The present Ph.D. thesis, primarily conceived to support and reinforce the relation between academic and industrial worlds, was developed in collaboration with Shell Global Solutions (Amsterdam, The Netherlands) in the endeavour of applying and possibly extending well-established latent variable-based approaches (i.e. Principal Component Analysis - PCA - Partial Least Squares regression - PLS - or Partial Least Squares Discriminant Analysis - PLSDA) for complex problem solving not only in the fields of manufacturing troubleshooting and optimisation, but also in the wider environment of multivariate data analysis. To this end, novel efficient algorithmic solutions are proposed throughout all chapters to address very disparate tasks, from calibration transfer in spectroscopy to real-time modelling of streaming flows of data. The manuscript is divided into the following six parts, focused on various topics of interest: Part I - Preface, where an overview of this research work, its main aims and justification is given together with a brief introduction on PCA, PLS and PLSDA; Part II - On kernel-based extensions of PCA, PLS and PLSDA, where the potential of kernel techniques, possibly coupled to specific variants of the recently rediscovered pseudo-sample projection, formulated by the English statistician John C. Gower, is explored and their performance compared to that of more classical methodologies in four different applications scenarios: segmentation of Red-Green-Blue (RGB) images, discrimination of on-/off-specification batch runs, monitoring of batch processes and analysis of mixture designs of experiments; Part III - On the selection of the number of factors in PCA by permutation testing, where an extensive guideline on how to accomplish the selection of PCA components by permutation testing is provided through the comprehensive illustration of an original algorithmic procedure implemented for such a purpose; Part IV - On modelling common and distinctive sources of variability in multi-set data analysis, where several practical aspects of two-block common and distinctive component analysis (carried out by methods like Simultaneous Component Analysis - SCA - DIStinctive and COmmon Simultaneous Component Analysis - DISCO-SCA - Adapted Generalised Singular Value Decomposition - Adapted GSVD - ECO-POWER, Canonical Correlation Analysis - CCA - and 2-block Orthogonal Projections to Latent Structures - O2PLS) are discussed, a new computational strategy for determining the number of common factors underlying two data matrices sharing the same row- or column-dimension is described, and two innovative approaches for calibration transfer between near-infrared spectrometers are presented; Part V - On the on-the-fly processing and modelling of continuous high-dimensional data streams, where a novel software system for rational handling of multi-channel measurements recorded in real time, the On-The-Fly Processing (OTFP) tool, is designed; Part VI - Epilogue, where final conclusions are drawn, future perspectives are delineated, and annexes are included. / La presente tesis doctoral, concebida principalmente para apoyar y reforzar la relación entre la academia y la industria, se desarrolló en colaboración con Shell Global Solutions (Amsterdam, Países Bajos) en el esfuerzo de aplicar y posiblemente extender los enfoques ya consolidados basados en variables latentes (es decir, Análisis de Componentes Principales - PCA - Regresión en Mínimos Cuadrados Parciales - PLS - o PLS discriminante - PLSDA) para la resolución de problemas complejos no sólo en los campos de mejora y optimización de procesos, sino también en el entorno más amplio del análisis de datos multivariados. Con este fin, en todos los capítulos proponemos nuevas soluciones algorítmicas eficientes para abordar tareas dispares, desde la transferencia de calibración en espectroscopia hasta el modelado en tiempo real de flujos de datos. El manuscrito se divide en las seis partes siguientes, centradas en diversos temas de interés: Parte I - Prefacio, donde presentamos un resumen de este trabajo de investigación, damos sus principales objetivos y justificaciones junto con una breve introducción sobre PCA, PLS y PLSDA; Parte II - Sobre las extensiones basadas en kernels de PCA, PLS y PLSDA, donde presentamos el potencial de las técnicas de kernel, eventualmente acopladas a variantes específicas de la recién redescubierta proyección de pseudo-muestras, formulada por el estadista inglés John C. Gower, y comparamos su rendimiento respecto a metodologías más clásicas en cuatro aplicaciones a escenarios diferentes: segmentación de imágenes Rojo-Verde-Azul (RGB), discriminación y monitorización de procesos por lotes y análisis de diseños de experimentos de mezclas; Parte III - Sobre la selección del número de factores en el PCA por pruebas de permutación, donde aportamos una guía extensa sobre cómo conseguir la selección de componentes de PCA mediante pruebas de permutación y una ilustración completa de un procedimiento algorítmico original implementado para tal fin; Parte IV - Sobre la modelización de fuentes de variabilidad común y distintiva en el análisis de datos multi-conjunto, donde discutimos varios aspectos prácticos del análisis de componentes comunes y distintivos de dos bloques de datos (realizado por métodos como el Análisis Simultáneo de Componentes - SCA - Análisis Simultáneo de Componentes Distintivos y Comunes - DISCO-SCA - Descomposición Adaptada Generalizada de Valores Singulares - Adapted GSVD - ECO-POWER, Análisis de Correlaciones Canónicas - CCA - y Proyecciones Ortogonales de 2 conjuntos a Estructuras Latentes - O2PLS). Presentamos a su vez una nueva estrategia computacional para determinar el número de factores comunes subyacentes a dos matrices de datos que comparten la misma dimensión de fila o columna y dos planteamientos novedosos para la transferencia de calibración entre espectrómetros de infrarrojo cercano; Parte V - Sobre el procesamiento y la modelización en tiempo real de flujos de datos de alta dimensión, donde diseñamos la herramienta de Procesamiento en Tiempo Real (OTFP), un nuevo sistema de manejo racional de mediciones multi-canal registradas en tiempo real; Parte VI - Epílogo, donde