mohamed5Wissem Aidi Wannes6Ibtissem Hamrouni Sellami7Anne-Sylvie Fabiano Tixier8Iness Bettaieb Rebey9Laboratory of Aromatic and Medicinal Plants, Borj Cedria Biotechnology Center, BP 901, Hammam-Lif 2050, TunisiaLaboratory of Aromatic and Medicinal Plants, Borj Cedria Biotechnology Center, BP 901, Hammam-Lif 2050, TunisiaLaboratory of Aromatic and Medicinal Plants, Borj Cedria Biotechnology Center, BP 901, Hammam-Lif 2050, TunisiaLaboratory of Aromatic and Medicinal Plants, Borj Cedria Biotechnology Center, BP 901, Hammam-Lif 2050, TunisiaLaboratory of Aromatic and Medicinal Plants, Borj Cedria Biotechnology Center, BP 901, Hammam-Lif 2050, TunisiaLaboratory of Olive Biotechnology, Borj Cedria Biotechnology Center, BP 901, Hammam-Lif 2050, TunisiaLaboratory of Aromatic and Medicinal Plants, Borj Cedria Biotechnology Center, BP 901, Hammam-Lif 2050, TunisiaLaboratory of Aromatic and Medicinal Plants, Borj Cedria Biotechnology Center, BP 901, Hammam-Lif 2050, TunisiaAvignon Université, INRAE, UMR SQPOV, F-84000 Avignon, FranceLaboratory of Aromatic and Medicinal Plants, Borj Cedria Biotechnology Center, BP 901, Hammam-Lif 2050, TunisiaThis study investigates the performance of cyclopentyl methyl ether (CPME) in the extraction of fenugreek seed oil, aiming to replace the conventionally used hexane. The efficiency of this alternative solvent was evaluated first through in silico methods (based on Hansen Solubility Parameters (HSPs) and Conductor-like Screening Model for Real Solvent (COSMO-RS) simulations), followed by experimental studies. Solubility computational predictions analysis revealed that CPME exhibits superior solvation power compared to hexane. Experimentally, CPME demonstrated a significantly higher oil yield (7.23%) compared to hexane (4.25%) and a better retention of beneficial unsaturated fatty acids than hexane. Additionally, the physicochemical properties of oils extracted with CPME showed enhanced oxidative stability, sterol, tocopherol, and phenolic contents, leading to superior antioxidant and antibacterial activities. Importantly, CPME’s low volatile organic compound (VOC) emissions further establish it as a more sustainable and environmentally friendly alternative to hexane, aligning with contemporary goals of reducing harmful emissions in extraction processes. Thus, this paper highlights the functional advantages of CPME, focusing on its efficiency, selectivity, and enhanced retention of bioactive compounds, positioning it as a superior extraction solvent for fenugreek seed oil compared to hexane.https://www.mdpi.com/2304-8158/13/23/3899fenugreekgreen solventoilsfatty acidssterolstocopherols
spellingShingle Ameni Ben Abdennebi
Emna Chaabani
Mariem Ben Jemaa
Majdi Hammami
Saber Khammassi
Salma Nait Mohamed
Wissem Aidi Wannes
Ibtissem Hamrouni Sellami
Anne-Sylvie Fabiano Tixier
Iness Bettaieb Rebey
Assessment of CPME as Sustainable Low VOC Alternative to Hexane: Optimization of Extraction Efficiency and Bioactive Compound Yield from Fenugreek Seed Oil Using Computational and Experimental Methods
Foods
fenugreek
green solvent
oils
fatty acids
sterols
tocopherols
title Assessment of CPME as Sustainable Low VOC Alternative to Hexane: Optimization of Extraction Efficiency and Bioactive Compound Yield from Fenugreek Seed Oil Using Computational and Experimental Methods
title_full Assessment of CPME as Sustainable Low VOC Alternative to Hexane: Optimization of Extraction Efficiency and Bioactive Compound Yield from Fenugreek Seed Oil Using Computational and Experimental Methods
title_fullStr Assessment of CPME as Sustainable Low VOC Alternative to Hexane: Optimization of Extraction Efficiency and Bioactive Compound Yield from Fenugreek Seed Oil Using Computational and Experimental Methods
title_full_unstemmed Assessment of CPME as Sustainable Low VOC Alternative to Hexane: Optimization of Extraction Efficiency and Bioactive Compound Yield from Fenugreek Seed Oil Using Computational and Experimental Methods
title_short Assessment of CPME as Sustainable Low VOC Alternative to Hexane: Optimization of Extraction Efficiency and Bioactive Compound Yield from Fenugreek Seed Oil Using Computational and Experimental Methods
title_sort assessment of cpme as sustainable low voc alternative to hexane optimization of extraction efficiency and bioactive compound yield from fenugreek seed oil using computational and experimental methods
topic fenugreek
green solvent
oils
fatty acids
sterols
tocopherols
url https://www.mdpi.com/2304-8158/13/23/3899
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