Área de Ciencias

Permanent URI for this collectionhttps://hdl.handle.net/10347/2291

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Translating Photoredox Catalysis to Biological Environments
(2026) Fernández González, Xulián; Tomás Gamasa, María; Mascareñas Cid, José Luis; Universidade de Santiago de Compostela. Escola de Doutoramento Internacional (EDIUS)
This thesis explores the feasibility of performing photocatalytic radical processes in biological media, employing homogeneous and heterogeneous catalysis under a bioorthogonal context. First, we demostrated for the first time the photoredox activation of diazonium salts in biological and cellular environments, enabling radical transformations in cellulo. Subsequently, triazenes were introduce as stable precursors of diazonium salts, allowing the controlled generation of diazonium ion under aqueous and biocompatible conditions. As alternative radical precursors, we have explores the use of oximes for the generation of radical species under aqueoues conditions and within living cells. Finally, metal organic framewroks(MOF) were employeed as photocatalytic nanoreactors in aqueoues and biologically relevant environments.
Étude et applications du nombre de Lefschetz
(2026) Majadas Moure, Alejandro Omar; Álvarez López, Jesús Antonio; Mosquera Lois, David; Universidade de Santiago de Compostela. Escola de Doutoramento Internacional (EDIUS)
En esta tesis se construye el número de Lefschetz combinatorio, una generalización del número de Lefschetz clásico para aplicaciones abiertas. Además de permitir obtener teoremas de punto fijo en espacios no compactos (y en particular no acotados) en que el teorema clásico no aplica, el número de Lefschetz combinatorio, así como su invariancia topológica, tendrán innumerables aplicaciones.
Conservación, domesticación de "Juglans neotropica" Diels. para uso comercial, mejoramiento genético y restauración de ecosistemas degradados al sur de Ecuador
(2026) Palacios Herrera, Byron Gonzalo; Pereira Lorenzo, Santiago; Pucha Cofrep, Darwin Alexander; Universidade de Santiago de Compostela. Escola de Doutoramento Internacional (EDIUS)
La presente Tesis Doctoral, desarrollada bajo la modalidad de compendio de publicaciones, aborda de manera integral el estudio ecológico, fenológico y fenotípico de Juglans neotropica Diels en ecosistemas montanos del sur de Ecuador. Esta especie nativa, clasificada como amenazada por la UICN, posee alto valor ecológico, económico y cultural, y representa un recurso estratégico para la restauración de paisajes forestales degradados en la Región Sur (Zona 7). La investigación se estructura en torno a tres objetivos específicos: (1) caracterizar la ocurrencia natural y artificial de la especie en distintos ecosistemas montanos; (2) analizar su comportamiento fenológico en función de gradientes edáficos y orográficos; (3) evaluar su variabilidad fenotípica en vivero y campo
Lagrangian formulation and numerical simulation of multiphysics models. Application to electric upsetting
(2026) Martínez Suárez, Iván; Bermúdez de Castro López-Varela, Alfredo; Salgado Rodríguez, María del Pilar; Universidade de Santiago de Compostela. Escola de Doutoramento Internacional (EDIUS)
Forming processes are fundamental in modern industry, as they enable the permanent deformation of a workpiece into a desired geometry while preserving cohesion and mass. Compared with casting or machining, forming offers advantages such as low material waste, short production times, precise final shapes, and improved mechanical properties. Nevertheless, it also demands high forces, costly equipment, and faces limitations with complex geometries. Conventional bulk and sheet forming techniques, which primarily rely on mechanical contact, are widely used but remain challenged by high cost, energy consumption, and environmental impact. To address demands for lighter components, higher precision, and greater sustainability, energy-assisted forming methods have been developed. These include electromagnetic forming, which employs Lorentz forces; ultrasonic-assisted forming, which reduces friction and resistance through vibrations; and electrically assisted forming, which lowers deformation resistance by Joule heating.
