Solubilidade da arginina, do glutamato de sódio e do ibuprofeno em soluções organo-aquosas

Detalhes bibliográficos
Ano de defesa: 2025
Autor(a) principal: Silva, Taciana Barros e
Orientador(a): Bernardo, André lattes
Banca de defesa: Não Informado pela instituição
Tipo de documento: Dissertação
Tipo de acesso: Acesso aberto
Idioma: por
Instituição de defesa: Universidade Federal de São Carlos
Câmpus São Carlos
Programa de Pós-Graduação: Programa de Pós-Graduação em Engenharia Química - PPGEQ
Departamento: Não Informado pela instituição
País: Não Informado pela instituição
Palavras-chave em Português:
Palavras-chave em Inglês:
Área do conhecimento CNPq:
Link de acesso: https://hdl.handle.net/20.500.14289/22085
Resumo: The study of solubility is extremely relevant for drug production and absorption, as well as for the purification of products through crystallization, and for understanding solid-liquid equilibrium. In this work, the solubility of arginine, monosodium glutamate, and ibuprofen in the water-ethanol and water-propylene glycol solvent systems was experimentally determined through the isothermal method and analyzed at temperatures ranging from 25 to 50°C. The solids in equilibrium were characterized by X-ray diffraction (XRD) and optical microscopy (OM). The solubility results obtained were used to fit thermodynamic models: for arginine and monosodium glutamate, only Apelblat and λh models were used, while for ibuprofen, the Apelblat, λh and Wilson models were applied. For all compounds and solvent systems, solubility increased with temperature. The experimental solubility data for arginine and ibuprofen showed behavior similar to that reported in the literature. For sodium glutamate, no previous studies on its solubility were found, to the best of our knowledge. Among all the studied conditions and within the analyzed temperature range, the Apelblat model provided the best fits. According to the Wilson model, at certain temperatures, all components in the system influence molecular interactions, and as the temperature rises above 35 °C, the model becomes less accurate in representing the solubility of ibuprofen. For all three compounds, the solubilization process is endothermic, favored by entropy, although limited by endothermicity, non-spontaneous, as the values of ΔH, ΔS, and ΔG were positive, except for sodium glutamate in pure water, where ΔS was negative, and driven by enthalpy. X-ray diffraction showed that, for both arginine and glutamate, there are two possible different forms in equilibrium in the systems. For arginine, optical microscopy indicated similar crystal habits between the water-ethanol 15%, water-ethanol 30%, and water-propylene glycol 15% systems, and a similarity between the water-propylene glycol 30% system and pure water. This differs from the XRD results and may be explained by a possible recrystallization. For monosodium glutamate, the crystals in all systems showed similar crystal habits. For ibuprofen, the XRD revealed that none of the studied systems closely resembled the enantiomer (S)-ibuprofen or (R)-ibuprofen, nor the (R,S)-ibuprofen, suggesting the possible presence of mixtures with varying proportions of (S)- and (R,S)-ibuprofen. However, optical microscopy indicated similar crystal habits between the crystals of the water-ethanol system for all compositions and pure propylene glycol.
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spelling Silva, Taciana Barros eBernardo, Andréhttp://lattes.cnpq.br/5705402824877708http://lattes.cnpq.br/34540396177250282025-05-19T18:32:30Z2025-03-21SILVA, Taciana Barros e. Solubilidade da arginina, do glutamato de sódio e do ibuprofeno em soluções organo-aquosas. 2025. Dissertação (Mestrado em Engenharia Química) – Universidade Federal de São Carlos, São Carlos, 2025. Disponível em: https://repositorio.ufscar.br/handle/20.500.14289/22085.https://hdl.handle.net/20.500.14289/22085The study of solubility is extremely relevant for drug production and absorption, as well as for the purification of products through crystallization, and for understanding solid-liquid equilibrium. In this work, the solubility of arginine, monosodium glutamate, and ibuprofen in the water-ethanol and water-propylene glycol solvent systems was experimentally determined through the isothermal method and analyzed at temperatures ranging from 25 to 50°C. The solids in equilibrium were characterized by X-ray diffraction (XRD) and optical microscopy (OM). The solubility results obtained were used to fit thermodynamic