A study on monoterpenoid-based natural deep eutectic solvents

Herein, the synthesis and characterization methods of natural deep eutectic solvents based on monoterpenoids have been presented. Low viscous fluids with suitable physicochemical properties are produced. The materials are non-toxic, biodegradable, and cost-effective. Thus, they can be used to develo...

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Detalles Bibliográficos
Autores: Rozas Azcona, Sara, Zamora Pastor, Lorena, Benito, Cristina, Atilhan, Mert, Aparicio Martínez, Santiago
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2023
País:España
Institución:Universidad de Burgos (UBU)
Repositorio:Repositorio Institucional de la Universidad de Burgos (RIUBU)
OAI Identifier:oai:riubu.ubu.es:10259/9495
Acceso en línea:http://hdl.handle.net/10259/9495
Access Level:acceso abierto
Palabra clave:Natural deep eutectic solvents
Terpenes
DFT
MD
COSMO-RS
CO2 solubility
Química física
Chemistry, Physical and theoretical
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spelling A study on monoterpenoid-based natural deep eutectic solventsRozas Azcona, SaraZamora Pastor, LorenaBenito, CristinaAtilhan, MertAparicio Martínez, SantiagoNatural deep eutectic solventsTerpenesDFTMDCOSMO-RSCO2 solubilityQuímica físicaChemistry, Physical and theoreticalHerein, the synthesis and characterization methods of natural deep eutectic solvents based on monoterpenoids have been presented. Low viscous fluids with suitable physicochemical properties are produced. The materials are non-toxic, biodegradable, and cost-effective. Thus, they can be used to develop sustainable solvents for various processes and can find their applications in various fields. A theoretical study based on quantum chemistry and classical molecular dynamics is used for the nanoscopic characterization of structure, dynamics, and hydrogen bonding. The reported results help analyze the properties of this new family of solvents. The required information for developing structure–property relationships for proper solvent design to form a sustainable chemistry framework is obtained.This work was funded by the Junta de Castilla y Leon (Spain, project NANOCOMP-BU058P20 ) and the Ministerio de Ciencia, Innovación y Universidades (Spain, project RTI2018–101987-B-I00 ).Elsevier202420242023info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionapplication/pdfhttp://hdl.handle.net/10259/9495reponame:Repositorio Institucional de la Universidad de Burgos (RIUBU)instname:Universidad de Burgos (UBU)InglésGreen Chemical Engineering. 2023, V. 4, n. 1, p. 99-114https://doi.org/10.1016/j.gce.2022.05.005Attribution-NonCommercial-NoDerivatives 4.0 Internacionalhttp://creativecommons.org/licenses/by-nc-nd/4.0/info:eu-repo/semantics/openAccessoai:riubu.ubu.es:10259/94952026-05-28T07:56:11Z
dc.title.none.fl_str_mv A study on monoterpenoid-based natural deep eutectic solvents
title A study on monoterpenoid-based natural deep eutectic solvents
spellingShingle A study on monoterpenoid-based natural deep eutectic solvents
Rozas Azcona, Sara
Natural deep eutectic solvents
Terpenes
DFT
MD
COSMO-RS
CO2 solubility
Química física
Chemistry, Physical and theoretical
title_short A study on monoterpenoid-based natural deep eutectic solvents
title_full A study on monoterpenoid-based natural deep eutectic solvents
title_fullStr A study on monoterpenoid-based natural deep eutectic solvents
title_full_unstemmed A study on monoterpenoid-based natural deep eutectic solvents
title_sort A study on monoterpenoid-based natural deep eutectic solvents
dc.creator.none.fl_str_mv Rozas Azcona, Sara
Zamora Pastor, Lorena
Benito, Cristina
Atilhan, Mert
Aparicio Martínez, Santiago
author Rozas Azcona, Sara
author_facet Rozas Azcona, Sara
Zamora Pastor, Lorena
Benito, Cristina
Atilhan, Mert
Aparicio Martínez, Santiago
author_role author
author2 Zamora Pastor, Lorena
Benito, Cristina
Atilhan, Mert
Aparicio Martínez, Santiago
author2_role author
author
author
author
dc.subject.none.fl_str_mv Natural deep eutectic solvents
Terpenes
DFT
MD
COSMO-RS
CO2 solubility
Química física
Chemistry, Physical and theoretical
topic Natural deep eutectic solvents
Terpenes
DFT
MD
COSMO-RS
CO2 solubility
Química física
Chemistry, Physical and theoretical
description Herein, the synthesis and characterization methods of natural deep eutectic solvents based on monoterpenoids have been presented. Low viscous fluids with suitable physicochemical properties are produced. The materials are non-toxic, biodegradable, and cost-effective. Thus, they can be used to develop sustainable solvents for various processes and can find their applications in various fields. A theoretical study based on quantum chemistry and classical molecular dynamics is used for the nanoscopic characterization of structure, dynamics, and hydrogen bonding. The reported results help analyze the properties of this new family of solvents. The required information for developing structure–property relationships for proper solvent design to form a sustainable chemistry framework is obtained.
publishDate 2023
dc.date.none.fl_str_mv 2023
2024
2024
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/10259/9495
url http://hdl.handle.net/10259/9495
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Green Chemical Engineering. 2023, V. 4, n. 1, p. 99-114
https://doi.org/10.1016/j.gce.2022.05.005
dc.rights.none.fl_str_mv Attribution-NonCommercial-NoDerivatives 4.0 Internacional
http://creativecommons.org/licenses/by-nc-nd/4.0/
info:eu-repo/semantics/openAccess
rights_invalid_str_mv Attribution-NonCommercial-NoDerivatives 4.0 Internacional
http://creativecommons.org/licenses/by-nc-nd/4.0/
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv reponame:Repositorio Institucional de la Universidad de Burgos (RIUBU)
instname:Universidad de Burgos (UBU)
instname_str Universidad de Burgos (UBU)
reponame_str Repositorio Institucional de la Universidad de Burgos (RIUBU)
collection Repositorio Institucional de la Universidad de Burgos (RIUBU)
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15.811543

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