Article
Chemistry, Physical
Pablo Lopez-Porfiri, Patricia Gorgojo, Maria Gonzalez-Miquel
Summary: The solubility and involved energies of succinic acid and fumaric acid in water and four bio-based solvents were measured. The dissolution phenomena were driven by attractive hydrogen-bonding interactions between the organic acids and the green solvents. The study provides valuable information for the design of sustainable biorefinery downstream processes.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Joaquin Otarola-Sepulveda, Esteban Cea-Klapp, Paulo Aravena, Sebastian Ormazabal-Latorre, Roberto I. Canales, Jose Matias Garrido, Oscar Valerio
Summary: This study compares the solubility predictions of Flory-Huggins based on the Hansen Solubility Parameters (FH-HSP) model with openCOSMO-RS and PC-SAFT, finding good performance in predicting the solubility of thymol and L-menthol but significant deviations for solid solutes in cyclohexanone. For DES solubility predictions compared to experimental data, RMSLD values of FH-HSP, openCOSMO-RS, and PC-SAFT were 0.86, 0.27, and 0.93 respectively. The results suggest that the HSP theory can aid DES screening processes by identifying promising DES-solute pairs.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Engineering, Chemical
Jose Pedro Wojeicchowski, Caroline Marques, Luciana Igarashi-Mafra, Joao A. P. Coutinho, Marcos R. Mafra
Summary: In this study, deep eutectic solvents (DES) based on choline chloride were used to extract phenolics from rosemary leaves, resulting in a compound with good antioxidant and antimicrobial activities. The optimized extract showed high antioxidant activity and significant antimicrobial effects against tested bacteria.
SEPARATION AND PURIFICATION TECHNOLOGY
(2021)
Article
Chemistry, Applied
Sile He, Kyung Ho Row, Weiyang Tang
Summary: Essential oils, as complex mixtures of volatile compounds, play a crucial role in improving product quality in various industries. This study proposes an in situ isolation technique using deep eutectic solvents (DESs) for the removal of impurities in essential oils. The deterpenation performance was predicted using COSMO-RS and DFT methods, and important characteristics of relevant compounds were obtained. Tetrabutylammonium chloride (TBAC) was chosen to extract hydroxy-terpenoids based on theoretical analysis and experimental results, and a re-extraction procedure yielded TBAC and terpenoids with a recovery rate of 81.8-84.4%.
Article
Pharmacology & Pharmacy
Tomasz Jelinski, Dawid Stasiak, Tomasz Kosmalski, Piotr Cysewski
Summary: The solubility of theobromine was investigated experimentally and theoretically, showing that adding water to certain organic solvents or using NADES can increase the solubility. Theoretical frameworks such as COSMO-RS and COSMO-RS-DARE were used to interpret the solubilities and the latter significantly improved the accuracy of solubility computations by considering intermolecular contacts.
Article
Chemistry, Physical
Fadhila Rabhi, Thomas Di Pietro, Fabrice Mutelet, Hocine Sifaoui
Summary: The study evaluated the performance of three hydrophobic carboxylic acid based Deep Eutectic Solvents for the extraction of 1-butanol and acetonitrile from aqueous solutions. It was found that DL-menthol based DESs are suitable for this type of extraction. NRTL and UNIQUAC models provided a good representation of the phase diagrams measured in the study, while COSMO-RS accurately predicted phase diagrams of systems containing DL-menthol based Deep Eutectic Solvents.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Food Science & Technology
Marinela Nutrizio, Nadica Maltar-Strmecki, Farid Chemat, Bozidar Duic, Anet Rezek Jambrak
Summary: The study focused on developing a green extraction method for bioactive compounds from oregano using high-voltage electrical discharge-plasma (HVED). Experimental and theoretical approaches were combined to optimize parameters and confirm the potential of ethanol for solubility of bioactive compounds. The results demonstrated that HVED was an effective green extraction method for oregano, leading to increased yield of bioactive compounds and antioxidant activity.