presentamos las conclusiones finales, delimitamos las perspectivas futuras, e incluimos los anexos. / La present tesi doctoral, concebuda principalment per a recolzar i reforçar la relació entre l'acadèmia i la indústria, es va desenvolupar en col·laboració amb Shell Global Solutions (Amsterdam, Països Baixos) amb l'esforç d'aplicar i possiblement estendre els enfocaments ja consolidats basats en variables latents (és a dir, Anàlisi de Components Principals - PCA - Regressió en Mínims Quadrats Parcials - PLS - o PLS discriminant - PLSDA) per a la resolució de problemes complexos no solament en els camps de la millora i optimització de processos, sinó també en l'entorn més ampli de l'anàlisi de dades multivariades. A aquest efecte, en tots els capítols proposem noves solucions algorítmiques eficients per a abordar tasques dispars, des de la transferència de calibratge en espectroscopia fins al modelatge en temps real de fluxos de dades. El manuscrit es divideix en les sis parts següents, centrades en diversos temes d'interès: Part I - Prefaci, on presentem un resum d'aquest treball de recerca, es donen els seus principals objectius i justificacions juntament amb una breu introducció sobre PCA, PLS i PLSDA; Part II - Sobre les extensions basades en kernels de PCA, PLS i PLSDA, on presentem el potencial de les tècniques de kernel, eventualment acoblades a variants específiques de la recentment redescoberta projecció de pseudo-mostres, formulada per l'estadista anglés John C. Gower, i comparem el seu rendiment respecte a metodologies més clàssiques en quatre aplicacions a escenaris diferents: segmentació d'imatges Roig-Verd-Blau (RGB), discriminació i monitorització de processos per lots i anàlisi de dissenys d'experiments de mescles; Part III - Sobre la selecció del nombre de factors en el PCA per proves de permutació, on aportem una guia extensa sobre com aconseguir la selecció de components de PCA a través de proves de permutació i una il·lustració completa d'un procediment algorítmic original implementat per a la finalitat esmentada; Part IV - Sobre la modelització de fonts de variabilitat comuna i distintiva en l'anàlisi de dades multi-conjunt, on discutim diversos aspectes pràctics de l'anàlisis de components comuns i distintius de dos blocs de dades (realitzat per mètodes com l'Anàlisi Simultània de Components - SCA - Anàlisi Simultània de Components Distintius i Comuns - DISCO-SCA - Descomposició Adaptada Generalitzada en Valors Singulars - Adapted GSVD - ECO-POWER, Anàlisi de Correlacions Canòniques - CCA - i Projeccions Ortogonals de 2 blocs a Estructures Latents - O2PLS). Presentem al mateix temps una nova estratègia computacional per a determinar el nombre de factors comuns subjacents a dues matrius de dades que comparteixen la mateixa dimensió de fila o columna, i dos plantejaments nous per a la transferència de calibratge entre espectròmetres d'infraroig proper; Part V - Sobre el processament i la modelització en temps real de fluxos de dades d'alta dimensió, on dissenyem l'eina de Processament en Temps Real (OTFP), un nou sistema de tractament racional de mesures multi-canal registrades en temps real; Part VI - Epíleg, on presentem les conclusions finals, delimitem les perspectives futures, i incloem annexos. / Vitale, R. (2017). Novel chemometric proposals for advanced multivariate data analysis, processing and interpretation [Tesis doctoral no publicada]. Universitat Politècnica de València. https://doi.org/10.4995/Thesis/10251/90442 / TESIS

>Magister Scientiae - MSc / The Cape Floristic Region (CFR) in South Africa, is one of the world's five Mediterranean hotspots, and is also one of the 34 global biodiversity hotspots. It has rich biological diversity, high level of species endemism in flora and fauna and an unusual high level of human induced threats. The Sandveld forms part of the CFR and is also highly threatened by intensive agriculture (potato, rooibos and wheat farming), proliferation of tourism facilities, coastal development, and alien invasions. These biodiversity threats have led to habitat loss and are threatening the long-term security of surface and ground water resources. In order to understand trends in such biodiversity loss and improve in the management of these ecosystems, earth-orbiting observation satellite data were used. This research assessed landuse changes and trends in vegetation cover in the Sandveld, using remote sensing images. Landsat TM satellite images of 1990, 2004 and 2007 were classified using the maximum likelihood classifier into seven landuse classes, namely water, agriculture, fire patches, natural vegetation, wetlands, disturbed veld, and open sands. Change detection using remote sensing algorithms and landscape metrics was performed on these multi-temporal landuse maps using the Land Change ModelIer and Patch Analyst respectively. Markov stochastic modelling techniques were used to predict future scenarios in landuse change based on the classified images and their transitional probabilities. MODIS NDVI multi-temporal datasets with a 16day temporal resolution were used to assess seasonal and annual trends in vegetation cover using time series analysis (PCA and time profiling).Results indicated that natural vegetation decreased from 46% to 31% of the total landscape between 1990 and 2007 and these biodiversity losses were attributed to an increasing agriculture footprint. Predicted future scenario based on transitional probabilities revealed a continual loss in natural habitat and increase in the agricultural footprint. Time series analysis results (principal components and temporal profiles) suggested that the landscape has a high degree of overall dynamic change with pronounced inter and intra-annual changes and there was an overall increase in greenness associated with increase in agricultural activity. The study concluded that without future conservation interventions natural habitats would continue to disappear, a condition that will impact heavily on biodiversity and significant water dependent ecosystems such as wetlands. This has significant implications for the long-term provision of water from ground water reserves and for the overall sustainability of current agricultural practices.