Iridium-Catalyzed Enantioselective Hydrofunctionalization of Allenes
(2026) Rey López, Alejandro; Mascareñas Cid, José Luis; López García, Fernando José; Universidade de Santiago de Compostela. Escola de Doutoramento Internacional (EDIUS)
Since the earliest days, humans have relied on natural products for medicines and materials, but their limitations drove the development of synthetic methodologies to access complex molecules with improved properties. The advent of transition metal catalysis revolutionized bond formation under mild and sustainable conditions, while asymmetric catalysis enabled the enantioselective construction of challenging tertiary and quaternary stereocenters. This thesis focuses on developing transition metal catalyzed C-H and N-H bond additions across allenes to create complex chiral molecules. In Section I, an intramolecular Iridium(I) catalyzed exo-hydroarylation of allenyl-tethered pyrroles and indoles afforded polycyclic products with quaternary centers, enabling a concise formal synthesis of Rhazinilam.
Towards X-Ray Phase-Contrast Imaging at the L2A2: Laser X-Ray Source Stabilization, Setup Optimization, and First Images
(2026) Coathup Whale, Andrew Lawrence; Benlliure Anaya, José; Universidade de Santiago de Compostela. Escola de Doutoramento Internacional (EDIUS)
Propagation-based phase-contrast x-ray imaging, referred to as PB-PCXI, is an advanced x-ray imaging technique that allows for improved contrast and visualization of low absorption contrast materials, such as soft tissues. Its application, though, is restricted to x-ray sources that have sufficient lateral spatial coherence to resolve the phase effects. Synchrotron sources are the ideal x-ray source for this technique, offering a unique blend of high spatial coherence and high x-ray flux. Unfortunately, their accessibility is extremely limited due to the high demand for beamtime. Micro-focus x-ray sources are another option, but their low x-ray flux leads to prolonged acquisition times. There is a demand for novel x-ray sources that offer a combination of high lateral spatial coherence and high x-ray flux. Femtosecond laser x-ray sources have emerged as a promising option for PB-PCXI.
Polyoxometalates and Nanoparticle-Based Nanostructured Materials for Advanced Functional Applications
(2026) Vizcaíno Anaya, Lucía; Giménez López, María del Carmen; Universidade de Santiago de Compostela. Escola de Doutoramento Internacional (EDIUS)
This thesis delves into the interplay between nanostructured materials and their performance in applications like energy storage, memory devices, hyperthermia and catalysis. The work centres on two main types of materials: polyoxometalates (POM) for energy storage and memory devices, and iron based nanoparticles supported on carbon nanofibers for hyperthermia and catalysis, providing a comprehensive understanding of nanostructure design and electrochemical behaviour. For POM, the research first focused on optimizing electrode performance through systematic variation of countercations, particularly examining how hydrophobicity and alkyl chain length influence solubility, stability, and interactions with carbon black supports. Materials with long chain cations demonstrated that electrochemical activation could be accelerated by thermal pretreatment of the materials.
Diseño, síntesis y estudio de hidrocarburos policíclicos no convencionales con anillos de cuatro y cinco miembros
(2026) Janeiro Rodríguez, Jesús; Pérez Meirás, María Dolores; Peña Gil, Diego; Universidade de Santiago de Compostela. Escola de Doutoramento Internacional (EDIUS)
Los hidrocarburos policíclicos conjugados (HPCs) constituyen una clase versátil de compuestos orgánicos con una importancia creciente en el desarrollo de materiales funcionales avanzados y en la investigación de nuevas formas de reactividad química. Esta tesis se dedica al diseño, síntesis y estudio de nuevas estructuras policíclicas que incorporan anillos de cuatro y cinco miembros en su estructura molecular. Mediante la introducción de estas unidades no bencendoides, se pretende explorar cómo las modificaciones estructurales influyen en las propiedades electrónicas, la estabilidad y la reactividad de estas arquitecturas moleculares.
