Unravelling the nature of citric acid:l-arginine:water mixtures

Detalhes bibliográficos
Autor(a) principal: Roda, Ana
Data de Publicação: 2021
Outros Autores: Santos, Filipa, Chua, Yeong Zen, Kumar, Aarti, Do, Hoang Tam, Paiva, Alexandre, Duarte, Ana Rita C., Held, Christoph
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: http://hdl.handle.net/10362/131837
Resumo: ERC-2016-CoG 725034 HE 7165/6-1 CH 1922/1-1
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spelling Unravelling the nature of citric acid:l-arginine:water mixturesThe bifunctional role of waterPhysics and Astronomy(all)Physical and Theoretical ChemistryERC-2016-CoG 725034 HE 7165/6-1 CH 1922/1-1The use of water as a component of deep eutectic systems (DES) has raised some questions regarding its influence on the nature of the mixture. Does it form a DES or an aqueous solution and what is the role of water? In this work, the nature of citric acid:l-arginine:water mixtures was explored through phase equilibria studies and spectroscopic analysis. In a first step, PC-SAFT was validated as a predictive tool to model the water influence on the solid liquid equilibria (SLE) of the DES reline using the individual-component approach. Hence, activity coefficients in the ternary systems citric acid:l-arginine:water and respective binary combinations were studied and compared using ePC-SAFT. It was observed that the water-free mixtures citric acid:l-arginine showed positive deviation from Raoult's law, while upon addition of water strong negative deviation from Raoult's law was found, yielding melting depressions around 100 K. Besides these strong interactions, pH was found to become acidic (pH = 3.5) upon water addition, which yields the formation of charged species ([H2Cit]- and [l-arg]+). Thus, the increased interactions between the molecules upon water addition might be caused by several mechanisms such as hydrogen bonding or ionic forces, both being induced by water. For further investigation, the liquid mixtures citric acid:l-arginine:water were studied by FTIR and NMR spectroscopy. FTIR spectra disproved a possible solubility enhancement caused by salt formation between citric acid and l-arginine, while NMR spectra supported the formation of a hydrogen bonding network different from the binary systems citric acid:water and l-arginine:water. Either being a DES or other type of non-ideal solution, the liquefaction of the studied systems is certainly caused by a water-mediator effect based on the formation of charged species and cross interactions between the mixture constituents. This journal isDQ - Departamento de QuímicaLAQV@REQUIMTERUNRoda, AnaSantos, FilipaChua, Yeong ZenKumar, AartiDo, Hoang TamPaiva, AlexandreDuarte, Ana Rita C.Held, Christoph2022-01-29T05:43:22Z2021-01-142021-01-14T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article12application/pdfhttp://hdl.handle.net/10362/131837eng1463-9076PURE: 28466853https://doi.org/10.1039/d0cp04992ainfo:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2024-03-11T05:10:31Zoai:run.unl.pt:10362/131837Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-20T03:47:16.658774Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse
dc.title.none.fl_str_mv Unravelling the nature of citric acid:l-arginine:water mixtures
The bifunctional role of water
title Unravelling the nature of citric acid:l-arginine:water mixtures
spellingShingle Unravelling the nature of citric acid:l-arginine:water mixtures
Roda, Ana
Physics and Astronomy(all)
Physical and Theoretical Chemistry
title_short Unravelling the nature of citric acid:l-arginine:water mixtures
title_full Unravelling the nature of citric acid:l-arginine:water mixtures
title_fullStr Unravelling the nature of citric acid:l-arginine:water mixtures
title_full_unstemmed Unravelling the nature of citric acid:l-arginine:water mixtures
title_sort Unravelling the nature of citric acid:l-arginine:water mixtures
author Roda, Ana
author_facet Roda, Ana
Santos, Filipa
Chua, Yeong Zen
Kumar, Aarti
Do, Hoang Tam
Paiva, Alexandre
Duarte, Ana Rita C.
Held, Christoph
author_role author
author2 Santos, Filipa
Chua, Yeong Zen
Kumar, Aarti
Do, Hoang Tam
Paiva, Alexandre
Duarte, Ana Rita C.
Held, Christoph
author2_role author
author
author
author
author
author
author
dc.contributor.none.fl_str_mv DQ - Departamento de Química
LAQV@REQUIMTE
RUN
dc.contributor.author.fl_str_mv Roda, Ana
Santos, Filipa
Chua, Yeong Zen
Kumar, Aarti
Do, Hoang Tam
Paiva, Alexandre
Duarte, Ana Rita C.
Held, Christoph
dc.subject.por.fl_str_mv Physics and Astronomy(all)
Physical and Theoretical Chemistry
topic Physics and Astronomy(all)
Physical and Theoretical Chemistry
description ERC-2016-CoG 725034 HE 7165/6-1 CH 1922/1-1
publishDate 2021
dc.date.none.fl_str_mv 2021-01-14
2021-01-14T00:00:00Z
2022-01-29T05:43:22Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://hdl.handle.net/10362/131837
url http://hdl.handle.net/10362/131837
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 1463-9076
PURE: 28466853
https://doi.org/10.1039/d0cp04992a
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
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instacron:RCAAP
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repository.name.fl_str_mv Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
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