[ES] La selección de gametos de alta calidad es un requisito indispensable a tener en cuenta en los programas de reproduccion asistida. El desarrollo de herramientas biotecnológicas como la criopreservación de gametos, juega un papel importante en la producción acuicola y en la formación de bancos de germoplasma, que contribuiran luego en la mejora genética de las poblaciónes de peces, principalmente aquellas en peligro y que pudieran estar más afectadas ante futuros cambios climáticos. En la primera fase de esta tesis realizada en la Unesp, se trabajó con una especie neotropical de elevada importancia económica para la region Suramericana. La segunda fase realizada en la UPV se trabajó con la Anguila europea (Anguilla anguilla), una especie clasificada en la Lista Roja de la (UICN) como especie "en peligro crítico de extinción". En la primera fase se buscó caracterizar la composición bioquímica del plasma y las características seminales de la especie para evaluar las posibles relaciones entre estos parámetros. El plasma seminal estuvo principalmente compuesto por iones de sodio (Na+) y dentro de los componentes orgánicos sobresalieron las proteínas totales y la glucosa. A través del análisis de componentes principales (PCA) se observó que la motilidad tenía una fuerte correlación positiva con el tiempo de motilidad, la concentración de espermatozoides y las proteínas totales. Estos análisis sirvieron de base para la creación de una solución diluyente utilizada posteriormente en la sustancia crioprotectora. Luego se determinó la influencia del plasma seminal como constituyente de la solución crioprotectora en la criopreservación de semen de P. reticulatum. Se utilizaron tres tratamientos: glucosa 5% + metanol 10% (T1), a este crioprotector se le agregó 30% de plasma seminal natural (T2) y 30% de plasma seminal artificial en base a los resultados de los componentes bioquímicos del plasma determinados para la especie en el experimento anterior (T3). Se evaluaron parámetros de motilidad espermática, capacidad fecundante del semen criopreservado, así como fragmentación del ADN. El tratamiento T1 resultó con los mejores valores de motilidad seguido del T2, y la capacidad fertilizante de estos dos tratamientos fue similar al control, sin embargo, el tratamiento T2 mostró menos daño en el ADN. Mediante el PCA se demostró que T1 tenía una mejor relación positiva con la fertilidad y la motilidad total y progresiva. Finalmente, evaluamos las estructuras de las subpoblaciones espermáticas en cada uno de los tratamientos utilizados. Mediante análisis multivariado en dos etapas, fue posible determinar tres subpoblaciones espermáticas en el semen crioconservado de la especie, SP1 (rápido-lineal), SP2 (rápido-no lineal) y SP3 (lento-lineal). T1 presentó el mayor porcentaje de SP1, siendo confirmado por la efectividad en la protección de las células de este tratamiento en el proceso de criopreservación de la especie. En la segunda fase que se está llevó a cabo en la UPV, el objetivo general fue determinar el efecto de la temperatura y el pH del agua de mar sobre la motilidad de los espermatozoides en la Anguila europea. Se determinó que el bajo pH del agua de mar (6.5-7.4) disminuyó la motilidad de los espermatozoides de anguila en comparación con el control (pH= 8.2). Cuando estudiamos el efecto combinado del pH del plasma seminal artificial y el pH de ASW (7.8 y 8.2), no encontramos diferencias estadísticas en la motilidad y cinética de los espermatozoides en relación con el pH del plasma seminal artificial, pero sí el pH del agua de mar. Se encontraron valores más altos de motilidad total (MOT), FA(rápidos) y ME (médios) con un pH de 8.2 que con un pH de 7.8. En contraste, la temperatura del agua de mar no afectó los parámetros de motilidad de los espermatozoides o la longevidad de los espermatozoides en el contexto del cambio climático. / [CA] La selecció de gàmetes d'alta qualitat és un requisit indispensable a tenir en compte en els programes de reproducció assistida. El desenvolupament d'eines biotecnològiques com la criopreservació de gàmetes, juga un paper important en la producció aqüicola i en la formació de bancs de germoplasma, que contribuiran després a la millora genètica de les població de peixos, principalment aquelles en perill i que poguessin estar més afectades davant de futurs canvis climàtics. A la primera fase d'aquesta tesi realitzada a la Unesp, es va treballar amb una espècie neotropical d'elevada importància econòmica per a la regió sud-americana. La segona fase realitzada a la UPV es va treballar amb l'Anguilla europea (Anguilla anguilla), una espècie classificada a la Llista Vermella de la (UICN) com a espècie "en perill crític d'extinció". A la primera fase es va buscar caracteritzar la composició bioquímica del plasma i les característiques seminals de l'espècie per avaluar les possibles relacions entre aquests paràmetres. El plasma seminal va estar principalment compost per ions de sodi (Na+) i dins dels components orgànics van sobresortir les proteïnes totals i la glucosa. A través de l'anàlisi de components principals (PCA), es va observar que la motilitat tenia una forta correlació positiva amb el temps de motilitat, la concentració d'espermatozoides i les proteïnes totals. Aquestes anàlisis van servir de base per a la creació d'una solució diluent utilitzada posteriorment a la substància crioprotectora. Després es va determinar la influència del plasma seminal com a constituent de la solució crioprotectora en la criopreservació de semen de P. reticulatum. Es van utilitzar tres tractaments: glucosa 5% + metanol 10% (T1), a aquest crioprotector se li va afegir 30% de plasma seminal natural (T2) i 