https://hdl.handle.net/10259/4249 2026-04-19T15:41:43Z https://hdl.handle.net/10259/11285 Metodología de diseño de experimentos en Trabajos Fin de Grado, Trabajos Fin de Máster y Prácticum Herrero Gutiérrez, Ana; Reguera Alonso, Celia; Sanllorente Méndez, Silvia; Palmero Díaz, Susana; Ortiz Fernández, Mª Cruz; Sánchez Pastor, Mª Sagrario; Sarabia Peinador, Luis Antonio La metodología del diseño de experimentos proporciona herramientas conceptuales y metodológicas de gran utilidad para el desarrollo de Trabajos Fin de Grado y Trabajos Fin de Máster. En este trabajo se muestran algunos ejemplos de la aplicación de dicha metodología en los grados de Química y Ciencia y Tecnología de los Alimentos, así como en los másteres de Química Avanzada y Seguridad y Biotecnología Alimentaria, que se imparten actualmente en la Facultad de Ciencias de la Universidad de Burgos. 2022-03-01T00:00:00Z https://hdl.handle.net/10259/11251 Exploring Environmental Element Monitoring Data Using Chemometric Techniques: A Practical Case Study from the Tremiti Islands (Italy) Russo, Raffaele Emanuele; Fattobene, Martina; Zamponi, Silvia; Conti, Paolo; Herrero Gutiérrez, Ana; Berrettoni, Mario Environmental element monitoring is essential for assessing environmental quality, identifying pollution sources, evaluating ecological risks, and understanding long-term contamination trends. Modern monitoring campaigns routinely generate large volumes of complex data that require advanced analytical strategies. This study applied chemometric techniques to analyze elements and BVOCs (biogenic volatile organic compounds) measured from Posidonia oceanica and related environmental matrices (seawater, sediment, and rhizomes) during three sampling campaigns in the Tremiti Islands (Italy). Twenty-two trace elements were quantified, and BVOC profiles were obtained from the leaf samples. The dataset was analyzed using a combination of univariate visualizations, unsupervised and supervised multivariate techniques, and multi-way methods. PCA (Principal Component Analysis) and PLS-DA (Partial Least Squares-Discriminant Analysis) revealed distinct spatial (leaf section) and temporal (sampling period) trends, supported by consistent elemental markers. A low-level data fusion approach integrating BVOC and element data improved group discrimination and interpretability. PARAFAC (PARAllel FACtor analysis) applied to a three-way array successfully separated background trends from meaningful compositional changes, uncovering latent structures across chemical, spatial, and temporal dimensions. This work illustrates the usefulness of chemometrics in environmental monitoring and the effectiveness of combining multivariate tools and data fusion to improve the interpretability of complex environmental datasets. The methodology used in this study is fully generalizable and applicable to other environmental multi-way datasets. 2026-01-01T00:00:00Z https://hdl.handle.net/10259/11248 Quality of Analytical Measurements: Statistical Methods for Internal Validation Ortiz Fernández, Mª Cruz; Sarabia Peinador, Luis Antonio; Sánchez Pastor, Mª Sagrario; Herrero Gutiérrez, Ana Any aspect of the contemporary social activity is somehow supported in the analytical measurements. The cost of these measurements is high, but the cost of the decisions made based on incorrect results is much greater. For example, a test that wrongly shows the presence of a forbidden substance in a food destined for human consumption can result in an expensive claim. Thus, it is important to provide a correct result, but it is equally important to be able to prove that the result is correct. This article focuses on statistical evaluation of data in the context of validation of a method to show what information can, or cannot, be extracted from the experimental results. 2020-01-01T00:00:00Z https://hdl.handle.net/10259/10860 Design of Experiments Approach for Efficient Heavy Metals Stabilization Using Metakaolin-Based Geopolymers Russo, Raffaele Emanuele; Santoni, Elisa; Fattobene, Martina; Giovini, Mattia; Genua, Francesco; Leonelli, Cristina; Lancellotti, Isabella; Herrero Gutiérrez, Ana; Berrettoni, Mario Alkali-activated aluminosilicate matrices are increasingly studied for their ability to stabilize hazardous metal contaminants via alkali activation at room temperature. In this study, metakaolin-based geopolymers were used to immobilize chromium and nickel salts, with systematic variation of key synthesis parameters, Na/Al molar ratio, metal concentration, anion type, and alkaline solution aging time, which have not been previously studied. A Design of Experiments approach was employed to study the effect of factors on metal leaching behavior and to better understand the underlying immobilization mechanisms. The analysis revealed that higher Na/Al ratios significantly enhance geopolymerization and reduce metal release, as supported by FTIR spectral shifts and decreased shoulder intensity. Notably, aging time had an influence on chromium behavior due to its effect on early silicate network formation, which can hinder the incorporation of chromium species. All tested formulations achieved metal immobilization rates of 98.8% or higher for both chromium and nickel. Overall, this study advances our understanding of geopolymer-based heavy metal immobilization. 2025-08-01T00:00:00Z