FOOD ENGINEERING REVIEWS
(2021)
Article
Chemistry, Physical
Ruben Santiago, Blanca Saenz de Miera, Maria Gonzalez-Miquel, Emilio J. Gonzalez, Manuel Rodriguez, Ismael Diaz
Summary: The search for new solvents to improve the solubility of active pharmaceutical ingredients (APIs) in water is important for the development of new formulations. In this study, the use of COSMO-RS as a predictive method to anticipate APIs solubility in natural eutectic solvents (NAESs) was presented. The methodology was validated with a collection of 50 APIs-NAESs systems, and four NAESs were identified as good candidates to improve the solubility of lidocaine and caffeine. The experimental characterization of these NAESs showed varying densities and viscosities, with glycerol-based NAESs being the most viscous. Solubility experiments confirmed the efficacy of COSMO-RS predictions, with betaine: lactic acid and betaine: 1,2-propanediol being good candidates for lidocaine solutions, and proline: lactic acid identified as the best candidate for caffeine solubility.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Denis Uka, Bojana Blagojevic, Oualid Alioui, Abir Boublia, Noureddine Elboughdiri, Yacine Benguerba, Tatjana Juric, Boris M. Popovic
Summary: The goal of this investigation was to determine the solubility of resveratrol in natural deep eutectic solvents (NADES) using experimental and theoretical methods. The results showed that the ChCl:1,2-propanediol system had the highest solubilization potential. The solubility of resveratrol in NADES was found to be directly related to its antioxidant activity, making it a potential functional food ingredient.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Energy & Fuels
Yu Chen, Chong Liu, Jingru Han, Jing Wang, Di Zhao, Ziyang Zhang, Zheng Li, Mingshuai Yang, Qing Zhang, Yuting Guo, Yixuan Zhang
Summary: By using cheap and green deep eutectic solvents (DESs) to dissolve the cathode of spent lithium-ion batteries (LIBs) and employing magnetic adsorbents for pollutant removal, a coupled system with high sustainability and low cost has been achieved. This work provides a novel and efficient strategy for achieving spent LIB recycling and subsequent pollutant removal.
Article
Chemistry, Physical
Mohammed Abobakr Al-Maari, Hanee F. Hizaddin, Adeeb Hayyan, Mohamed Kamel Hadj-Kali
Summary: Deep eutectic solvents (DESs) have been recognized as eco-friendly alternatives to conventional solvents. However, reliable methods for selecting task-specific DESs are limited. Using COSMO-RS, 126 DESs were screened based on their solubility capacity to estimate their potential use as plant seed oil extractants. The results showed that DESs with higher linoleic acid solubility had lower solubility for protein, and the similarity of DESs to both linoleic acid and protein was compared through sigma-profiles. DESs with high linoleic acid solubility could be used as individual solvents, while DESs with high protein solubility could be used as co-solvents with organic solvents.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Applied
Ke Li, Jin Hyun Nam, Seulgi Kang, Yuli Liu, Jeongmi Lee
Summary: This study explores the use of carvone mixtures, natural monoterpenoids, as solvents in extraction processes. These mixtures have low viscosity, reasonable biodegradability, and can be substitutes for polar protic and dipolar aprotic solvents. Carvone mixtures were successfully applied to extract valuable pigments from a red algae known as laver.
Article
Chemistry, Physical
Mingyao Wu, Hongye Cheng, Lifang Chen, Zhiwen Qi
Summary: The separation of terpenoids from terpenes in citrus essential oils is essential for practical applications. This study evaluated the performance of 19 deep eutectic solvents in extractive deterpenation of model CEOs, with promising results from one particular DES TBAC:1,3BD(1:2).