30% de plasma seminal artificial sobre la base dels resultats dels components bioquímics del plasma determinats per a l'espècie a l'experiment anterior (T3). S'avaluaren paràmetres de motilitat espermàtica, capacitat fecundant del semen criopreservat, així com fragmentació de l'ADN. El tractament T1 va resultar amb els millors valors de motilitat seguit del T2, i la capacitat fertilitzant d'aquests dos tractaments va ser similar al control, però el tractament T2 va mostrar menys mal a l'ADN. Mitjançant el PCA es va demostrar que T1 tenia una millor relació positiva amb la fertilitat i la motilitat total i progressiva. Finalment, avaluem les estructures de les subpoblacions espermàtiques a cadascun dels tractaments utilitzats. Mitjançant anàlisi multivariada en dues etapes, va ser possible determinar tres subpoblacions espermàtiques en el semen crioconservat de l'espècie, SP1 (ràpid-lineal), SP2 (ràpid-no lineal) i SP3 (lent-lineal). T1 va presentar el percentatge més gran de SP1, i va ser confirmat per l'efectivitat en la protecció de les cèl·lules d'aquest tractament en el procés de criopreservació de l'espècie. A la segona fase que es va dur a terme a la UPV, l'objectiu general va ser determinar l'efecte de la temperatura i el pH de l'aigua de mar sobre la motilitat dels espermatozoides a l'Anguila europea. Es va determinar que el pH baix de l'aigua de mar (6.5-7.4) va disminuir la motilitat dels espermatozoides d'anguila en comparació del control (pH= 8.2). Quan estudiem l'efecte combinat del pH del plasma seminal artificial i el pH d'ASW (7.8 i 8.2), no trobem diferències estadístiques en la motilitat i la cinètica dels espermatozoides en relació amb el pH del plasma seminal artificial, però sí el pH de l'aigua de mar. Es van trobar valors més alts de motilitat total (MOT), FA(ràpids) i ME (metges) amb un pH de 8.2 que amb un pH de 7.8. En contrast, la temperatura de l'aigua de mar no va afectar els paràmetres de motilitat dels espermatozous o la longevitat dels espermatozous en el context del canvi climàtic. / [EN] The selection of high-quality gametes is an essential requirement to take into account in assisted reproduction programs. The development of biotechnological tools such as cryopreservation of gametes plays an important role in aquaculture production and in the formation of germplasm banks, which will later contribute to the genetic improvement of fish populations, mainly those in danger and that could be more affected by future climate changes. In the first phase of this thesis carried out at Unesp, we worked with a neotropical species of high economic importance for the South American region. The second phase carried out at the UPV worked with the European Eel (Anguilla anguilla), a species classified on the (IUCN) Red List as a "critically endangered" species. In the first phase, we sought to characterize the biochemical composition of the plasma and the seminal characteristics of the species to evaluate the possible relationships between these parameters. The seminal plasma was mainly composed of sodium ions (Na+) and within the organic components, total proteins and glucose stood out. Through principal component analysis (PCA) it was observed that motility had a strong positive correlation with motility time, sperm concentration and total proteins. These analyzes served as the basis for the creation of a diluent solution later used in the cryoprotective substance. Then the influence of seminal plasma as a constituent of the cryoprotectant solution in the cryopreservation of P. reticulatum semen was determined. Three treatments were used: 5% glucose + 10% methanol (T1), 30% natural seminal plasma (T2) and 30% artificial seminal plasma were added to this cryoprotectant based on the results of the determined biochemical components of the plasma. for the species in the previous experiment (T3). Parameters of sperm motility, fertilizing capacity of cryopreserved semen, as well as DNA fragmentation were evaluated. Treatment T1 resulted with the best motility values followed by T2, and the fertilizing capacity of these two treatments was similar to the control, however, treatment T2 showed less DNA damage. Using PCA, it was shown that T1 had a better positive relationship with fertility and total and progressive motility. Finally, we evaluated the structures of the sperm subpopulations in each of the treatments used. Through two-stage multivariate analysis, it was possible to determine three sperm subpopulations in the cryopreserved semen of the species, SP1 (fast-linear), SP2 (fast-nonlinear) and SP3 (slow-linear). T1 presented the highest percentage of SP1, being confirmed by the effectiveness in protecting the cells of this treatment in the cryopreservation process of the species. In the second phase that is being carried out at the UPV, the general objective was to determine the effect of temperature and pH of seawater on sperm motility in the European Eel. It was determined that the low pH of seawater (6.5-7.4) decreased the motility of eel sperm compared to the control (pH= 8.2). When we studied the combined effect of the pH of the artificial seminal plasma and the pH of ASW (7.8 and 8.2), we did not find statistical differences in the motility and kinetics of the sperm in relation to the pH of the artificial seminal plasma, but we did find the pH of the water of sea Higher values of total motility (MOT), FA (fast) and ME (medium) were found at a pH of 8.2 than at a pH of 7.8. In contrast, seawater temperature did not affect sperm motility parameters or sperm longevity in the context of climate change. / I also thank the Coordination for the Improvement of Higher Education Personnel (CAPES/PROEX) (N° 