models: for arginine and monosodium glutamate, only Apelblat and λh models were used, while for ibuprofen, the Apelblat, λh and Wilson models were applied. For all compounds and solvent systems, solubility increased with temperature. The experimental solubility data for arginine and ibuprofen showed behavior similar to that reported in the literature. For sodium glutamate, no previous studies on its solubility were found, to the best of our knowledge. Among all the studied conditions and within the analyzed temperature range, the Apelblat model provided the best fits. According to the Wilson model, at certain temperatures, all components in the system influence molecular interactions, and as the temperature rises above 35 °C, the model becomes less accurate in representing the solubility of ibuprofen. For all three compounds, the solubilization process is endothermic, favored by entropy, although limited by endothermicity, non-spontaneous, as the values of ΔH, ΔS, and ΔG were positive, except for sodium glutamate in pure water, where ΔS was negative, and driven by enthalpy. X-ray diffraction showed that, for both arginine and glutamate, there are two possible different forms in equilibrium in the systems. For arginine, optical microscopy indicated similar crystal habits between the water-ethanol 15%, water-ethanol 30%, and water-propylene glycol 15% systems, and a similarity between the water-propylene glycol 30% system and pure water. This differs from the XRD results and may be explained by a possible recrystallization. For monosodium glutamate, the crystals in all systems showed similar crystal habits. For ibuprofen, the XRD revealed that none of the studied systems closely resembled the enantiomer (S)-ibuprofen or (R)-ibuprofen, nor the (R,S)-ibuprofen, suggesting the possible presence of mixtures with varying proportions of (S)- and (R,S)-ibuprofen. However, optical microscopy indicated similar crystal habits between the crystals of the water-ethanol system for all compositions and pure propylene glycol.O estudo da solubilidade apresenta extrema relevância para a produção e absorção de fármacos e para a purificação de produtos através da cristalização, bem como o conhecimento sobre equilíbrio sólido-líquido. Dessa forma, neste trabalho foi determinada experimentalmente, através do método isotérmico, e analisada a solubilidade da arginina, do glutamato de sódio e do ibuprofeno no sistema solvente água-etanol e água-propileno glicol em temperaturas de 25 a 50 °C. Os sólidos em equilíbrio foram caracterizados por difração de raios x (DRX) e microscopia óptica (MO). Os resultados da solubilidade obtidos foram usados para ajustar a modelos termodinâmicos, no caso da arginina e do glutamato de sódio apenas Apelblat e λh, e para o ibuprofeno Apelblat, λh e Wilson. Para todos os compostos e todos os sistemas, houve aumento da solubilidade com o aumento da temperatura. Os dados experimentais de solubilidade obtidos para a arginina e para o ibuprofeno apresentaram comportamento semelhante a trabalhos da literatura. Para o glutamato de sódio, até onde foi possível buscar, não se encontrou trabalhos sobre o estudo da sua solubilidade. Para todas as condições estudadas e no intervalo de temperatura analisado, o modelo de Apelblat foi o que apresentou melhores ajustes. De acordo com o modelo de Wilson, em certas temperaturas, todos os componentes presentes no sistema influenciam nas interações e ao aumentar a temperatura (a partir de 35 °C), o modelo de Wilson não consegue mais representar bem a solubilidade do ibuprofeno. Para os três compostos, o processo de solubilização é endotérmico, favorecido pela entropia, ainda que limitado pela endotermia, não espontâneo, visto que os valores de ΔH, ΔS e ΔG foram positivos, ΔS negativo apenas para a água pura no caso do glutamato, e conduzido pela entalpia. A difração de raios x mostrou, para a arginina e para o glutamato, que existem duas possíveis formas diferentes em equilíbrio nos sistemas. Para a arginina, a microscopia óptica indicou hábitos de cristais semelhantes entre os sistemas água-etanol 15%, água-etanol 30% e água-propileno glicol 15%, e uma semelhança entre o sistema água-propileno glicol 30% e em água pura, diferentemente do que foi observado no DRX, o que pode ser explicado por uma possível recristalização que ocorreu; para o glutamato de sódio, os cristais de todos os sistemas apresentaram semelhantes hábitos de cristais, e para o ibuprofeno, o DRX mostrou que nenhum dos sistemas estudados se assemelham totalmente