Synthesis of covalent organic structures for photocatalysis and energy storage
Authorship
M.C.V.
Bachelor of Chemistry
M.C.V.
Bachelor of Chemistry
Defense date
02.19.2026 10:00
02.19.2026 10:00
Summary
Covalent organic frameworks (COFs) are crystalline, porous organic polymers formed by building blocks joined by covalent bonds, which give them high stability, structural order and adjustable porosity. These characteristics make COFs materials of great interest for various applications, such as heterogeneous catalysis, gas storage and separation, and energy storage. In this work, two COFs with different functional approaches were synthesised and characterised: a COF metallised with palladium nanoparticles (Pd@BypTp), intended to evaluate its potential in heterogeneous photocatalysis, and the COF DAAQ-TFP, used as an active cathode material in lithium batteries. Both materials were characterised using physicochemical techniques to study their crystallinity, porosity and stability. The results obtained highlight the great potential of COFs as advanced and versatile materials for energy and catalytic applications.
Covalent organic frameworks (COFs) are crystalline, porous organic polymers formed by building blocks joined by covalent bonds, which give them high stability, structural order and adjustable porosity. These characteristics make COFs materials of great interest for various applications, such as heterogeneous catalysis, gas storage and separation, and energy storage. In this work, two COFs with different functional approaches were synthesised and characterised: a COF metallised with palladium nanoparticles (Pd@BypTp), intended to evaluate its potential in heterogeneous photocatalysis, and the COF DAAQ-TFP, used as an active cathode material in lithium batteries. Both materials were characterised using physicochemical techniques to study their crystallinity, porosity and stability. The results obtained highlight the great potential of COFs as advanced and versatile materials for energy and catalytic applications.
Direction
Souto Salom, Manuel (Tutorships)
Souto Salom, Manuel (Tutorships)
Court
GARCIA JARES, CARMEN MARIA (Chairman)
LAZZARI , MASSIMO (Secretary)
FIOL LOPEZ, SARAH (Member)
GARCIA JARES, CARMEN MARIA (Chairman)
LAZZARI , MASSIMO (Secretary)
FIOL LOPEZ, SARAH (Member)
Exploring synthetic radical photocatalysis for bioorthogonal applications
Authorship
U.D.L.
Bachelor of Chemistry
U.D.L.
Bachelor of Chemistry
Defense date
02.19.2026 10:00
02.19.2026 10:00
Summary
Bioorthogonal chemistry enables the development of artificial chemical transformations within living organisms, without interfering with their native biochemical processes. In this context, low energy visible-light photocatalysis remains an underexplored strategy, with great potential to carry out such transformations under mild and biocompatible conditions. In this Degree Final Project, the reactivity of alkyl radicals generated through photoredox catalysis from redox-active esters (RAEs) was studied using three main approaches: the evaluation of their reactivity with Giese-type acceptors, their oxidation or dimerization, and their participation in redox-neutral reactions. These transformations were carried out in aqueous media, in the presence of air, under low-energy visible-light irradiation (green and red) and at room temperature, conditions that are potentially compatible with biological systems. These results represent a step forward toward the application of synthetic radical photocatalysis in biological media and open new ways for the development of reactions in cellular environments.
Bioorthogonal chemistry enables the development of artificial chemical transformations within living organisms, without interfering with their native biochemical processes. In this context, low energy visible-light photocatalysis remains an underexplored strategy, with great potential to carry out such transformations under mild and biocompatible conditions. In this Degree Final Project, the reactivity of alkyl radicals generated through photoredox catalysis from redox-active esters (RAEs) was studied using three main approaches: the evaluation of their reactivity with Giese-type acceptors, their oxidation or dimerization, and their participation in redox-neutral reactions. These transformations were carried out in aqueous media, in the presence of air, under low-energy visible-light irradiation (green and red) and at room temperature, conditions that are potentially compatible with biological systems. These results represent a step forward toward the application of synthetic radical photocatalysis in biological media and open new ways for the development of reactions in cellular environments.
Direction
Mascareñas Cid, Jose Luis (Tutorships)
MATO GOMEZ, MAURO (Co-tutorships)
Mascareñas Cid, Jose Luis (Tutorships)
MATO GOMEZ, MAURO (Co-tutorships)
Court
FONDO BUSTO, MARIA MATILDE (Chairman)
NAPPI , MANUEL (Secretary)
GIMENEZ LOPEZ, MARIA DEL CARMEN (Member)
FONDO BUSTO, MARIA MATILDE (Chairman)
NAPPI , MANUEL (Secretary)
GIMENEZ LOPEZ, MARIA DEL CARMEN (Member)
Study of the sequential and direct emission of the Hoyle state
Authorship
A.D.L.