88887.302629/2018-00), National Council for Scientific, Technological Development CNPq (N° 200452/2022-3) and the Brazilian fostering agencies Foundation for Research Support of the State of Sao Paulo FAPESP (N° 2020/15020-0), for its financial support in Brazil. In Spain, the ThinkInAzul programme, supported by the Spanish Ministry of Science and Innovation (MCIN) with funding from the European Union NextGenerationEU (PRTR-C17.I1) and the Generalitat Valenciana (THINKINAZUL/2021/012) to SEASPERM, which has made it possible the preparation of this work. To the AUIP (Ibero-American Postgraduate University Association) for the Academic Mobility scholarship between Institutions Associated with the AUIP 2022 / Padilla Sánchez, M. (2023). Sperm Quality and Cryopreservation in Teleost: Effect of Seminal Plasma Component and Climate Change [Tesis doctoral]. Universitat Politècnica de València. https://doi.org/10.4995/Thesis/10251/201549

In forensic autopsies, accurately estimating the postmortem interval (PMI) is crucial. Traditional methods, relying on physical parameters and police data, often lack precision, particularly after approximately two days have passed since the person's death. New methods are increasingly focusing on analyzing postmortem metabolomics in biological systems, acting as a 'fingerprint' of ongoing processes influenced by internal and external molecules. By carefully analyzing these metabolomic profiles, which span a diverse range of information from events preceding death to postmortem changes, there is potential to provide more accurate estimates of the PMI. The limitation of available real human data has hindered comprehensive investigation until recently. Large-scale metabolomic data collected by the National Board of Forensic Medicine (RMV, Rättsmedicinalverket) presents a unique opportunity for predictive analysis in forensic science, enabling innovative approaches for improving  PMI estimation. However, the metabolomic data appears to be large, complex, and potentially nonlinear, making it difficult to interpret. This underscores the importance of effectively employing machine learning algorithms to manage metabolomic data for the purpose of PMI predictions, the primary focus of this project.  In this study, a dataset consisting of 4,866 human samples and 2,304 metabolites from the RMV was utilized to train a model capable of predicting the PMI. Random Forest (RF) and Artificial Neural Network (ANN) models were then employed for PMI prediction. Furthermore, feature selection and incorporating sex and age into the model were explored to improve the neural network's performance.  This master's thesis shows that ANN consistently outperforms RF in PMI estimation, achieving an R2 of 0.68 and an MAE of 1.51 days compared to RF's R2 of 0.43 and MAE of 2.0 days across the entire PMI-interval. Additionally, feature selection indicates that only 35% of total metabolites are necessary for comparable results with maintained predictive accuracy. Furthermore, Principal Component Analysis (PCA) reveals that these informative metabolites are primarily located within a specific cluster on the first and second principal components (PC), suggesting a need for further research into the biological context of these metabolites.  In conclusion, the dataset has proven valuable for predicting PMI. This indicates significant potential for employing machine learning models in PMI estimation, thereby assisting forensic pathologists in determining the time of death. Notably, the model shows promise in surpassing current methods and filling crucial gaps in the field, representing an important step towards achieving accurate PMI estimations in forensic practice. This project suggests that machine learning will play a central role in assisting with determining time since death in the future.

Ο στόχος αυτής της εργασίας ήταν η αναγνώριση έξι βασικών κινήσεων του χεριού με χρήση δύο συστημάτων. Όντας θέμα διεπιστημονικού επιπέδου έγινε μελέτη της ανατομίας των μυών του πήχη, των βιοσημάτων, της μεθόδου της ηλεκτρομυογραφίας (ΗΜΓ) και μεθόδων αναγνώρισης προτύπων. Παράλληλα, το σήμα περιείχε αρκετό θόρυβο και έπρεπε να αναλυθεί, με χρήση του EMD, να εξαχθούν χαρακτηριστικά αλλά και να μειωθεί η διαστασιμότητά τους, με χρήση των RELIEF και PCA, για βελτίωση του ποσοστού επιτυχίας ταξινόμησης. Στο πρώτο μέρος γίνεται χρήση συστήματος ΗΜΓ της Delsys αρχικά σε ένα άτομο και στη συνέχεια σε έξι άτομα με το κατά μέσο όρο επιτυχημένης ταξινόμησης, για τις έξι αυτές κινήσεις, να αγγίζει ποσοστά άνω του 80%. Το δεύτερο μέρος περιλαμβάνει την κατασκευή αυτόνομου συστήματος ΗΜΓ με χρήση του Arduino μικροελεγκτή, αισθητήρων ΗΜΓ και ηλεκτροδίων, τα οποία είναι τοποθετημένα σε ένα ελαστικό γάντι. Τα αποτελέσματα ταξινόμησης σε αυτή την περίπτωση αγγίζουν το 75%. / The aim of this work was to identify six basic movements of the hand using two systems. Being an interdisciplinary topic, there has been conducted studying in the anatomy of forearm muscles, biosignals, the method of electromyography (EMG) and methods of pattern recognition. Moreover, the signal contained enough noise and had to be analyzed, using EMD, to extract features and to reduce its dimensionality, using RELIEF and PCA, to improve the success rate of classification. The first part uses an EMG system of Delsys initially for an individual and then for six people with the average successful classification, for these six movements at rates of over 80%. The second part involves the construction of an autonomous system EMG using an Arduino microcontroller, EMG sensors and electrodes, which are arranged in an elastic glove. Classification results in this case reached 75% of success.

