Infrared spectroscopy as an alternative methodology to evaluate the effect of structural features on the physical-chemical properties of inulins

Autores
Romano, Nelson Gastón; Araujo Andrade, Cuauhtémoc; Lecot, Carlos Javier; Mobili, Pablo; Gómez-Zavaglia, Andrea
Año de publicación
2018
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Two types of inulins of different composition were investigated in the glassy and in the crystalline states, at relative humidities within 11 and 97%. The melting and glass transition temperatures (Tm, Tg), and their crystallinity indexes (CI) were determined by modulated differential-scanning calorimetry (MDSC) and wide-angle X-ray scattering (WAXS), respectively. In parallel assays, Fourier transform-infrared spectroscopy (FTIR) coupled to principal component analysis (PCA) enabled a physical-chemical and structural characterization of samples, explaining 90% of the total variance. Finally, partial least square (PLS) models were defined to determine Tg, Tm, and CI directly from the FTIR spectra, using the MDSC and WAXS results as reference methods. In all cases, the mean of predicted values fitted very well those of the reference methods (R2 > 0.961), thus supporting the use of the PLS models to investigate unknown samples. The robustness of the models underlines the usefulness of FTIR to easily determine physical-chemical parameters, otherwise requiring complex preparation of samples and prolonged times of analysis.
Centro de Investigación y Desarrollo en Criotecnología de Alimentos
Materia
Química
Inulin
Infrared spectroscopy
Multivariate analysis
Amorphous and crystalline states
Melting temperature
X-ray diffraction
Differential scanning calorimetry
Nivel de accesibilidad
acceso abierto
Condiciones de uso
http://creativecommons.org/licenses/by-nd/4.0/
Repositorio
SEDICI (UNLP)
Institución
Universidad Nacional de La Plata
OAI Identificador
oai:sedici.unlp.edu.ar:10915/87101
Acceder
id SEDICI_52ea88c072ac00e6a21d7d930b4cce1f
oai_identifier_str oai:sedici.unlp.edu.ar:10915/87101
network_acronym_str SEDICI
repository_id_str 1329
network_name_str SEDICI (UNLP)
spelling Infrared spectroscopy as an alternative methodology to evaluate the effect of structural features on the physical-chemical properties of inulinsRomano, Nelson GastónAraujo Andrade, CuauhtémocLecot, Carlos JavierMobili, PabloGómez-Zavaglia, AndreaQuímicaInulinInfrared spectroscopyMultivariate analysisAmorphous and crystalline statesMelting temperatureX-ray diffractionDifferential scanning calorimetryTwo types of inulins of different composition were investigated in the glassy and in the crystalline states, at relative humidities within 11 and 97%. The melting and glass transition temperatures (Tm, Tg), and their crystallinity indexes (CI) were determined by modulated differential-scanning calorimetry (MDSC) and wide-angle X-ray scattering (WAXS), respectively. In parallel assays, Fourier transform-infrared spectroscopy (FTIR) coupled to principal component analysis (PCA) enabled a physical-chemical and structural characterization of samples, explaining 90% of the total variance. Finally, partial least square (PLS) models were defined to determine Tg, Tm, and CI directly from the FTIR spectra, using the MDSC and WAXS results as reference methods. In all cases, the mean of predicted values fitted very well those of the reference methods (R2 > 0.961), thus supporting the use of the PLS models to investigate unknown samples. The robustness of the models underlines the usefulness of FTIR to easily determine physical-chemical parameters, otherwise requiring complex preparation of samples and prolonged times of analysis.Centro de Investigación y Desarrollo en Criotecnología de Alimentos2018-03-10info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdf223-231http://sedici.unlp.edu.ar/handle/10915/87101enginfo:eu-repo/semantics/altIdentifier/issn/0963-9969info:eu-repo/semantics/altIdentifier/doi/10.1016/j.foodres.2018.04.032info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by-nd/4.0/Creative Commons Attribution-NoDerivatives 4.0 International (CC BY-ND 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-11-05T12:56:44Zoai:sedici.unlp.edu.ar:10915/87101Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-11-05 12:56:44.297SEDICI (UNLP) - Universidad Nacional de La Platafalse
dc.title.none.fl_str_mv Infrared spectroscopy as an alternative methodology to evaluate the effect of structural features on the physical-chemical properties of inulins
title Infrared spectroscopy as an alternative methodology to evaluate the effect of structural features on the physical-chemical properties of inulins
spellingShingle Infrared spectroscopy as an alternative methodology to evaluate the effect of structural features on the physical-chemical properties of inulins
Romano, Nelson Gastón
Química
Inulin
Infrared spectroscopy
Multivariate analysis
Amorphous and crystalline states
Melting temperature
X-ray diffraction
Differential scanning calorimetry
title_short Infrared spectroscopy as an alternative methodology to evaluate the effect of structural features on the physical-chemical properties of inulins
