Evaluation of photo-induced crosslinking of thymine polymers using FT-IR spectroscopy and chemometric analysis

Autores
Bortolato, Santiago Andres; Thomas, Katelyn; Mcdonough, Kristin; Gurney, Richard; Martino, Debora Marcela
Año de publicación
2012
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The photo-induced immobilization of 4-vinylbenzyl thymine (VBT) and 4-vinylbenzyl triethyl ammonium chloride (VBA) copolymers has been investigated with the aid of grazing-angle specular-reflectance FT-IR spectroscopy. As irradiation time increases, changes in the structure of pendent thymine groups in the copolymer due to the crosslinking process result in shifts of the copolymer network’s vibrational frequencies, as well as changes in numerous IR band intensities. In this work, chemometric methods have been applied to the FT-IR data obtained while monitoring the time evolution of curing of VBT-VBA copolymers of varying composition. The spectral data obtained with FT-IR normally provide information only about the degree of conversion of the reactants in the final product but there is no knowledge about how many compounds are involved or how they evolve over time. The use of the so-called Multivariate Curve Resolution-Alternating Least Squares allows the sequential estimation of the contribution to the signal due to the different species in the matrix data.
Fil: Bortolato, Santiago Andres. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina
Fil: Thomas, Katelyn. Simmons College; Estados Unidos
Fil: Mcdonough, Kristin. Simmons College; Estados Unidos
Fil: Gurney, Richard. Simmons College; Estados Unidos
Fil: Martino, Debora Marcela. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina
Materia
BIOPOLYMER
FT-IR SPECTROSCOPY
MULTIVARIATE ANALYSIS
CHEMOMETRICS
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/18772
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Evaluation of photo-induced crosslinking of thymine polymers using FT-IR spectroscopy and chemometric analysisBortolato, Santiago AndresThomas, KatelynMcdonough, KristinGurney, RichardMartino, Debora MarcelaBIOPOLYMERFT-IR SPECTROSCOPYMULTIVARIATE ANALYSISCHEMOMETRICShttps://purl.org/becyt/ford/2.4https://purl.org/becyt/ford/2The photo-induced immobilization of 4-vinylbenzyl thymine (VBT) and 4-vinylbenzyl triethyl ammonium chloride (VBA) copolymers has been investigated with the aid of grazing-angle specular-reflectance FT-IR spectroscopy. As irradiation time increases, changes in the structure of pendent thymine groups in the copolymer due to the crosslinking process result in shifts of the copolymer network’s vibrational frequencies, as well as changes in numerous IR band intensities. In this work, chemometric methods have been applied to the FT-IR data obtained while monitoring the time evolution of curing of VBT-VBA copolymers of varying composition. The spectral data obtained with FT-IR normally provide information only about the degree of conversion of the reactants in the final product but there is no knowledge about how many compounds are involved or how they evolve over time. The use of the so-called Multivariate Curve Resolution-Alternating Least Squares allows the sequential estimation of the contribution to the signal due to the different species in the matrix data.Fil: Bortolato, Santiago Andres. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; ArgentinaFil: Thomas, Katelyn. Simmons College; Estados UnidosFil: Mcdonough, Kristin. Simmons College; Estados UnidosFil: Gurney, Richard. Simmons College; Estados UnidosFil: Martino, Debora Marcela. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; ArgentinaElsevier2012-09info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/18772Bortolato, Santiago Andres; Thomas, Katelyn; Mcdonough, Kristin; Gurney, Richard; Martino, Debora Marcela; Evaluation of photo-induced crosslinking of thymine polymers using FT-IR spectroscopy and chemometric analysis; Elsevier; Polymer; 53; 23; 9-2012; 5285-52940032-3861CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.polymer.2012.09.007info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0032386112007641?via%3Dihubinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:47:53Zoai:ri.conicet.gov.ar:11336/18772instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-03 09:47:54.277CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Evaluation of photo-induced crosslinking of thymine polymers using FT-IR spectroscopy and chemometric analysis
title Evaluation of photo-induced crosslinking of thymine polymers using FT-IR spectroscopy and chemometric analysis
spellingShingle Evaluation of photo-induced crosslinking of thymine polymers using FT-IR spectroscopy and chemometric analysis
Bortolato, Santiago Andres
BIOPOLYMER
FT-IR SPECTROSCOPY
MULTIVARIATE ANALYSIS
CHEMOMETRICS