In this thesis the oxidation of monoterpenes by O3 and NO2 and factors that influenced the oxidation were studied. In the environment both ozone (O3) and nitrogen dioxide (NO2) are present as oxidising gases, which causes sampling artefacts when using Tenax TA as an adsorbent to sample organic compounds in the air. A scrubber was developed to remove O3 and NO2 prior to the sampling tube, and artefacts during sampling were minimised when using the scrubber. The main organic compounds sampled in this thesis were two monoterpenes, alfa-pinene and delta-3-carene, due to their presence in both indoor and outdoor air. The recovery of the monoterpenes through the scrubber varied between 75-97% at relative humidities of 15-75%. The reactions of alfa-pinene and delta-3-carene with O 3, NO2 and nitric oxide (NO) at different relative humidities (RHs) and reaction times were studied in a dark reaction chamber. The experiments were planned and performed according to an experimental design were the factors influencing the reaction (O3, NO2, NO, RH and reaction times) were varied between high and low levels. In the experiments up to 13% of the monoterpenes reacted when O3, NO2, and reaction time were at high levels, and NO, and RH were at low levels. In the evaluation eight and seven factors (including both single and interaction factors) were found to influence the amount of alfa-pinene and delta-3-carene reacted, respectively. The three most influencing factors for both of the monoterpenes were the O 3 level, the reaction time, and the RH. Increased O3 level and reaction time increased the amount of monoterpene reacted, and increased RH decreased the amount reacted. A theoretical model of the reactions occurring in the reaction chamber was created. The amount of monoterpene reacted at different initial settings of O3, NO2, and NO were calculated, as well as the influence of different reaction pathways, and the concentrations of O3 and NO2, and NO at specific reaction times. The results of the theoretical model were that the reactivity of the gas mixture towards alfa-pinene and delta-3-carene was underestimated. But, the calculated concentrations of O3, NO2, and NO in the theoretical model were found to correspond to a high degree with experimental results performed under similar conditions. The possible associations between organic compounds in indoor air, building variables and the presence of sick building syndrome were studied using principal component analysis. The most complex model was able to separate 71% of the “sick” buildings from the “healthy” buildings. The most important variables that separated the “sick” buildings from the “healthy” buildings were a more frequent occurrence or a higher concentration of compounds with shorter retention times in the “sick” buildings. The outcome of this thesis could be summarised as follows; - - - -

L’objectif de cette thèse était d’appliquer des méthodes d’analyse multivariées au traitement des données provenant de la spectroscopie de plasma induit par laser (LIBS) et de la spectroscopie térahertz (THz) dans le but d’accroître les performances analytiques de ces techniques.Les spectres LIBS provenaient de campagnes de mesures directes sur différents sites géologiques. Une approche univariée n’a pas été envisageable à cause d’importants effets de matrices et c’est pour cela qu’on a analysé les données provenant des spectres LIBS par réseaux de neurones artificiels (ANN). Cela a permis de quantifier plusieurs éléments mineurs et majeurs dans les échantillons de sol avec un écart relatif de prédiction inférieur à 20% par rapport aux valeurs de référence, jugé acceptable pour des analyses sur site. Dans certains cas, il a cependant été nécessaire de prendre en compte plusieurs modèles ANN, d’une part pour classer les échantillons de sol en fonction d’un seuil de concentration et de la nature de leur matrice, et d’autre part pour prédire la concentration d’un analyte. Cette approche globale a été démontrée avec succès dans le cas particulier de l’analyse du plomb pour un échantillon de sol inconnu. Enfin, le développement d’un outil de traitement par ANN a fait l’objet d’un transfert industriel.Dans un second temps, nous avons traité des spectres d’absorbance terahertz. Ce spectres provenaient de mesures d’absorbance sur des mélanges ternaires de Fructose-Lactose-acide citrique liés par du polyéthylène et préparés sous forme de pastilles. Une analyse semi-quantitative a été réalisée avec succès par analyse en composantes principales (ACP). Puis les méthodes quantitatives de régression par moindres carrés partiels (PLS) et de réseaux de neurons artificiels (ANN) ont permis de prédire les concentrations de chaque constituant de l’échantillon avec une valeur d’erreur quadratique moyenne inférieure à 0.95 %. Pour chaque méthode de traitement, le choix des données d’entrée et la validation de la méthode ont été discutés en détail. / The aim of this work was the application of multivariate methods to analyze spectral data from laser-induced breakdown spectroscopy (LIBS) and terahertz (THz) spectroscopy to improve the analytical ability of these techniques.In this work, the LIBS data were derived from on-site measurements of soil samples. The common univariate approach was not efficient enough for accurate quantitative analysis and consequently artificial neural networks (ANN) were applied. This allowed quantifying several major and minor elements into soil samples with relative error of prediction lower than 20% compared to reference values. In specific cases, a single ANN model didn’t allow to successfully achieving the quantitative analysis and it was necessary to exploit a series of ANN models, either for classification purpose against a concentration threshold or a matrix type, or for quantification. This complete approach based on a series of ANN models was efficiently applied to the quantitative analysis of unknown soil samples. Based on this work, a module of data treatment by ANN was included into the software Analibs of the IVEA company. The second part of this work was focused on the data treatment of absorbance spectra in the terahertz range. The samples were pressed pellets of mixtures of three products, namely fructose, lactose and citric acid with polyethylene as binder. A very efficient semi-quantitative analysis was conducted by using principal component analysis (PCA). Then, quantitative analyses based on partial least squares regression (PLS) and ANN allowed quantifying the concentrations of each product with a root mean square error (RMSE) lower than 0.95 %. All along this work on data processing, both the selection of input data and the evaluation of each model have been studied in details.

