Developing and Implementing an R Shiny Application to Introduce Multivariate Calibration to Advanced Undergraduate Students

Autores
Antonelli, Tomás; Olivieri, Alejandro Cesar
Año de publicación
2020
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
During a short chemometrics course in the seventh semester of the chemistry undergraduate program, students receive a brief theoretical introduction to multivariate calibration, focused on partial least-squares regression as the most commonly employed data processing tool. The theory is complemented with the use of MVC1_R, an easy-to-use software developed in-house as an R Shiny application. The present report describes student activities with the latter software in the development of mathematical models to predict quality parameters of corn seeds from near-infrared spectra. Subsequently, an experimental project is carried out involving near-infrared spectral measurements, which are widely used in several industrial fields for quality control. To process the obtained data, students apply the knowledge acquired during the theoretical/software sessions.
Fil: Antonelli, Tomás. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Química Rosario. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario; Argentina. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Departamento de Química Analítica; Argentina
Fil: Olivieri, Alejandro Cesar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Química Rosario. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario; Argentina. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Departamento de Química Analítica; Argentina
Materia
ANALYTICAL CHEMISTRY
CALIBRATION
CHEMOMETRICS
COMPUTER-BASED LEARNING
GRADUATE EDUCATION/RESEARCH
IR SPECTROSCOPY
UPPER-DIVISION UNDERGRADUATE
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:11336/127050
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/127050
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Developing and Implementing an R Shiny Application to Introduce Multivariate Calibration to Advanced Undergraduate StudentsAntonelli, TomásOlivieri, Alejandro CesarANALYTICAL CHEMISTRYCALIBRATIONCHEMOMETRICSCOMPUTER-BASED LEARNINGGRADUATE EDUCATION/RESEARCHIR SPECTROSCOPYUPPER-DIVISION UNDERGRADUATEhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1During a short chemometrics course in the seventh semester of the chemistry undergraduate program, students receive a brief theoretical introduction to multivariate calibration, focused on partial least-squares regression as the most commonly employed data processing tool. The theory is complemented with the use of MVC1_R, an easy-to-use software developed in-house as an R Shiny application. The present report describes student activities with the latter software in the development of mathematical models to predict quality parameters of corn seeds from near-infrared spectra. Subsequently, an experimental project is carried out involving near-infrared spectral measurements, which are widely used in several industrial fields for quality control. To process the obtained data, students apply the knowledge acquired during the theoretical/software sessions.Fil: Antonelli, Tomás. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Química Rosario. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario; Argentina. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Departamento de Química Analítica; ArgentinaFil: Olivieri, Alejandro Cesar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Química Rosario. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario; Argentina. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Departamento de Química Analítica; ArgentinaAmerican Chemical Society2020-04info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/127050Antonelli, Tomás; Olivieri, Alejandro Cesar; Developing and Implementing an R Shiny Application to Introduce Multivariate Calibration to Advanced Undergraduate Students; American Chemical Society; Journal of Chemical Education; 97; 4; 4-2020; 1176-11800021-9584CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/acs.jchemed.9b00850info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.jchemed.9b00850info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:41:19Zoai:ri.conicet.gov.ar:11336/127050instacron: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:34982025-09-29 10:41:19.426CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Developing and Implementing an R Shiny Application to Introduce Multivariate Calibration to Advanced Undergraduate Students
title Developing and Implementing an R Shiny Application to Introduce Multivariate Calibration to Advanced Undergraduate Students
spellingShingle Developing and Implementing an R Shiny Application to Introduce Multivariate Calibration to Advanced Undergraduate Students
Antonelli, Tomás
ANALYTICAL CHEMISTRY
