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dc.contributor.advisorGuerrero Dallos, Jairo Arturo
dc.creatorHuérfano Barco, Iván Mauricio
dc.date.accessioned2020-08-19T21:32:04Z
dc.date.available2020-08-19T21:32:04Z
dc.date.created2020-06-21
dc.identifier.urihttps://repositorio.unal.edu.co/handle/unal/78095
dc.descriptionEl presente trabajo contempló el desarrollo de un método para el análisis de 201 plaguicidas en frutas y hortalizas empleando cromatografía líquida acoplada a espectrometría de masas de alta resolución-orbitrap con el objetivo de brindar una herramienta para evaluar la calidad de los alimentos producidos y comercializados en Colombia. El análisis instrumental se optimizó para obtener la mayor sensibilidad y selectividad posible haciendo uso de herramientas estadísticas robustas y eficientes, como lo es el diseño de experimentos. El método que se desarrolló contempló tres estrategias de análisis distintas. La primera consistió en la validación de un método cualitativo (screening), el cual tuvo como objetivo principal realizar un análisis rápido para eliminar muestras negativas, y enfocarse en la confirmación de las muestras positivas. Este método demostró ser altamente selectivo y sensible, ya que obtuvo un bajo número de falsos positivos y permitió detectar la mayoría de los compuestos (94.5%) a concentraciones por debajo o iguales a su límite máximo permitido con un alto grado de confiabilidad. Como segunda estrategia se desarrolló y validó un método cuantitativo para determinar las concentraciones de los analitos presentes en las muestras positivas. El método cuantitativo demostró ser altamente selectivo y sensible al obtener límites de cuantificación menores o iguales al límite máximo de residuos para la mayoría de los compuestos validados (92%). También este demostró ser veraz y preciso al obtener porcentajes de recuperación aceptables y coeficientes de variación por debajo del 20% a las concentraciones evaluadas (0.01, 0.03 y 0.1 mg/kg).Por último, se implementó la estrategia de análisis de compuestos no objetivo o “non target”. Este método consistió en la búsqueda de compuestos presentes en una muestra de los cuales no hacen parte del alcance de la metodología. Esta estrategia se llevó a cabo a partir de una base de datos con la información de masa exacta, fragmentos y patrón isotópico para más de 600 moléculas. Esta estrategia resultó ser de gran utilidad ya que permitió identificar y estimar la concentración de compuestos que no se habían incluido en los métodos screening y cuantitativo. Gracias a la implementación de la espectrometría de masas de alta resolución se utilizaron estas estrategias en conjunto para crear un método altamente sensible, robusto y versátil para utilizarlo como una herramienta de control en la calidad de frutas y hortalizas de consumo nacional y de exportación.
dc.description.abstractThepresent work contemplated the development of a method for the analysis of 201 pesticides in fruits and vegetables using liquid chromatography coupled to high-resolution mass spectrometry-orbitrap to provide a tool to evaluate the quality of the food produced and marketed in Colombia. The instrumental analysis was optimized to obtain the greatest sensitivity and selectivity possible using robust and efficient statistical tools, such as design of experiments. The method developed had three different analysis strategies. The former consisted in the validation of a qualitative method (screening), which main objective was to do a quick analysis to get rid of negative samples, focusing on the confirmation of positive samples. This method proved to be highly selective and sensitive since it obtained a low number of false positives and allowed the detection of most of the compounds (94.5%) at a concentration corresponding to the maximum residue limit with a high degree of reliability. As a second strategy, a quantitative method was developed and validated to determine the concentrations of the analytes present in the positive samples. The quantitative method proved to be highly selective and sensitive by obtaining quantification limits equal or lower than the maximum residue limits for most of the validated compounds (92%). This one also proved to be accurate and precise obtaining acceptable recovery percentages and low coefficients of variation at the concentrations evaluated (0.01, 0.03 and 0.1 mg/kg). Finally, the strategy of non-target analysis was implemented. This approach consisted on the search of the compounds present in a sample which were not covered in the methodology’s scope. This strategy was executed using a database with the information of exact mass, fragments and isotopic pattern for more than 600 molecules. This strategy proved to be very useful since it allowed us to identify and estimate the concentration of compounds that had not been included in the screening and quantitative methods. Thanks to the implementation of high-resolution mass spectrometry, it was possible to use these strategies together to create a highly sensitive, robust and versatile method to be used as a tool in quality control of fruits and vegetables for domestic consumption and exportation.
dc.format.extent252
dc.format.mimetypeapplication/pdf
dc.language.isospa
dc.rights.urihttp://creativecommons.org/publicdomain/zero/1.0/
dc.subjectPlaguicidas
dc.subjectFrutas y hortalizas
dc.subjectValidación
dc.subjectCromatografía líquida
dc.subjectEspectrometría de masas
dc.subject.ddc540 - Química y ciencias afines
dc.titleDesarrollo y validación de una metodología para el análisis de residuos de plaguicidas en productos hortofrutícolas colombianos por cromatografía líquida acoplada a espectrometría de masas de alta resolución, Orbitrap
dc.typeOther
dc.rights.spaAcceso abierto
dc.contributor.institutionUniversidad Nacional de Colombia - Sede Bogotá
dc.subject.keywordPesticides
dc.subject.keywordFruits and vegetables
dc.subject.keywordValidation
dc.subject.keywordLiquid chromatography
dc.subject.keywordMass spectrometry
dc.type.spaOtro
dc.type.hasversionAccepted Version
dc.coverage.programDepartamento de Química
dc.contributor.gruplacResidualidad y Destino Ambiental de Plaguicidas en Sistemas Agricolas
dc.description.additionalLínea de Investigación: Química analítica
dc.coverage.modalityMaestria
dc.rights.accessRightsOpen Access
dc.rights.ccCC0 1.0 Universal
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