Articles producció científica> Química Analítica i Química Orgànica

ATR-MIR spectroscopy to predict commercial milk major components: A comparison between a handheld and a benchtop instrument

  • Datos identificativos

    Identificador: imarina:6285540
    Autores:
    Gorla, GiuliaMestres, MontserratBoque, RicardRiu, JordiSpanu, DavideGiussani, Barbara
    Resumen:
    There is a growing need of measurement technologies that can be used close to the sample source and optical spectroscopy is an excellent example of this genre of technology: from the lab to the field. This study investigates the possibility to quantify the major components and to detect the presence or absence of lactose in commercial milks with ATR-MIR spectroscopy. We explored the possibility to use a portable and economical ATR-MIR instrument, comparing the results with a benchtop system. Commercial milk samples from Italy, Switzerland and Spain were chosen covering the maximum range of variation for protein, carbohydrate and fat content. The analytical protocol was optimized to make it as fast and useable as possible for both instruments, from the sample pretreatment to the instrumental parameters. Multivariate calibration was used to correlate the recorded spectra to the content of the major milk components, while a classification was done in order to classify samples with or without lactose. A comparison was performed between the predictive capabilities of the models built with different data pretreatments, different variable selection methods and different validation systems to obtain the best results and to assure robust models.
  • Otros:

    Autor según el artículo: Gorla, Giulia; Mestres, Montserrat; Boque, Ricard; Riu, Jordi; Spanu, Davide; Giussani, Barbara;
    Departamento: Química Analítica i Química Orgànica
    Autor/es de la URV: Boqué Martí, Ricard / Giussani, Barbara / Mestres Solé, Maria Montserrat / RIU RUSELL, MARC
    Código de proyecto: CTQ2016-77128-R
    Palabras clave: Proteins determination in milk Milk major constituents Milk Fatty acids determination in milk Carbohydrates determination in milk Atr-mir
    Resumen: There is a growing need of measurement technologies that can be used close to the sample source and optical spectroscopy is an excellent example of this genre of technology: from the lab to the field. This study investigates the possibility to quantify the major components and to detect the presence or absence of lactose in commercial milks with ATR-MIR spectroscopy. We explored the possibility to use a portable and economical ATR-MIR instrument, comparing the results with a benchtop system. Commercial milk samples from Italy, Switzerland and Spain were chosen covering the maximum range of variation for protein, carbohydrate and fat content. The analytical protocol was optimized to make it as fast and useable as possible for both instruments, from the sample pretreatment to the instrumental parameters. Multivariate calibration was used to correlate the recorded spectra to the content of the major milk components, while a classification was done in order to classify samples with or without lactose. A comparison was performed between the predictive capabilities of the models built with different data pretreatments, different variable selection methods and different validation systems to obtain the best results and to assure robust models.
    Áreas temáticas: Statistics & probability Spectroscopy Software Robotics & automatic control Química Process chemistry and technology Mathematics, interdisciplinary applications Matemática / probabilidade e estatística Interdisciplinar Instruments & instrumentation Farmacia Engenharias iv Engenharias iii Engenharias ii Computer science, artificial intelligence Computer science applications Ciências ambientais Ciências agrárias i Ciência de alimentos Ciência da computação Chemistry, analytical Biotecnología Automation & control systems Analytical chemistry
    Acceso a la licencia de uso: https://creativecommons.org/licenses/by/3.0/es/
    ISSN: 01697439
    Direcció de correo del autor: barbara.giussani@urv.cat ricard.boque@urv.cat montserrat.mestres@urv.cat
    Identificador del autor: 0000-0001-7311-4824 0000-0001-9805-3482
    Fecha de alta del registro: 2023-12-16
    Versión del articulo depositado: info:eu-repo/semantics/acceptedVersion
    Programa de financiación: Programa Estatal de Investigación, Desarrollo e Innovación Orientada a los Retos de la Sociedad (Agencia Estatal de Investigación - Ministerio de Economía, Industria y Competitividad)
    Referencia al articulo segun fuente origial: Chemometrics And Intelligent Laboratory Systems. 200 (103995):
    Referencia de l'ítem segons les normes APA: Gorla, Giulia; Mestres, Montserrat; Boque, Ricard; Riu, Jordi; Spanu, Davide; Giussani, Barbara; (2020). ATR-MIR spectroscopy to predict commercial milk major components: A comparison between a handheld and a benchtop instrument. Chemometrics And Intelligent Laboratory Systems, 200(103995), -. DOI: 10.1016/j.chemolab.2020.103995
    URL Documento de licencia: https://repositori.urv.cat/ca/proteccio-de-dades/
    Acrónimo: HOMESENS
    Entidad: Universitat Rovira i Virgili
    Año de publicación de la revista: 2020
    Acción del progama de financiación: Proyecto de I+D
    Tipo de publicación: Journal Publications
  • Palabras clave:

    Analytical Chemistry,Automation & Control Systems,Chemistry, Analytical,Computer Science Applications,Computer Science, Artificial Intelligence,Instruments & Instrumentation,Mathematics, Interdisciplinary Applications,Process Chemistry and Technology,Robotics & Automatic Control,Software,Spectroscopy,Statistics & Probability
    Proteins determination in milk
    Milk major constituents
    Milk
    Fatty acids determination in milk
    Carbohydrates determination in milk
    Atr-mir
    Statistics & probability
    Spectroscopy
    Software
    Robotics & automatic control
    Química
    Process chemistry and technology
    Mathematics, interdisciplinary applications
    Matemática / probabilidade e estatística
    Interdisciplinar
    Instruments & instrumentation
    Farmacia
    Engenharias iv
    Engenharias iii
    Engenharias ii
    Computer science, artificial intelligence
    Computer science applications
    Ciências ambientais
    Ciências agrárias i
    Ciência de alimentos
    Ciência da computação
    Chemistry, analytical
    Biotecnología
    Automation & control systems
    Analytical chemistry
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