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Biochemistry & Molecular Biology
Tomasz Jelinski, Piotr Cysewski
Summary: Solubility of active pharmaceutical ingredients is crucial for drug processing and formulation. This study investigates the solubility of caffeine in environmentally friendly natural deep eutectic solvents. Optimal ratios of solvents were determined to maximize caffeine solubility at room temperature. Moreover, a method for intermolecular interactions assessment was proposed to accurately calculate solubility values. Results showed a surprising linear trend between fitting parameters and water-ccNADES composition.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Engineering, Chemical
Jianping Li, Christos T. Maravelias, Reid C. Van Lehn
Summary: In this study, a computational framework is proposed to predict the thermodynamic properties of lignocellulose-derived bioproducts through an adaptive conformer selection method combined with COSMO-RS calculations, enabling improved screening of solvent systems for liquid-phase separation.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2022)
Article
Chemistry, Multidisciplinary
Harish Karthikeyan Ravi, Cassandra Breil, Maryline Abert Vian, Farid Chemat, Petras Rimantas Venskutonis
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2018)
Article
Chemistry, Multidisciplinary
Emna Chaabani, Maryline Abert Vian, Romain Bott, Christian Ginies, Catherine Defoort, Riadh Ksouri, Farid Chemat
SEPARATION SCIENCE AND TECHNOLOGY
(2020)
Article
Acoustics
L. Vernes, M. Abert-Vian, M. El Maataoui, Y. Tao, I. Bornard, F. Chemat
ULTRASONICS SONOCHEMISTRY
(2019)
Review
Chemistry, Analytical
Farid Chemat, Maryline Abert-Vian, Anne Sylvie Fabiano-Tixier, Jochen Strube, Lukas Uhlenbrock, Veronika Gunjevic, Giancarlo Cravotto
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2019)
Review
Biochemistry & Molecular Biology
Farid Chemat, Maryline Abert Vian, Harish Karthikeyan Ravi, Boutheina Khadhraoui, Soukaina Hilali, Sandrine Perino, Anne-Sylvie Fabiano Tixier
Article
Green & Sustainable Science & Technology
Harish Karthikeyan Ravi, Maryline Abert Vian, Yang Tao, Antoine Degrou, Jerome Costil, Christophe Trespeuch, Farid Chemat
JOURNAL OF CLEANER PRODUCTION
(2019)
Review
Biochemistry & Molecular Biology
Vincent Rapinel, Ombeline Claux, Maryline Abert-Vian, Christine McAlinden, Mickael Bartier, Norbert Patouillard, Laurence Jacques, Farid Chemat
Review
Engineering, Chemical
Harish Karthikeyan Ravi, Antoine Degrou, Jerome Costil, Christophe Trespeuch, Farid Chemat, Maryline Abert Vian
Article
Food Science & Technology
Harish Karthikeyan Ravi, Antoine Degrou, Jerome Costil, Christophe Trespeuch, Farid Chemat, Maryline Abert Vian
EUROPEAN FOOD RESEARCH AND TECHNOLOGY
(2020)
Article
Acoustics
Gualtiero Milani, Maryline Vian, Maria Maddalena Cavalluzzi, Carlo Franchini, Filomena Corbo, Giovanni Lentini, Farid Chemat
ULTRASONICS SONOCHEMISTRY
(2020)
Article
Engineering, Chemical
Harish Karthikeyan Ravi, Come Guidou, Jerome Costil, Christophe Trespeuch, Farid Chemat, Maryline Abert Vian
Summary: The black soldier fly larvae (BSFL) can be a sustainable ingredient for various products, and a wet mode fractionation (WMF) process has been explored to obtain lipid and protein fractions with enhanced functional properties. Lauric acid and linoleic acid are the primary fatty acids present in BSFL lipids, with aqueous and solid fractions being the main constituents of BSFL juice. The versatile WMF process proposed in the study involves simple unit operations to obtain functional ingredients from BSFL.
Review
Food Science & Technology
Christian Cravotto, Anne-Sylvie Fabiano-Tixier, Ombeline Claux, Maryline Abert-Vian, Silvia Tabasso, Giancarlo Cravotto, Farid Chemat
Summary: Hexane is a commonly used solvent in the food industry for extracting various products, but its neurotoxicity to humans is a concern. Despite the lack of established tolerable daily intake, it is important to assess the risks associated with hidden exposure to hexane residues in food, and encourage the industry to consider alternative extraction methods to minimize these risks.
Article
Agronomy
Said Gharby, Harish Karthikeyan Ravi, Dominique Guillaume, Maryline Abert Vian, Farid Chemat, Zoubida Charrouf
OCL-OILSEEDS AND FATS CROPS AND LIPIDS
(2020)
Review
Chemistry, Multidisciplinary
Farid Chemat, Maryline Abert Vian, Anne-Sylvie Fabiano-Tixier, Marinela Nutrizio, Anet Rezek Jambrak, Paulo E. S. Munekata, Jose M. Lorenzo, Francisco J. Barba, Arianna Binello, Giancarlo Cravotto
Article
Agronomy
Emna Chaabani, Maryline Abert Vien, Sarra Dakhlaoui, Soumaya Bourgou, Farid Chemat, Riadh Ksouri
OCL-OILSEEDS AND FATS CROPS AND LIPIDS
(2019)