Double bachelor degree in Physics and Chemistry
A.D.L.
Double bachelor degree in Physics and Chemistry
Defense date
02.03.2026 09:30
02.03.2026 09:30
Summary
Understanding the mechanisms responsible for nucleosynthesis in stars is crucial for explaining the chemical composition of the universe, as stars are the source of essential elements for life such as oxygen, nitrogen, and carbon. In this context, the study of alpha cluster structures that some excited states of light nuclei can possess is particularly interesting. A fundamental example is the Hoyle state in 12C, key to carbon formation in stars, but analogous states are predicted in nuclei proportional to the number of alpha particles, making 16O a candidate for possessing one of these states. This work analyzes the alpha decay channels of the 16O nucleus using kinematic simulations performed with Root, with the aim of characterizing the different decay mechanisms. Both sequential processes, dominated by intermediate states such as 8Be or the Hoyle state, and simultaneous processes are studied. These are compared using kinetic energy spectra, angular distributions, and Dalitz diagrams, which provide a clear representation of the energy correlations between alpha particles. The main objectives of this work are to understand the importance of the Hoyle state, to become familiar with simulation and analysis packages such as Root, to simulate direct and sequential emissions, and finally, to determine the capacity of the obtained Dalitz diagrams to allow for qualitative differentiation between the available decay channels.
Understanding the mechanisms responsible for nucleosynthesis in stars is crucial for explaining the chemical composition of the universe, as stars are the source of essential elements for life such as oxygen, nitrogen, and carbon. In this context, the study of alpha cluster structures that some excited states of light nuclei can possess is particularly interesting. A fundamental example is the Hoyle state in 12C, key to carbon formation in stars, but analogous states are predicted in nuclei proportional to the number of alpha particles, making 16O a candidate for possessing one of these states. This work analyzes the alpha decay channels of the 16O nucleus using kinematic simulations performed with Root, with the aim of characterizing the different decay mechanisms. Both sequential processes, dominated by intermediate states such as 8Be or the Hoyle state, and simultaneous processes are studied. These are compared using kinetic energy spectra, angular distributions, and Dalitz diagrams, which provide a clear representation of the energy correlations between alpha particles. The main objectives of this work are to understand the importance of the Hoyle state, to become familiar with simulation and analysis packages such as Root, to simulate direct and sequential emissions, and finally, to determine the capacity of the obtained Dalitz diagrams to allow for qualitative differentiation between the available decay channels.
Direction
FERNANDEZ DOMINGUEZ, BEATRIZ (Tutorships)
Blanco Calviño, Iván (Co-tutorships)
FERNANDEZ DOMINGUEZ, BEATRIZ (Tutorships)
Blanco Calviño, Iván (Co-tutorships)
Court
SABORIDO SILVA, JUAN JOSE (Chairman)
CAAMAÑO FRESCO, MANUEL (Secretary)
GOMEZ RODRIGUEZ, FAUSTINO (Member)
SABORIDO SILVA, JUAN JOSE (Chairman)
CAAMAÑO FRESCO, MANUEL (Secretary)
GOMEZ RODRIGUEZ, FAUSTINO (Member)
Study of halogenation reactions of biomolecules
Authorship
A.D.L.
Double bachelor degree in Physics and Chemistry
A.D.L.
Double bachelor degree in Physics and Chemistry
Defense date
02.19.2026 10:00
02.19.2026 10:00
Summary
Hypochlorous acid is an oxidizing agent capable of fighting pathogens, while in excess it can also damage healthy tissues, contributing to the development of inflammatory diseases. In this work, the chlorine transfer reaction from hypochlorite to imidazole, a compound that constitutes a good model of the histidine side chain, was kinetically studied. Studying this reaction by UV-Vis spectrophotometry revealed that the process is first-order regarding each of the reactants. Analysis of the influence of pH on the observed second-order rate constant, along with the absence of general acid-base catalysis, led to the proposal of a reaction mechanism in which in the rate-determining step the nucleophilic attack of imidazole on the chlorine atom of hypochlorous acid occurs. The specific acid-base catalysis observed is due to the rapid ionization equilibria of both reactants in the pH range studied. In agreement with the proposed mechanism, a value of the second-order rate constant for the reaction of 1,48 10 5 M-1 s-1 was determined at I = 0,5 M and 25,0 ºC. This value is in agreement with that which can be estimated from literature data at physiological pH for the chlorination of the imidazole ring by hypochlorous acid in model histidine compounds.
