Universidad de Burgos RIUBU Principal Default Universidad de Burgos RIUBU Principal Default
  • español
  • English
  • français
  • Deutsch
  • português (Brasil)
  • italiano
Universidad de Burgos RIUBU Principal Default
  • Ayuda
  • Contacto
  • Sugerencias
  • Acceso abierto
    • Archivar en RIUBU
    • Acuerdos editoriales para la publicación en acceso abierto
    • Controla tus derechos, facilita el acceso abierto
    • Sobre el acceso abierto y la UBU
    • español
    • English
    • français
    • Deutsch
    • português (Brasil)
    • italiano
    • español
    • English
    • français
    • Deutsch
    • português (Brasil)
    • italiano
    JavaScript is disabled for your browser. Some features of this site may not work without it.

    Listar

    Todo RIUBUComunidadesFechaAutor / DirectorTítuloMateria / AsignaturaEsta colecciónFechaAutor / DirectorTítuloMateria / Asignatura

    Mi cuenta

    AccederRegistro

    Estadísticas

    Ver Estadísticas de uso

    Compartir

    Ver ítem 
    •   RIUBU Principal
    • E-Prints y Datos de investigación
    • Grupos de investigación
    • Quimiometría y Cualimetría (Q&C)
    • Artículos Q&C
    • Ver ítem
    •   RIUBU Principal
    • E-Prints y Datos de investigación
    • Grupos de investigación
    • Quimiometría y Cualimetría (Q&C)
    • Artículos Q&C
    • Ver ítem

    Por favor, use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10259/5632

    Título
    Partial least squares model inversion in the chromatographic determination of triazines in water
    Autor
    Ortiz Fernández, Mª CruzAutoridad UBU Orcid
    Sarabia Peinador, Luis AntonioAutoridad UBU Orcid
    Herrero Gutiérrez, AnaAutoridad UBU Orcid
    Reguera Alonso, CeliaAutoridad UBU Orcid
    Sanllorente Méndez, SilviaAutoridad UBU Orcid
    Arce Antón, MarAutoridad UBU Orcid
    Valencia García, OlgaAutoridad UBU Orcid
    Ruiz Miguel, SantiagoAutoridad UBU Orcid
    Sánchez Pastor, Mª SagrarioAutoridad UBU Orcid
    Publicado en
    Microchemical Journal. 2021, V. 164, 105971
    Editorial
    Elsevier
    Fecha de publicación
    2021
    ISSN
    0026-265X
    DOI
    10.1016/j.microc.2021.105971
    Resumen
    Inside the framework of Analytical Quality by Design, a model-based approach has been developed and used to identify operating conditions (control method parameters) related to the composition and flow rate of the mobile phase for a liquid chromatographic determination with preset quality characteristics. The approach starts by defining these desired characteristics of the intended chromatogram (proper resolution for consecutive peaks and short time of analysis) and then looking for the needed control method parameters via inversion of a Partial Least Squares (PLS) prediction model. The procedure has been applied to the determination of eight triazines (simazine, simetryn, atrazine, ametryn, propazine, terbuthylazine, prometryn and terbutryn) in surface waters by means of SPE-HPLC-DAD. These triazines either are forbidden or have a maximum allowable limit due to their potential toxicity. The experimental verification of the selected parameters showed that the experimental results were significantly equal to those predicted. Besides, the validation of the developed method allowed concluding that accuracy was fulfilled for the eight triazines and there was not bias. With a probability of false positive equal to 0.05, CCβ was less than 3 µg L−1 for every triazine, except for simazine and terbutryn, which was less than 6 µg L−1 being the probability of false negative less than 10-6. No triazine was found, above their maximum allowable concentration, in any of the samples of surface water picked at fifteen different locations, mostly from streams and the Arlanzón river, near Burgos (Spain).
    Palabras clave
    PLS inversion
    HPLC-DAD
    Product design
    Analytical Quality by Design
    Triazines
    Surface water
    Materia
    Química analítica
    Chemistry, Analytic
    URI
    http://hdl.handle.net/10259/5632
    Versión del editor
    https://doi.org/10.1016/j.microc.2021.105971
    Aparece en las colecciones
    • Artículos Q&C
    Attribution-NonCommercial-NoDerivatives 4.0 Internacional
    Documento(s) sujeto(s) a una licencia Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 Internacional
    Ficheros en este ítem
    Nombre:
    Ortiz-Mj_2021.pdf
    Tamaño:
    2.015Mb
    Formato:
    Adobe PDF
    Thumbnail
    Visualizar/Abrir

    Métricas

    Citas

    Academic Search
    Ver estadísticas de uso

    Exportar

    RISMendeleyRefworksZotero
    • edm
    • marc
    • xoai
    • qdc
    • ore
    • ese
    • dim
    • uketd_dc
    • oai_dc
    • etdms
    • rdf
    • mods
    • mets
    • didl
    • premis
    Mostrar el registro completo del ítem