dor_id: 4161138

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650.#.4.x: Físico Matemáticas y Ciencias de la Tierra

336.#.#.b: article

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336.#.#.a: Artículo

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351.#.#.b: Revista Mexicana de Física

351.#.#.a: Artículos

harvesting_group: RevistasUNAM.116

270.1.#.p: Revistas UNAM. Dirección General de Publicaciones y Fomento Editorial, UNAM en revistas@unam.mx

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856.4.0.u: https://rmf.smf.mx/ojs/index.php/rmf/article/view/7463/7046

100.1.#.a: Martins, Quesle; Sonsin, A. F.; Silva, L. G. F.; Ribas, A.; Oliveira, D. L. L.; Lima, R. C. S.

524.#.#.a: Martins, Quesle, et al. (2025). Raman spectra of thermally excited Brazil nut oil and experimental and theoretical correlation of oleic acid. Revista Mexicana de Física; Vol. 71 Núm. 1 Jan-Feb, 2025. Recuperado de https://repositorio.unam.mx/contenidos/4161138

245.1.0.a: Raman spectra of thermally excited Brazil nut oil and experimental and theoretical correlation of oleic acid

502.#.#.c: Universidad Nacional Autónoma de México

561.1.#.a: Facultad de Ciencias, UNAM

264.#.0.c: 2025

264.#.1.c: 2025-01-01

653.#.#.a: Raman spectroscopy; density functional theory; Brazil nuts oil; thermal analysis

506.1.#.a: La titularidad de los derechos patrimoniales de esta obra pertenece a las instituciones editoras. Su uso se rige por una licencia Creative Commons BY-NC-ND 4.0 Internacional, https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode.es, para un uso diferente consultar al responsable jurídico del repositorio por medio del correo electrónico rmf@ciencias.unam.mx

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001.#.#.#: 116.oai:ojs2.rmf.smf.mx:article/7463

041.#.7.h: eng

520.3.#.a: In this study, Raman spectra of Brazil nut oil were collected through a frying process at temperatures ranging from 50 °C to 250 °C, and of oleic acid at room temperature to compare their respective vibrational bands. The theoretical and scaled Raman frequencies of the oleic acid structure were obtained with the Density Functional Theory, employed using the basis set of the 6-311G+(d,p) Gaussian type orbital and the B3LYP functional. Experimental results reveal subtle changes in the spectra of Brazil nut oil from 210 °C onwards, characterized mainly by a decrease in the Raman signal and broadening of certain bands, such as those observed at 1746 cm-1, 2726 cmcm-1 and 3012 cmcm-1. At temperatures around 230 °C to 250 °C, Brazil nut oil undergoes advanced thermal degradation. The linear fit data demonstrate a linear relationship between the Raman signal and temperature increase, with R2 values of 0.999 and 0.977, for some bands. The Density Functional Theory method proved to be useful in predicting oleic acid spectra and vibrational signatures were assigned with the help of the VEDA program. This work highlights the potential of Raman spectroscopy to detect changes in Brazil nut oil during frying.

773.1.#.t: Revista Mexicana de Física; Vol. 71 Núm. 1 Jan-Feb (2025)

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022.#.#.a: ISSN electrónico: 2683-2224; ISSN impreso: 0035-001X

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264.#.1.b: Facultad de Ciencias, UNAM; Sociedad Mexicana de Física

doi: https://doi.org/10.31349/RevMexFis.71.010502

harvesting_date: 2025-01-07 00:00:00.0

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Artículo

Raman spectra of thermally excited Brazil nut oil and experimental and theoretical correlation of oleic acid

Martins, Quesle; Sonsin, A. F.; Silva, L. G. F.; Ribas, A.; Oliveira, D. L. L.; Lima, R. C. S.

Facultad de Ciencias, UNAM, publicado en Revista Mexicana de Física, y cosechado de Revistas UNAM

Licencia de uso

Procedencia del contenido

Entidad o dependencia
Facultad de Ciencias, UNAM
Revista
Repositorio
Contacto
Revistas UNAM. Dirección General de Publicaciones y Fomento Editorial, UNAM en revistas@unam.mx

Cita

Martins, Quesle, et al. (2025). Raman spectra of thermally excited Brazil nut oil and experimental and theoretical correlation of oleic acid. Revista Mexicana de Física; Vol. 71 Núm. 1 Jan-Feb, 2025. Recuperado de https://repositorio.unam.mx/contenidos/4161138

Descripción del recurso

Autor(es)
Martins, Quesle; Sonsin, A. F.; Silva, L. G. F.; Ribas, A.; Oliveira, D. L. L.; Lima, R. C. S.
Tipo
Artículo de Investigación
Área del conocimiento
Físico Matemáticas y Ciencias de la Tierra
Título
Raman spectra of thermally excited Brazil nut oil and experimental and theoretical correlation of oleic acid
Fecha
2025-01-01
Resumen
In this study, Raman spectra of Brazil nut oil were collected through a frying process at temperatures ranging from 50 °C to 250 °C, and of oleic acid at room temperature to compare their respective vibrational bands. The theoretical and scaled Raman frequencies of the oleic acid structure were obtained with the Density Functional Theory, employed using the basis set of the 6-311G+(d,p) Gaussian type orbital and the B3LYP functional. Experimental results reveal subtle changes in the spectra of Brazil nut oil from 210 °C onwards, characterized mainly by a decrease in the Raman signal and broadening of certain bands, such as those observed at 1746 cm-1, 2726 cmcm-1 and 3012 cmcm-1. At temperatures around 230 °C to 250 °C, Brazil nut oil undergoes advanced thermal degradation. The linear fit data demonstrate a linear relationship between the Raman signal and temperature increase, with R2 values of 0.999 and 0.977, for some bands. The Density Functional Theory method proved to be useful in predicting oleic acid spectra and vibrational signatures were assigned with the help of the VEDA program. This work highlights the potential of Raman spectroscopy to detect changes in Brazil nut oil during frying.
Tema
Raman spectroscopy; density functional theory; Brazil nuts oil; thermal analysis
Idioma
eng
ISSN
ISSN electrónico: 2683-2224; ISSN impreso: 0035-001X

Enlaces