CALIBRATION
CHEMOMETRICS
COMPUTER-BASED LEARNING
GRADUATE EDUCATION/RESEARCH
IR SPECTROSCOPY
UPPER-DIVISION UNDERGRADUATE
title_short Developing and Implementing an R Shiny Application to Introduce Multivariate Calibration to Advanced Undergraduate Students
title_full Developing and Implementing an R Shiny Application to Introduce Multivariate Calibration to Advanced Undergraduate Students
title_fullStr Developing and Implementing an R Shiny Application to Introduce Multivariate Calibration to Advanced Undergraduate Students
title_full_unstemmed Developing and Implementing an R Shiny Application to Introduce Multivariate Calibration to Advanced Undergraduate Students
title_sort Developing and Implementing an R Shiny Application to Introduce Multivariate Calibration to Advanced Undergraduate Students
dc.creator.none.fl_str_mv Antonelli, Tomás
Olivieri, Alejandro Cesar
author Antonelli, Tomás
author_facet Antonelli, Tomás
Olivieri, Alejandro Cesar
author_role author
author2 Olivieri, Alejandro Cesar
author2_role author
dc.subject.none.fl_str_mv ANALYTICAL CHEMISTRY
CALIBRATION
CHEMOMETRICS
COMPUTER-BASED LEARNING
GRADUATE EDUCATION/RESEARCH
IR SPECTROSCOPY
UPPER-DIVISION UNDERGRADUATE
topic ANALYTICAL CHEMISTRY
CALIBRATION
CHEMOMETRICS
COMPUTER-BASED LEARNING
GRADUATE EDUCATION/RESEARCH
IR SPECTROSCOPY
UPPER-DIVISION UNDERGRADUATE
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv During a short chemometrics course in the seventh semester of the chemistry undergraduate program, students receive a brief theoretical introduction to multivariate calibration, focused on partial least-squares regression as the most commonly employed data processing tool. The theory is complemented with the use of MVC1_R, an easy-to-use software developed in-house as an R Shiny application. The present report describes student activities with the latter software in the development of mathematical models to predict quality parameters of corn seeds from near-infrared spectra. Subsequently, an experimental project is carried out involving near-infrared spectral measurements, which are widely used in several industrial fields for quality control. To process the obtained data, students apply the knowledge acquired during the theoretical/software sessions.
Fil: Antonelli, Tomás. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Química Rosario. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario; Argentina. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Departamento de Química Analítica; Argentina
Fil: Olivieri, Alejandro Cesar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Química Rosario. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario; Argentina. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Departamento de Química Analítica; Argentina
description During a short chemometrics course in the seventh semester of the chemistry undergraduate program, students receive a brief theoretical introduction to multivariate calibration, focused on partial least-squares regression as the most commonly employed data processing tool. The theory is complemented with the use of MVC1_R, an easy-to-use software developed in-house as an R Shiny application. The present report describes student activities with the latter software in the development of mathematical models to predict quality parameters of corn seeds from near-infrared spectra. Subsequently, an experimental project is carried out involving near-infrared spectral measurements, which are widely used in several industrial fields for quality control. To process the obtained data, students apply the knowledge acquired during the theoretical/software sessions.
publishDate 2020
dc.date.none.fl_str_mv 2020-04
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/11336/127050
Antonelli, Tomás; Olivieri, Alejandro Cesar; Developing and Implementing an R Shiny Application to Introduce Multivariate Calibration to Advanced Undergraduate Students; American Chemical Society; Journal of Chemical Education; 97; 4; 4-2020; 1176-1180
0021-9584
CONICET Digital
CONICET
url http://hdl.handle.net/11336/127050
identifier_str_mv Antonelli, Tomás; Olivieri, Alejandro Cesar; Developing and Implementing an R Shiny Application to Introduce Multivariate Calibration to Advanced Undergraduate Students; American Chemical Society; Journal of Chemical Education; 97; 4; 4-2020; 1176-1180
0021-9584
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/acs.jchemed.9b00850
info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.jchemed.9b00850
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
dc.publisher.none.fl_str_mv American Chemical Society
publisher.none.fl_str_mv American Chemical Society
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
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score 13.070432

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