ao enantiômero (S)-ibuprofeno ou (R)-ibuprofeno, nem ao (R,S)-ibuprofeno e que pode existir uma mistura com diferentes proporções do (S)-ibuprofeno e do (R,S)-ibuprofeno nos sistemas, entretanto a microscopia óptica indicou hábitos de cristais semelhantes entre os cristais do sistema água-etanol, para todas as composições, e do propileno glicol puro.porUniversidade Federal de São CarlosCâmpus São CarlosPrograma de Pós-Graduação em Engenharia Química - PPGEQUFSCarAttribution-NonCommercial-NoDerivs 3.0 Brazilhttp://creativecommons.org/licenses/by-nc-nd/3.0/br/info:eu-repo/semantics/openAccessSolubilitySolid-liquid equilibriumThermodynamic modelsArginineMonosodium glutamateIbuprofenENGENHARIAS::ENGENHARIA QUIMICASolubilidadeEquilíbrio sólido-líquidoModelos termodinâmicosArgininaGlutamato de sódioIbuprofenoSolubilidade da arginina, do glutamato de sódio e do ibuprofeno em soluções organo-aquosasSolubility of arginine, monosodium glutamate, and ibuprofen in aqueous-organic mixturesinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/masterThesisreponame:Repositório Institucional da UFSCARinstname:Universidade Federal de São Carlos (UFSCAR)instacron:UFSCARORIGINALDefesa Taciana Barros e Silva_versaofinal.pdfDefesa Taciana Barros e Silva_versaofinal.pdfapplication/pdf2993029https://repositorio.ufscar.br/bitstreams/7d451b63-98f2-4f73-9b73-4d23caaed695/downloadb8a25203a1143a32d59d2842ebf31ff4MD51trueAnonymousREADCC-LICENSElicense_rdflicense_rdfapplication/rdf+xml; charset=utf-8905https://repositorio.ufscar.br/bitstreams/b5b8765b-2617-4051-ac39-41ec6c909d9f/download57e258e544f104f04afb1d5e5b4e53c0MD52falseAnonymousREADTEXTDefesa Taciana Barros e Silva_versaofinal.pdf.txtDefesa Taciana Barros e Silva_versaofinal.pdf.txtExtracted texttext/plain103539https://repositorio.ufscar.br/bitstreams/aea9ab2a-e021-4bb0-a4a0-ad42e0dde956/downloadc5537fdb4b7e968e718bcb4ae090582eMD53falseAnonymousREADTHUMBNAILDefesa Taciana Barros e Silva_versaofinal.pdf.jpgDefesa Taciana Barros e Silva_versaofinal.pdf.jpgGenerated Thumbnailimage/jpeg3977https://repositorio.ufscar.br/bitstreams/446e518a-461f-4987-a643-a182afb1ff53/download1012725439e4747b610d7dfcdbc68c6cMD54falseAnonymousREAD20.500.14289/220852025-05-20 00:04:09.347http://creativecommons.org/licenses/by-nc-nd/3.0/br/Attribution-NonCommercial-NoDerivs 3.0 Brazilopen.accessoai:repositorio.ufscar.br:20.500.14289/22085https://repositorio.ufscar.brRepositório InstitucionalPUBhttps://repositorio.ufscar.br/oai/requestrepositorio.sibi@ufscar.bropendoar:43222025-05-20T03:04:09Repositório Institucional da UFSCAR - Universidade Federal de São Carlos (UFSCAR)false
dc.title.none.fl_str_mv Solubilidade da arginina, do glutamato de sódio e do ibuprofeno em soluções organo-aquosas
dc.title.alternative.eng.fl_str_mv Solubility of arginine, monosodium glutamate, and ibuprofen in aqueous-organic mixtures
title Solubilidade da arginina, do glutamato de sódio e do ibuprofeno em soluções organo-aquosas
spellingShingle Solubilidade da arginina, do glutamato de sódio e do ibuprofeno em soluções organo-aquosas
Silva, Taciana Barros e
Solubility
Solid-liquid equilibrium
Thermodynamic models
Arginine
Monosodium glutamate
Ibuprofen
ENGENHARIAS::ENGENHARIA QUIMICA
Solubilidade
Equilíbrio sólido-líquido
Modelos termodinâmicos
Arginina
Glutamato de sódio
Ibuprofeno
title_short Solubilidade da arginina, do glutamato de sódio e do ibuprofeno em soluções organo-aquosas
title_full Solubilidade da arginina, do glutamato de sódio e do ibuprofeno em soluções organo-aquosas
title_fullStr Solubilidade da arginina, do glutamato de sódio e do ibuprofeno em soluções organo-aquosas
title_full_unstemmed Solubilidade da arginina, do glutamato de sódio e do ibuprofeno em soluções organo-aquosas
title_sort Solubilidade da arginina, do glutamato de sódio e do ibuprofeno em soluções organo-aquosas
author Silva, Taciana Barros e
author_facet Silva, Taciana Barros e
author_role author
dc.contributor.authorlattes.none.fl_str_mv http://lattes.cnpq.br/3454039617725028
dc.contributor.author.fl_str_mv Silva, Taciana Barros e
dc.contributor.advisor1.fl_str_mv Bernardo, André
dc.contributor.advisor1Lattes.fl_str_mv http://lattes.cnpq.br/5705402824877708
contributor_str_mv Bernardo, André
dc.subject.eng.fl_str_mv Solubility
Solid-liquid equilibrium
Thermodynamic models
Arginine
Monosodium glutamate
Ibuprofen
topic Solubility
Solid-liquid equilibrium
Thermodynamic models
Arginine
Monosodium glutamate
Ibuprofen
ENGENHARIAS::ENGENHARIA QUIMICA
Solubilidade
Equilíbrio sólido-líquido
Modelos termodinâmicos