Applications of Computational Mathematics to Simulation and Data Analysis: Two-dimensional Vortex Dynamics and Meteorological Data Reconstruction
(2026) Balsa, Carlos Jorge da Rocha; Otero Espinar, María Victoria; Gama, Sílvio Marques de Almeida; Universidade de Santiago de Compostela. Escola de Doutoramento Internacional (EDIUS)
This research is developed within two main areas of Applied Computational Mathematics: Simulation and Data Analysis. In the simulation component, the study investigates the motion of a passive particle on a spherical surface under the influence of multiple point vortices. The aim is to find an energy-minimising trajectory that respects constraints such as specified departure and arrival points, as well as a fixed travel time. In the data analysis component, the research focuses on reconstructing incomplete meteorological time series by addressing gaps caused by missing records. The proposed methodology seeks to maximise the use of available information from predictor stations while ensuring both high accuracy and computational efficiency.
Dualidad, álgebras diferenciales graduadas y soportes
(2026) Loureiro Novo, Eduardo; Alonso Tarrío, Leovigildo; Jeremías López, Ana; Universidade de Santiago de Compostela. Escola de Doutoramento Internacional (EDIUS)
La tesis aborda la clasificación de subcategorías localizantes y colocalizantes en categorías derivadas que surgen de modo natural en geometría algebraica y álgebra conmutativa derivada. En el contexto de la geometría algebraica se clasifican las subcategorías localizantes y colocalizantes en la categoría derivada de haces de módulos con homología cuasi-coherente sobre un esquema generado por puntos. En ambos casos la clasificación viene dada por los subconjuntos del espacio subyacente al esquema. La generación por puntos se satisface si el esquema es noetheriano. Por ello, en el caso de localizaciones se obtiene una generalización del resultado previamente conocido para esquemas noetherianos. En el caso de las colocalizaciones generaliza el resultado clásico de Neeman que clasifica las colocalizaciones de la correspondiente categoría derivada asociada a un esquema noetheriano afín.
Contaminación histórica por hexaclorociclohexano: monitorización ambiental y alternativas de descontaminación
(2026) Chaos Carballo, María Zoe; Monterroso Martínez, María del Carmen; Universidade de Santiago de Compostela. Escola de Doutoramento Internacional (EDIUS)
El gamma-hexaclorociclohexano (gamma-HCH), comúnmente conocido como lindano, fue un pesticida organoclorado ampliamente utilizado durante la segunda mitad del siglo XX. La producción de lindano consiste en aislar el gamma-HCH de una mezcla con otros isómeros (alfa-, beta-, gamma-, delta-, epsilon-HCH) mediante un proceso ineficiente que genera grandes cantidades de residuos, mayormente alfa- y beta-HCH. Por cada tonelada de lindano se generan entre 8 y 12 toneladas de otros isómeros. Durante las décadas de producción, las cantidades totales de residuos de HCH estimadas están entre 4,8-7,2 millones de toneladas. Actualmente, se tiene un amplio conocimiento sobre la toxicidad, capacidad de bioacumulación y transporte a larga distancia de los isómeros de HCH. Estas características llevaron a que alfa-, beta-, y gamma-HCH fueran clasificados como contaminantes orgánicos persistentes (COPs) durante el Convenio de Estocolmo de 2009.
Towards Comprehensive Nanoparticle Assessment in Biological Media: Application of Single-Particle, Single-Cell, and Laser-Ablation ICP-MS
(2026) Justo Vega, Ana; Moreda Piñeiro, Antonio; Domínguez González, Raquel; Universidade de Santiago de Compostela. Escola de Doutoramento Internacional (EDIUS)
Engineered nanoparticles, ENPs, have become ubiquitous in modern society, yet their detection in environmental and biological systems remains analytically challenging. This thesis advances the field of nanometrology by developing and applying innovative strategies based on inductively coupled plasma mass spectrometry, ICP-MS in its most advanced operational modes: single-particle, single-cell, and laser ablation ICP-MS. The development of matrix-specific pre-treatments strategies enable reliable NP characterization and quantification in tap water, human serum and urine, and red blood cells, RBCs. The present thesis targets different aspects of NP assessment: environmental exposure detection, biological monitoring in fluids, and cellular uptake dynamics.