title_full Infrared spectroscopy as an alternative methodology to evaluate the effect of structural features on the physical-chemical properties of inulins
title_fullStr Infrared spectroscopy as an alternative methodology to evaluate the effect of structural features on the physical-chemical properties of inulins
title_full_unstemmed Infrared spectroscopy as an alternative methodology to evaluate the effect of structural features on the physical-chemical properties of inulins
title_sort Infrared spectroscopy as an alternative methodology to evaluate the effect of structural features on the physical-chemical properties of inulins
dc.creator.none.fl_str_mv Romano, Nelson Gastón
Araujo Andrade, Cuauhtémoc
Lecot, Carlos Javier
Mobili, Pablo
Gómez-Zavaglia, Andrea
author Romano, Nelson Gastón
author_facet Romano, Nelson Gastón
Araujo Andrade, Cuauhtémoc
Lecot, Carlos Javier
Mobili, Pablo
Gómez-Zavaglia, Andrea
author_role author
author2 Araujo Andrade, Cuauhtémoc
Lecot, Carlos Javier
Mobili, Pablo
Gómez-Zavaglia, Andrea
author2_role author
author
author
author
dc.subject.none.fl_str_mv Química
Inulin
Infrared spectroscopy
Multivariate analysis
Amorphous and crystalline states
Melting temperature
X-ray diffraction
Differential scanning calorimetry
topic Química
Inulin
Infrared spectroscopy
Multivariate analysis
Amorphous and crystalline states
Melting temperature
X-ray diffraction
Differential scanning calorimetry
dc.description.none.fl_txt_mv Two types of inulins of different composition were investigated in the glassy and in the crystalline states, at relative humidities within 11 and 97%. The melting and glass transition temperatures (Tm, Tg), and their crystallinity indexes (CI) were determined by modulated differential-scanning calorimetry (MDSC) and wide-angle X-ray scattering (WAXS), respectively. In parallel assays, Fourier transform-infrared spectroscopy (FTIR) coupled to principal component analysis (PCA) enabled a physical-chemical and structural characterization of samples, explaining 90% of the total variance. Finally, partial least square (PLS) models were defined to determine Tg, Tm, and CI directly from the FTIR spectra, using the MDSC and WAXS results as reference methods. In all cases, the mean of predicted values fitted very well those of the reference methods (R2 > 0.961), thus supporting the use of the PLS models to investigate unknown samples. The robustness of the models underlines the usefulness of FTIR to easily determine physical-chemical parameters, otherwise requiring complex preparation of samples and prolonged times of analysis.
Centro de Investigación y Desarrollo en Criotecnología de Alimentos
description Two types of inulins of different composition were investigated in the glassy and in the crystalline states, at relative humidities within 11 and 97%. The melting and glass transition temperatures (Tm, Tg), and their crystallinity indexes (CI) were determined by modulated differential-scanning calorimetry (MDSC) and wide-angle X-ray scattering (WAXS), respectively. In parallel assays, Fourier transform-infrared spectroscopy (FTIR) coupled to principal component analysis (PCA) enabled a physical-chemical and structural characterization of samples, explaining 90% of the total variance. Finally, partial least square (PLS) models were defined to determine Tg, Tm, and CI directly from the FTIR spectra, using the MDSC and WAXS results as reference methods. In all cases, the mean of predicted values fitted very well those of the reference methods (R2 > 0.961), thus supporting the use of the PLS models to investigate unknown samples. The robustness of the models underlines the usefulness of FTIR to easily determine physical-chemical parameters, otherwise requiring complex preparation of samples and prolonged times of analysis.
publishDate 2018
dc.date.none.fl_str_mv 2018-03-10
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Articulo
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://sedici.unlp.edu.ar/handle/10915/87101
url http://sedici.unlp.edu.ar/handle/10915/87101
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/issn/0963-9969
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.foodres.2018.04.032
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by-nd/4.0/
Creative Commons Attribution-NoDerivatives 4.0 International (CC BY-ND 4.0)
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by-nd/4.0/
Creative Commons Attribution-NoDerivatives 4.0 International (CC BY-ND 4.0)
dc.format.none.fl_str_mv application/pdf
223-231
dc.source.none.fl_str_mv reponame:SEDICI (UNLP)
instname:Universidad Nacional de La Plata
instacron:UNLP
reponame_str SEDICI (UNLP)
collection SEDICI (UNLP)
instname_str Universidad Nacional de La Plata
instacron_str UNLP
institution UNLP
repository.name.fl_str_mv SEDICI (UNLP) - Universidad Nacional de La Plata
repository.mail.fl_str_mv alira@sedici.unlp.edu.ar
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score 13.084122

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