Hypochlorous acid is an oxidizing agent capable of fighting pathogens, while in excess it can also damage healthy tissues, contributing to the development of inflammatory diseases. In this work, the chlorine transfer reaction from hypochlorite to imidazole, a compound that constitutes a good model of the histidine side chain, was kinetically studied. Studying this reaction by UV-Vis spectrophotometry revealed that the process is first-order regarding each of the reactants. Analysis of the influence of pH on the observed second-order rate constant, along with the absence of general acid-base catalysis, led to the proposal of a reaction mechanism in which in the rate-determining step the nucleophilic attack of imidazole on the chlorine atom of hypochlorous acid occurs. The specific acid-base catalysis observed is due to the rapid ionization equilibria of both reactants in the pH range studied. In agreement with the proposed mechanism, a value of the second-order rate constant for the reaction of 1,48 10 5 M-1 s-1 was determined at I = 0,5 M and 25,0 ºC. This value is in agreement with that which can be estimated from literature data at physiological pH for the chlorination of the imidazole ring by hypochlorous acid in model histidine compounds.
Direction
RIOS RODRIGUEZ, ANA MARIA (Tutorships)
CRUGEIRAS MARTINEZ, JUAN (Co-tutorships)
RIOS RODRIGUEZ, ANA MARIA (Tutorships)
CRUGEIRAS MARTINEZ, JUAN (Co-tutorships)
Court
GARCIA JARES, CARMEN MARIA (Chairman)
LAZZARI , MASSIMO (Secretary)
FIOL LOPEZ, SARAH (Member)
GARCIA JARES, CARMEN MARIA (Chairman)
LAZZARI , MASSIMO (Secretary)
FIOL LOPEZ, SARAH (Member)
Biological applications of cyclometallated Pd, Pt, and Ru compounds in recent years.
Authorship
A.L.M.
Bachelor of Chemistry
A.L.M.
Bachelor of Chemistry
Defense date
02.19.2026 10:00
02.19.2026 10:00
Summary
This work is based on a literature review regarding the biological applications of cyclometallated Pd, Pt, and Ru compounds with Schiff base, thiosemicarbazone, and iminophosphorane ligands, with the primary objective of evaluating their potential as antimicrobial and anticancer agents. The study analyzes how the physicochemical stability of metallacycles and the formation of the chelate ring allow for the design of new drugs. Various mechanisms of action are also addressed, such as DNA intercalation or the increase in lipophilicity. To carry out this work, a bibliographic search of articles published since 2020 was conducted using different databases and repositories, such as Web of Science (WoS), SciFinder, Minerva, and Iacobus. Peer-reviewed scientific articles describing well-characterized cyclometallated complexes and evaluating their biological activity were included. Studies that were not available in open access were excluded. Articles published in both English and Spanish were selected.
This work is based on a literature review regarding the biological applications of cyclometallated Pd, Pt, and Ru compounds with Schiff base, thiosemicarbazone, and iminophosphorane ligands, with the primary objective of evaluating their potential as antimicrobial and anticancer agents. The study analyzes how the physicochemical stability of metallacycles and the formation of the chelate ring allow for the design of new drugs. Various mechanisms of action are also addressed, such as DNA intercalation or the increase in lipophilicity. To carry out this work, a bibliographic search of articles published since 2020 was conducted using different databases and repositories, such as Web of Science (WoS), SciFinder, Minerva, and Iacobus. Peer-reviewed scientific articles describing well-characterized cyclometallated complexes and evaluating their biological activity were included. Studies that were not available in open access were excluded. Articles published in both English and Spanish were selected.
Direction
LUCIO MARTINEZ, MARIA DE FATIMA (Tutorships)
ORTIGUEIRA AMOR, JUAN MANUEL (Co-tutorships)
LUCIO MARTINEZ, MARIA DE FATIMA (Tutorships)
ORTIGUEIRA AMOR, JUAN MANUEL (Co-tutorships)
Court
FONDO BUSTO, MARIA MATILDE (Chairman)
NAPPI , MANUEL (Secretary)
GIMENEZ LOPEZ, MARIA DEL CARMEN (Member)
FONDO BUSTO, MARIA MATILDE (Chairman)
NAPPI , MANUEL (Secretary)
GIMENEZ LOPEZ, MARIA DEL CARMEN (Member)
Remote functionalization as a key step in the synthesis of vitamin D metabolites modified at C18.