O uso de dados biométricos da face para verificação automática de identidade é um dos maiores desafios em sistemas de controle de acesso seguro. O processo é extremamente complexo e influenciado por muitos fatores relacionados à forma, posição, iluminação, rotação, translação, disfarce e oclusão de características faciais. Hoje existem muitas técnicas para se reconhecer uma face. Esse trabalho apresenta uma investigação buscando identificar uma face no banco de dados ORL com diferentes grupos de treinamento. É proposto um algoritmo para o reconhecimento de faces baseado na técnica de subespaço LDA (PCA + LDA) utilizando uma rede neural SOM para representar cada classe (face) na etapa de classificação/identificação. Aplicando o método do subespaço LDA busca-se extrair as características mais importantes na identificação das faces previamente conhecidas e presentes no banco de dados, criando um espaço dimensional menor e discriminante com relação ao espaço original. As redes SOM são responsáveis pela memorização das características de cada classe. O algoritmo oferece maior desempenho (taxas de reconhecimento entre 97% e 98%) com relação às adversidades e fontes de erros que prejudicam os métodos de reconhecimento de faces tradicionais. / The use of biometric technique for automatic personal identification is one of the biggest challenges in the security field. The process is complex because it is influenced by many factors related to the form, position, illumination, rotation, translation, disguise and occlusion of face characteristics. Now a days, there are many face recognition techniques. This work presents a methodology for searching a face in the ORL database with some different training sets. The algorithm for face recognition was based on sub-space LDA (PCA + LDA) technique using a SOM neural net to represent each class (face) in the stage of classification/identification. By applying the sub-space LDA method, we extract the most important characteristics in the identification of previously known faces that belong to the database, creating a reduced and more discriminated dimensional space than the original space. The SOM nets are responsible for the memorization of each class characteristic. The algorithm offers great performance (recognition rates between 97% and 98%) considering the adversities and sources of errors inherent to the traditional methods of face recognition.

Esta tese foi dedicada à duas alternativas para tratamento dos lixiviados de aterros sanitários. A primeira delas, o tratamento consorciado do lixiviado com esgoto sanitário em sistemas aeróbios, teve como objetivo principal verificar se a remoção da matéria orgânica do lixiviado seria devida à biodegradação ou à simples diluição no esgoto sanitário. Para responder esse questionamento, propôs-se o método tentativo \"equivalente em ácido húmico\" (Eq.AH). Em ensaios com reatores de lodos ativados (10 L) operados em batelada, avaliaram-se as remoções de matéria orgânica e nitrogênio para diferentes misturas de lixiviado e esgoto sanitários brutos e pré-tratados, com proporções volumétricas de lixiviado de 0, 0,2, 2 e 5%. O tratamento foi mais eficiente para a mistura esgoto bruto e lixiviado pré-tratado por air stripping (para remoção da amônia) na proporção volumétrica de 2%. Essa condição foi avaliada em reatores piloto de lodos ativados (95 L) e biofiltro aerado submerso (178 L), alimentados continuamente com tempo de detenção hidráulica (TDH) de 24 h. O reator piloto de lodos ativados removeu 59% do COD e a eficiência de nitrificação foi de 60%; enquanto que o biofiltro removeu 83% do COD e eficiência de nitrificação foi de 77%. Com o método tentativo Eq.AH, verificou-se que a remoção da matéria orgânica do lixiviado pré-tratado se deu por biodegradação parcial com o esgoto sanitário, resultado confirmado por espectroscopia de infravermelho por transformada de Fourier. As remoções do COD Eq.AH nos reatores piloto de lodos ativados e biofiltro aerado submerso foram de, respectivamente, 47 e 71%. Adicionalmente, o monitoramento da remoção da matéria orgânica pôde ser realizado com eficácia pelo teste de coloração com nanquim, utilizando o método de classificação de tonalidades proposto nesta Tese. A segunda alternativa proposta nesta Tese consistiu no tratamento dos lixiviados bruto e pré-tratado com cal em reatores de lodos ativados. Os resultados, todavia, foram insatisfatórios: indicaram que essa alternativa se mostrou inviável: após 20 dias de aeração nos reatores de bancada alimentados em batelada, a remoção da matéria orgânica foi inferior a 40% e a remoção do nitrogênio foi devida à volatilização da amônia. / This thesis was dedicated to two alternatives for landfill leachate treatment. The first one, the aerobic co-treatment of leachate and domestic wastewater in aerobic systems, aimed to verify if the organic matter of leachate was removed by biodegradation or dilution with domestic wastewater. To answer this questioning, it was proposed the tentative method \"equivalent in humic acid\" (Eq.HA). In the experiments with bench-scale activated sludge reactors (10 L) operated in batch mode, it was evaluated the organic matter and nitrogen removal from mixtures containing raw and pre-treated leachate and domestic wastewater, at the volumetric ratios of 0, 0.2, 2 and 5%. The treatment was mostly efficient when it was used the mixture domestic wastewater and leachate pre-treated by air stripping (for ammonia removal), at a volumetric ratio of 2%. This condition was also evaluated in a pilot-scale activated sludge reactor (95 L) and a submerged aerobic biofilter (178 L), operated under continuous-flow regime with a 24-h hydraulic retention time. The pilot-scale activated sludge reactor removed 59% of DOC and nitrification efficiency was 60%; whereas the submerged aerobic biofilter removed 83% of DOC and nitrification efficiency was 77%. Using the Eq.HA approach, it was determined that pre-treated leachate organic matter removal was due to partial biodegradation with domestic wastewater, which was confirmed by Fourier transform infrared spectroscopy. The removals of COD Eq.HA were 47% for the pilot-scale activated sludge reactor and 71% for the submerged aerobic biofilter. Aditionally, organic matter could be assessed with the India ink reverse stain test, using the proposed method for tonalities classification. The second alternative proposed by this Thesis consisted in the treatment of raw and pre-treated leachate by lime addition, using activated sludge reactors. The results did not indicate the feasibility of this alternative: after 20 days of aeration, the organic matter removal was lesser than 40%, and nitrogen was mostly removed by ammonia volatilization.

