Screening natural deep eutectic solvents (NaDES) using COSMO-RS for sustainable and environmentally-friendly cosmetic ingredients
Апстракт
DES are mixtures of a hydrogen bond donor (HBD) and a hydrogen bond acceptor (HBA) that, when combined in a specific molar ratio, exhibit a significant decrease in melting point and become liquid at room temperature. DES can be tailored to meet different physicochemical requirements by altering the HBA:HBD ratio or the nature of the compounds. In this study, we utilized the COSMO-RS method to predict the activity coefficients of 12 phenolic compounds in 105 NaDES. These NaDES contained equimolar mixtures of betaine, carnitine, creatine, and ornithine as HBAs and various sugars and amino acids as HBDs. The NaDES were compared to methanol, and several mixtures exhibited higher affinities to all phenolics. The most promising NaDES were betaine-glycerol, betaine-xylitol, and carnitine-urea. We are currently conducting experimental validation of the extraction efficiency of these cosmetically acceptable solvents. In summary, we have identified promising NaDES mixtures that could replace con...ventional solvents and contribute to the development of sustainable, bio-based extracts.
Acknowledgment: This research was funded by The Science Fund of the Republic of Serbia, Serbian Science and Diaspora Collaboration Program, No. 389927, and the MNTR, contracts No. 451-03-47/2023-01/200168 and 451-03-47/2023-01/200288.
Извор:
59th Meeting of the Serbian Chemical Society, Book of Abstracts, June 1-2, 2023, Novi Sad, Serbia, 2023, 66Финансирање / пројекти:
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200168 (Универзитет у Београду, Хемијски факултет) (RS-MESTD-inst-2020-200168)
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200288 (Иновациони центар Хемијског факултета у Београду доо) (RS-MESTD-inst-2020-200288)
Колекције
Институција/група
Inovacioni centar / Innovation CentreTY - CONF AU - Cvijetić, Ilija AU - Ivković, Đurđa AU - Todorović, Petar AU - Andrić, Filip AU - Ristivojević, Petar PY - 2023 UR - http://cherry.chem.bg.ac.rs/handle/123456789/6222 AB - DES are mixtures of a hydrogen bond donor (HBD) and a hydrogen bond acceptor (HBA) that, when combined in a specific molar ratio, exhibit a significant decrease in melting point and become liquid at room temperature. DES can be tailored to meet different physicochemical requirements by altering the HBA:HBD ratio or the nature of the compounds. In this study, we utilized the COSMO-RS method to predict the activity coefficients of 12 phenolic compounds in 105 NaDES. These NaDES contained equimolar mixtures of betaine, carnitine, creatine, and ornithine as HBAs and various sugars and amino acids as HBDs. The NaDES were compared to methanol, and several mixtures exhibited higher affinities to all phenolics. The most promising NaDES were betaine-glycerol, betaine-xylitol, and carnitine-urea. We are currently conducting experimental validation of the extraction efficiency of these cosmetically acceptable solvents. In summary, we have identified promising NaDES mixtures that could replace conventional solvents and contribute to the development of sustainable, bio-based extracts. Acknowledgment: This research was funded by The Science Fund of the Republic of Serbia, Serbian Science and Diaspora Collaboration Program, No. 389927, and the MNTR, contracts No. 451-03-47/2023-01/200168 and 451-03-47/2023-01/200288. C3 - 59th Meeting of the Serbian Chemical Society, Book of Abstracts, June 1-2, 2023, Novi Sad, Serbia T1 - Screening natural deep eutectic solvents (NaDES) using COSMO-RS for sustainable and environmentally-friendly cosmetic ingredients IS - 66 UR - https://hdl.handle.net/21.15107/rcub_cherry_6222 ER -
@conference{ author = "Cvijetić, Ilija and Ivković, Đurđa and Todorović, Petar and Andrić, Filip and Ristivojević, Petar", year = "2023", abstract = "DES are mixtures of a hydrogen bond donor (HBD) and a hydrogen bond acceptor (HBA) that, when combined in a specific molar ratio, exhibit a significant decrease in melting point and become liquid at room temperature. DES can be tailored to meet different physicochemical requirements by altering the HBA:HBD ratio or the nature of the compounds. In this study, we utilized the COSMO-RS method to predict the activity coefficients of 12 phenolic compounds in 105 NaDES. These NaDES contained equimolar mixtures of betaine, carnitine, creatine, and ornithine as HBAs and various sugars and amino acids as HBDs. The NaDES were compared to methanol, and several mixtures exhibited higher affinities to all phenolics. The most promising NaDES were betaine-glycerol, betaine-xylitol, and carnitine-urea. We are currently conducting experimental validation of the extraction efficiency of these cosmetically acceptable solvents. In summary, we have identified promising NaDES mixtures that could replace conventional solvents and contribute to the development of sustainable, bio-based extracts. Acknowledgment: This research was funded by The Science Fund of the Republic of Serbia, Serbian Science and Diaspora Collaboration Program, No. 389927, and the MNTR, contracts No. 451-03-47/2023-01/200168 and 451-03-47/2023-01/200288.", journal = "59th Meeting of the Serbian Chemical Society, Book of Abstracts, June 1-2, 2023, Novi Sad, Serbia", title = "Screening natural deep eutectic solvents (NaDES) using COSMO-RS for sustainable and environmentally-friendly cosmetic ingredients", number = "66", url = "https://hdl.handle.net/21.15107/rcub_cherry_6222" }
Cvijetić, I., Ivković, Đ., Todorović, P., Andrić, F.,& Ristivojević, P.. (2023). Screening natural deep eutectic solvents (NaDES) using COSMO-RS for sustainable and environmentally-friendly cosmetic ingredients. in 59th Meeting of the Serbian Chemical Society, Book of Abstracts, June 1-2, 2023, Novi Sad, Serbia(66). https://hdl.handle.net/21.15107/rcub_cherry_6222
Cvijetić I, Ivković Đ, Todorović P, Andrić F, Ristivojević P. Screening natural deep eutectic solvents (NaDES) using COSMO-RS for sustainable and environmentally-friendly cosmetic ingredients. in 59th Meeting of the Serbian Chemical Society, Book of Abstracts, June 1-2, 2023, Novi Sad, Serbia. 2023;(66). https://hdl.handle.net/21.15107/rcub_cherry_6222 .
Cvijetić, Ilija, Ivković, Đurđa, Todorović, Petar, Andrić, Filip, Ristivojević, Petar, "Screening natural deep eutectic solvents (NaDES) using COSMO-RS for sustainable and environmentally-friendly cosmetic ingredients" in 59th Meeting of the Serbian Chemical Society, Book of Abstracts, June 1-2, 2023, Novi Sad, Serbia, no. 66 (2023), https://hdl.handle.net/21.15107/rcub_cherry_6222 .