Whistles in the Wild: A Multi-Regional Assessment of Vocal Communication in Free-Ranging Bottlenose Dolphins (Tursiops truncatus)
(2026) Mosca, Olga Irene; Díaz López, Bruno; Universidade de Santiago de Compostela. Escola de Doutoramento Internacional (EDIUS)
Animals rely on communication for a wide range of purposes, including mating and cooperating with others to ensure survival. In highly social and cognitively advanced species like bottlenose dolphins, acoustic communication plays an important role. Dolphins use sound not only to explore their surroundings through echolocation, but also to stay in contact, maintain group cohesion, and coordinate activities through sounds known as whistles. This thesis investigates how bottlenose dolphins use whistles across different social and environmental contexts. The research is based on long-term datasets collected by the Bottlenose Dolphin Research Institute over nearly two decades in two coastal regions: the northeastern coast of Sardinia, Italy, and the Galician Rías, NW Spain.
Gold-mediated reactions and photocatalytic transformations in biological environments
(2026) D'Avino, Cinzia; Mascareñas Cid, José Luis; Tomás Gamasa, María; Universidade de Santiago de Compostela. Escola de Doutoramento Internacional (EDIUS)
This thesis explores the development of gold catalyzed and photocatalytic bioorthogonal reactions under physiologically relevant conditions. Gold catalysis enables mild hydrolysis of ynamides to amides and cascade reactions from anilines to carbazoles, demonstrating good performance in aqueous and biologically relevant media. Photocatalytic transformations allow the formation of indoles from aryl azides with excellent biocompatibility, including cell selective imaging through peptide photocatalyst conjugates. Overall, these results highlight strategies for the in situ generation of bioactive scaffolds in living systems, expanding the toolbox for bioorthogonal chemistry.
Optimización de un agente espumante para la extinción de incendios forestales basado en jabones naturales y arcillas
(2026) Muiño Blanco, Fátima; Salgado Carballo, Josefa; González Prieto, Serafín Jesús; Universidade de Santiago de Compostela. Escola de Doutoramento Internacional (EDIUS)
Los ecosistemas forestales actúan mitigando la emisión, o aumentando la absorción, de gases de efecto invernadero en la atmósfera. Estos ecosistemas funcionan como grandes reservorios de C y tienen una alta capacidad para secuestrar C adicional, ya que los bosques, junto con las turberas, constituyen la mayor parte del sumidero terrestre. Por ello, comprender e intentar controlar aquellos sucesos que alteran su estado de conservación se convierte en una tarea relevante. Uno de los factores que produce un mayor impacto en los bosques son los incendios, cuyos efectos se han visto potenciados por la acción antrópica y el cambio climático originando incendios forestales prolongados y graves cada vez más frecuentes. Ante esta problemática cobra especial relevancia el papel de los agentes extintores o retardantes de llama, utilizados como aditivos con el objetivo de mejorar la eficacia extintora del agua.
Patróns de alimentación e nutrición infantil a través da patoloxía oral en coleccións osteoarqueolóxicas do noroeste da Península Ibérica (tardoantigüidade – Idade Moderna)
(2026) Veiga Rilo, Clara; López Costas, Olalla; Martínez Cortizas, Antonio; Universidade de Santiago de Compostela. Escola de Doutoramento Internacional (EDIUS)
Os dentes son un dos elementos do corpo humano mellor preservados no rexistro arqueolóxico. Estes sinais patolóxicas e depósitos minerais que permiten reconstruír dieta, nutrición e saúde, así como condicións sociais, culturais e económicas. Este traballo analiza a patoloxía oral en 140 individuos pertencentes a sete coleccións esqueléticas galegas datadas entre a Tardoantigüedade e a Idade Moderna (séculos IV-XVIII): Rúa Real (A Coruña), A Lanzada, Adro Vello, Capela do Pilar, San Bartolomeu o Vello, Santa María a Maior (época medieval e moderna) e Santa Clara (todas en Pontevedra). A maioría sitúanse en contextos costeiros, agás Capela do Pilar (Lugo), e foron clasificadas como rurais (A Lanzada, Adro Vello) ou urbanas (resto). Analizáronse caries, lesións periapicais, enfermidade periodontal, cálculo, hipoplasias do esmalte e desgaste dental.