Esta tese foi dedicada à duas alternativas para tratamento dos lixiviados de aterros sanitários. A primeira delas, o tratamento consorciado do lixiviado com esgoto sanitário em sistemas aeróbios, teve como objetivo principal verificar se a remoção da matéria orgânica do lixiviado seria devida à biodegradação ou à simples diluição no esgoto sanitário. Para responder esse questionamento, propôs-se o método tentativo \"equivalente em ácido húmico\" (Eq.AH). Em ensaios com reatores de lodos ativados (10 L) operados em batelada, avaliaram-se as remoções de matéria orgânica e nitrogênio para diferentes misturas de lixiviado e esgoto sanitários brutos e pré-tratados, com proporções volumétricas de lixiviado de 0, 0,2, 2 e 5%. O tratamento foi mais eficiente para a mistura esgoto bruto e lixiviado pré-tratado por air stripping (para remoção da amônia) na proporção volumétrica de 2%. Essa condição foi avaliada em reatores piloto de lodos ativados (95 L) e biofiltro aerado submerso (178 L), alimentados continuamente com tempo de detenção hidráulica (TDH) de 24 h. O reator piloto de lodos ativados removeu 59% do COD e a eficiência de nitrificação foi de 60%; enquanto que o biofiltro removeu 83% do COD e eficiência de nitrificação foi de 77%. Com o método tentativo Eq.AH, verificou-se que a remoção da matéria orgânica do lixiviado pré-tratado se deu por biodegradação parcial com o esgoto sanitário, resultado confirmado por espectroscopia de infravermelho por transformada de Fourier. As remoções do COD Eq.AH nos reatores piloto de lodos ativados e biofiltro aerado submerso foram de, respectivamente, 47 e 71%. Adicionalmente, o monitoramento da remoção da matéria orgânica pôde ser realizado com eficácia pelo teste de coloração com nanquim, utilizando o método de classificação de tonalidades proposto nesta Tese. A segunda alternativa proposta nesta Tese consistiu no tratamento dos lixiviados bruto e pré-tratado com cal em reatores de lodos ativados. Os resultados, todavia, foram insatisfatórios: indicaram que essa alternativa se mostrou inviável: após 20 dias de aeração nos reatores de bancada alimentados em batelada, a remoção da matéria orgânica foi inferior a 40% e a remoção do nitrogênio foi devida à volatilização da amônia. / This thesis was dedicated to two alternatives for landfill leachate treatment. The first one, the aerobic co-treatment of leachate and domestic wastewater in aerobic systems, aimed to verify if the organic matter of leachate was removed by biodegradation or dilution with domestic wastewater. To answer this questioning, it was proposed the tentative method \"equivalent in humic acid\" (Eq.HA). In the experiments with bench-scale activated sludge reactors (10 L) operated in batch mode, it was evaluated the organic matter and nitrogen removal from mixtures containing raw and pre-treated leachate and domestic wastewater, at the volumetric ratios of 0, 0.2, 2 and 5%. The treatment was mostly efficient when it was used the mixture domestic wastewater and leachate pre-treated by air stripping (for ammonia removal), at a volumetric ratio of 2%. This condition was also evaluated in a pilot-scale activated sludge reactor (95 L) and a submerged aerobic biofilter (178 L), operated under continuous-flow regime with a 24-h hydraulic retention time. The pilot-scale activated sludge reactor removed 59% of DOC and nitrification efficiency was 60%; whereas the submerged aerobic biofilter removed 83% of DOC and nitrification efficiency was 77%. Using the Eq.HA approach, it was determined that pre-treated leachate organic matter removal was due to partial biodegradation with domestic wastewater, which was confirmed by Fourier transform infrared spectroscopy. The removals of COD Eq.HA were 47% for the pilot-scale activated sludge reactor and 71% for the submerged aerobic biofilter. Aditionally, organic matter could be assessed with the India ink reverse stain test, using the proposed method for tonalities classification. The second alternative proposed by this Thesis consisted in the treatment of raw and pre-treated leachate by lime addition, using activated sludge reactors. The results did not indicate the feasibility of this alternative: after 20 days of aeration, the organic matter removal was lesser than 40%, and nitrogen was mostly removed by ammonia volatilization.