title_short Evaluation of photo-induced crosslinking of thymine polymers using FT-IR spectroscopy and chemometric analysis
title_full Evaluation of photo-induced crosslinking of thymine polymers using FT-IR spectroscopy and chemometric analysis
title_fullStr Evaluation of photo-induced crosslinking of thymine polymers using FT-IR spectroscopy and chemometric analysis
title_full_unstemmed Evaluation of photo-induced crosslinking of thymine polymers using FT-IR spectroscopy and chemometric analysis
title_sort Evaluation of photo-induced crosslinking of thymine polymers using FT-IR spectroscopy and chemometric analysis
dc.creator.none.fl_str_mv Bortolato, Santiago Andres
Thomas, Katelyn
Mcdonough, Kristin
Gurney, Richard
Martino, Debora Marcela
author Bortolato, Santiago Andres
author_facet Bortolato, Santiago Andres
Thomas, Katelyn
Mcdonough, Kristin
Gurney, Richard
Martino, Debora Marcela
author_role author
author2 Thomas, Katelyn
Mcdonough, Kristin
Gurney, Richard
Martino, Debora Marcela
author2_role author
author
author
author
dc.subject.none.fl_str_mv BIOPOLYMER
FT-IR SPECTROSCOPY
MULTIVARIATE ANALYSIS
CHEMOMETRICS
topic BIOPOLYMER
FT-IR SPECTROSCOPY
MULTIVARIATE ANALYSIS
CHEMOMETRICS
purl_subject.fl_str_mv https://purl.org/becyt/ford/2.4
https://purl.org/becyt/ford/2
dc.description.none.fl_txt_mv The photo-induced immobilization of 4-vinylbenzyl thymine (VBT) and 4-vinylbenzyl triethyl ammonium chloride (VBA) copolymers has been investigated with the aid of grazing-angle specular-reflectance FT-IR spectroscopy. As irradiation time increases, changes in the structure of pendent thymine groups in the copolymer due to the crosslinking process result in shifts of the copolymer network’s vibrational frequencies, as well as changes in numerous IR band intensities. In this work, chemometric methods have been applied to the FT-IR data obtained while monitoring the time evolution of curing of VBT-VBA copolymers of varying composition. The spectral data obtained with FT-IR normally provide information only about the degree of conversion of the reactants in the final product but there is no knowledge about how many compounds are involved or how they evolve over time. The use of the so-called Multivariate Curve Resolution-Alternating Least Squares allows the sequential estimation of the contribution to the signal due to the different species in the matrix data.
Fil: Bortolato, Santiago Andres. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina
Fil: Thomas, Katelyn. Simmons College; Estados Unidos
Fil: Mcdonough, Kristin. Simmons College; Estados Unidos
Fil: Gurney, Richard. Simmons College; Estados Unidos
Fil: Martino, Debora Marcela. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina
description The photo-induced immobilization of 4-vinylbenzyl thymine (VBT) and 4-vinylbenzyl triethyl ammonium chloride (VBA) copolymers has been investigated with the aid of grazing-angle specular-reflectance FT-IR spectroscopy. As irradiation time increases, changes in the structure of pendent thymine groups in the copolymer due to the crosslinking process result in shifts of the copolymer network’s vibrational frequencies, as well as changes in numerous IR band intensities. In this work, chemometric methods have been applied to the FT-IR data obtained while monitoring the time evolution of curing of VBT-VBA copolymers of varying composition. The spectral data obtained with FT-IR normally provide information only about the degree of conversion of the reactants in the final product but there is no knowledge about how many compounds are involved or how they evolve over time. The use of the so-called Multivariate Curve Resolution-Alternating Least Squares allows the sequential estimation of the contribution to the signal due to the different species in the matrix data.
publishDate 2012
dc.date.none.fl_str_mv 2012-09
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
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://hdl.handle.net/11336/18772
Bortolato, Santiago Andres; Thomas, Katelyn; Mcdonough, Kristin; Gurney, Richard; Martino, Debora Marcela; Evaluation of photo-induced crosslinking of thymine polymers using FT-IR spectroscopy and chemometric analysis; Elsevier; Polymer; 53; 23; 9-2012; 5285-5294
0032-3861
CONICET Digital
CONICET
url http://hdl.handle.net/11336/18772
identifier_str_mv Bortolato, Santiago Andres; Thomas, Katelyn; Mcdonough, Kristin; Gurney, Richard; Martino, Debora Marcela; Evaluation of photo-induced crosslinking of thymine polymers using FT-IR spectroscopy and chemometric analysis; Elsevier; Polymer; 53; 23; 9-2012; 5285-5294
0032-3861
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1016/j.polymer.2012.09.007
info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0032386112007641?via%3Dihub
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
_version_ 1842268889389465600
score 13.13397

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