Arginina
Glutamato de sódio
Ibuprofeno
dc.subject.cnpq.fl_str_mv ENGENHARIAS::ENGENHARIA QUIMICA
dc.subject.por.fl_str_mv Solubilidade
Equilíbrio sólido-líquido
Modelos termodinâmicos
Arginina
Glutamato de sódio
Ibuprofeno
description The study of solubility is extremely relevant for drug production and absorption, as well as for the purification of products through crystallization, and for understanding solid-liquid equilibrium. In this work, the solubility of arginine, monosodium glutamate, and ibuprofen in the water-ethanol and water-propylene glycol solvent systems was experimentally determined through the isothermal method and analyzed at temperatures ranging from 25 to 50°C. The solids in equilibrium were characterized by X-ray diffraction (XRD) and optical microscopy (OM). The solubility results obtained were used to fit thermodynamic models: for arginine and monosodium glutamate, only Apelblat and λh models were used, while for ibuprofen, the Apelblat, λh and Wilson models were applied. For all compounds and solvent systems, solubility increased with temperature. The experimental solubility data for arginine and ibuprofen showed behavior similar to that reported in the literature. For sodium glutamate, no previous studies on its solubility were found, to the best of our knowledge. Among all the studied conditions and within the analyzed temperature range, the Apelblat model provided the best fits. According to the Wilson model, at certain temperatures, all components in the system influence molecular interactions, and as the temperature rises above 35 °C, the model becomes less accurate in representing the solubility of ibuprofen. For all three compounds, the solubilization process is endothermic, favored by entropy, although limited by endothermicity, non-spontaneous, as the values of ΔH, ΔS, and ΔG were positive, except for sodium glutamate in pure water, where ΔS was negative, and driven by enthalpy. X-ray diffraction showed that, for both arginine and glutamate, there are two possible different forms in equilibrium in the systems. For arginine, optical microscopy indicated similar crystal habits between the water-ethanol 15%, water-ethanol 30%, and water-propylene glycol 15% systems, and a similarity between the water-propylene glycol 30% system and pure water. This differs from the XRD results and may be explained by a possible recrystallization. For monosodium glutamate, the crystals in all systems showed similar crystal habits. For ibuprofen, the XRD revealed that none of the studied systems closely resembled the enantiomer (S)-ibuprofen or (R)-ibuprofen, nor the (R,S)-ibuprofen, suggesting the possible presence of mixtures with varying proportions of (S)- and (R,S)-ibuprofen. However, optical microscopy indicated similar crystal habits between the crystals of the water-ethanol system for all compositions and pure propylene glycol.
publishDate 2025
dc.date.accessioned.fl_str_mv 2025-05-19T18:32:30Z
dc.date.issued.fl_str_mv 2025-03-21
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dc.identifier.citation.fl_str_mv SILVA, Taciana Barros e. Solubilidade da arginina, do glutamato de sódio e do ibuprofeno em soluções organo-aquosas. 2025. Dissertação (Mestrado em Engenharia Química) – Universidade Federal de São Carlos, São Carlos, 2025. Disponível em: https://repositorio.ufscar.br/handle/20.500.14289/22085.
dc.identifier.uri.fl_str_mv https://hdl.handle.net/20.500.14289/22085
identifier_str_mv SILVA, Taciana Barros e. Solubilidade da arginina, do glutamato de sódio e do ibuprofeno em soluções organo-aquosas. 2025. Dissertação (Mestrado em Engenharia Química) – Universidade Federal de São Carlos, São Carlos, 2025. Disponível em: https://repositorio.ufscar.br/handle/20.500.14289/22085.
url https://hdl.handle.net/20.500.14289/22085
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dc.rights.driver.fl_str_mv Attribution-NonCommercial-NoDerivs 3.0 Brazil
http://creativecommons.org/licenses/by-nc-nd/3.0/br/
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rights_invalid_str_mv Attribution-NonCommercial-NoDerivs 3.0 Brazil
http://creativecommons.org/licenses/by-nc-nd/3.0/br/
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Universidade Federal de São Carlos
Câmpus São Carlos
dc.publisher.program.fl_str_mv Programa de Pós-Graduação em Engenharia Química - PPGEQ
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publisher.none.fl_str_mv Universidade Federal de São Carlos
Câmpus São Carlos
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