A holistic evaluation of an efficient and environmentally-sound public lighting system to control biological colonisation on architectural heritage
(2026) Méndez Villar, Anxo; Sanmartín Sánchez, Patricia; Universidade de Santiago de Compostela. Escola de Doutoramento Internacional (EDIUS)
Ornamental lighting plans are governed by aesthetic considerations, energy efficiency, and recommendations regarding their environmental impact; however, they do not account for their potential effect on the biological colonisation present stone-built heritage. Artificial light can promote the development of phototrophic colonization, in the form of SABs composed of algae and cyanobacteria, if emitted at wavelengths that stimulate photosynthesis. The implementation of innovative lighting solutions must comply with the strict regulatory framework within the urban fabric, resembling white light due to the impossibility of using monochromatic lighting on a permanent basis. It has been hypothesised that the combination of narrow-band amber and green LED light, with a primary peak at 593 nm and a secondary peak at 528 nm, will have a biostatic effect by illuminating between the main absorption peaks of photosynthetic pigments while maintaining and adequate white-like appearance.
Exploring the structure of light neutron-rich nuclei through quasi-free scattering reactions in inverse kinematics with the R3B setup at GSI/FAIR
(2026) Feijoo Fontán, Martina; Rodríguez Sánchez, José Luis; Universidade de Santiago de Compostela. Escola de Doutoramento Internacional (EDIUS)
The evolution of nuclear shell structure, in particular the modification of traditional magic numbers as nuclei become increasingly neutron- or proton-rich, remains a central problem in contemporary nuclear physics. This thesis investigates the evolution of the proton shell closure at Z=6 in carbon isotopes as the neutron dripline is approached, through the study of quasi-free scattering (QFS) reactions in inverse kinematics. The experimental work was carried out using the R3B setup at GSI/FAIR, a versatile state-of-the-art detection system that enables complete kinematic reconstruction of reactions involving rare-isotope beams. The main focus of the research is the 19N(p,2p)18C reaction at relativistic energies, which provides direct access to the single-particle structure of 18C. By analyzing both bound and unbound final states, momentum distributions and exclusive cross sections are extracted and compared with theoretical calculations using different models, namely MOMDIS, Faddeev/AGS, and Tostevin's framework.
Computational simulation of metal-organic frameworks for biomass valorization
(2025) Le, Thi Thanh Hiep; Ortuño Maqueda, Manuel Ángel; Universidade de Santiago de Compostela. Escola de Doutoramento Internacional (EDIUS)
This dissertation aims to employ computational techniques to investigate and advance the structural and catalytic properties of MOFs, particularly for biomass conversion. By integrating density functional theory (DFT), semiempirical quantum mechanical (SQM) methods, and structural featurization, the study provides insight into reaction mechanisms, catalytic performance, and selectivity control to support the rational design of MOF catalysts. A key aspect of this work is the interplay between finite-cluster models and periodic models, allowing a comprehensive evaluation of catalytic behavior at different scales.
Control e Automatización en Biofísica Aplicada á Medicina
(2025) Paramés Estévez, Santiago; Pérez Muñuzuri, Alberto; Universidade de Santiago de Compostela. Escola de Doutoramento Internacional (EDIUS)
Nesta tese proponse o desenvolvemento e estudo de sistemas de control e automatización enfocados cara o ámbito clínico e experimental. O traballo constará de dúas partes ben diferenciadas pero complementarias. Na primeira os esforzos dedicaranse ó estudo de distintas variacións que se poden levar a cabo en sistemas microfluídicos para controlar o comportamento do experimento. Esta variación farase de xeito progresivo, comezando por técnicas pasivas, como cambio de forma de nanopartículas circulando polo sistema ou cambio da xeometría do dispositivo microfluídico para modificar sutilmente a interacción líquido estrutura. Esta parte culmina coa proba de técnicas activas coas que se experimentará co aproveitmento da enerxía proporcionada pola inxección de líquido, así como coa creación de materiais intelixentes que poidan xerar calor ante a aplicación dun campo magnético.

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