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Nuevas estrategias analíticas para el análisis de muestras de composición compleja basadas en generación y modelado de datos multidimensionales

Mirta Raquel Alcaraz Héctor Casimiro Goicoechea Graciela Mónica Escandar María Alejandra Maine María Fernanda Silva

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Resumen/Descripción – provisto por el repositorio digital
In this work, different strategies for multidimensional data generation were evaluated, and potentialities of chemometrics algorithms were explored for the analysis of complex samples. Analytical methods were developed for descriptive and predictive studies of several chemical systems, by combination of different analytical techniques with chemometric data modelling. Two analytical methods were developed for the determination of emergent contaminants in water, including an analyte-itrium based system by using chromatographic resolution coupled to fluorescence detection and a capillary electrophoresis with UV detection methodology. Furthermore, an analytical method based on flow injection analysis was proposed for the determination of doxorubicin in human plasma. On another hand, a new methodology by using an EC-QCL laser as light source was developed for mid-IR transmission measurements of macromolecules. Alcohol presence and temperature effects were evaluated on a model protein and polypeptide, respectively. The temperature effect was also evaluated by using circular dichroism. Chemometrics algorithms for second-order data modelling, such as MCR-ALS, allowed the resolution of mixture analysis problems, reaching chemical-conformational information on macromolecules behaviour. Finally, 3 analytical strategies for third-order data generation were analysed. These were based on a chromatographic procedure coupled to detection excitation-emission fluorescence matrices. Instrument requirements were evaluated and a detailed analysis of the generated data was performed, evaluating the complexity of the analysis considering the data pre-processing and the data processing.
Palabras clave – provistas por el repositorio digital

Chemometrics; Pharmaceuticals; Multivariate calibration; Descriptive analysis; Emergents contaminants; Macromolecules conformation; Quimiometría; Fármacos; Calibración multivariada; Análisis descriptivo; Contaminantes emergentes; Conformación de macromoléculas

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No requiere 2016 Biblioteca Virtual de la Universidad Nacional del Litoral (SNRD) acceso abierto

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Tipo de recurso:

tesis

Idiomas de la publicación

  • español castellano

País de edición

Argentina

Fecha de publicación