Authorship
R.L.V.
Bachelor of Chemistry
R.L.V.
Bachelor of Chemistry
Defense date
02.19.2026 10:00
02.19.2026 10:00
Summary
In this work, the synthesis of new vitamin D metabolites functionalized at the C18 angular methyl group was addressed, aiming to incorporate a carborane fragment for potential application in Boron Neutron Capture Therapy (BNCT). The C18 position was strategically selected to avoid interference with the Vitamin D Binding Protein (DBP). As a key step, remote functionalization of the C18 methyl was carried out on des-AB-steroidal systems. The use of lead tetraacetate allowed the synthesis of the target intermediate, triacetate 20, with an overall yield of 25% after four steps. Furthermore, the exploration of alternative conditions using (diacetoxyiodo)benzene and ultrasound led to an unexpected result that allowed access to a new derivative, tetraacetate 39, with an overall yield of 17%.
In this work, the synthesis of new vitamin D metabolites functionalized at the C18 angular methyl group was addressed, aiming to incorporate a carborane fragment for potential application in Boron Neutron Capture Therapy (BNCT). The C18 position was strategically selected to avoid interference with the Vitamin D Binding Protein (DBP). As a key step, remote functionalization of the C18 methyl was carried out on des-AB-steroidal systems. The use of lead tetraacetate allowed the synthesis of the target intermediate, triacetate 20, with an overall yield of 25% after four steps. Furthermore, the exploration of alternative conditions using (diacetoxyiodo)benzene and ultrasound led to an unexpected result that allowed access to a new derivative, tetraacetate 39, with an overall yield of 17%.
Direction
PAZ CASTAÑAL, MANUEL MARIA (Tutorships)
PAZ CASTAÑAL, MANUEL MARIA (Tutorships)
Court
FONDO BUSTO, MARIA MATILDE (Chairman)
NAPPI , MANUEL (Secretary)
GIMENEZ LOPEZ, MARIA DEL CARMEN (Member)
FONDO BUSTO, MARIA MATILDE (Chairman)
NAPPI , MANUEL (Secretary)
GIMENEZ LOPEZ, MARIA DEL CARMEN (Member)
New approaches to the synthesis of dendrimers by azide-alkyne cycloaddition.
Authorship
A.L.V.
Bachelor of Chemistry
A.L.V.
Bachelor of Chemistry
Defense date
02.19.2026 10:00
02.19.2026 10:00
Summary
Dendrimers are synthetic macromolecules with a tree-like structure and unique properties. They are built from a central core through the iterative and controlled addition of repeating layers of branching units. Their globular architecture at the nanoscale, their monodispersity, and their multivalent nature position them as ideal candidates for application in diverse fields, such as catalysis, nanomedicine, drug delivery, and materials science. In nature, we can find numerous examples of dendritic structures that optimize specific functions, which encourage research into the development of more efficient synthetic methodologies that facilitate their preparation and functionalization. This project consists of the design and optimization of a new synthetic route for obtaining dendrimers from commercial reagents. The dendritic building block was constructed using divergent methods and [3+2] azide-alkyne cycloaddition reactions.
Dendrimers are synthetic macromolecules with a tree-like structure and unique properties. They are built from a central core through the iterative and controlled addition of repeating layers of branching units. Their globular architecture at the nanoscale, their monodispersity, and their multivalent nature position them as ideal candidates for application in diverse fields, such as catalysis, nanomedicine, drug delivery, and materials science. In nature, we can find numerous examples of dendritic structures that optimize specific functions, which encourage research into the development of more efficient synthetic methodologies that facilitate their preparation and functionalization. This project consists of the design and optimization of a new synthetic route for obtaining dendrimers from commercial reagents. The dendritic building block was constructed using divergent methods and [3+2] azide-alkyne cycloaddition reactions.
Direction
FERNANDEZ MEGIA, EDUARDO (Tutorships)
FERNANDEZ MEGIA, EDUARDO (Tutorships)
Court
FONDO BUSTO, MARIA MATILDE (Chairman)
NAPPI , MANUEL (Secretary)
GIMENEZ LOPEZ, MARIA DEL CARMEN (Member)
FONDO BUSTO, MARIA MATILDE (Chairman)
NAPPI , MANUEL (Secretary)
GIMENEZ LOPEZ, MARIA DEL CARMEN (Member)
Production and characterization of 'emulsion template' oleogels stabilized with carrageenans from red algae
Authorship
L.L.D.
Bachelor of Chemistry
L.L.D.
Bachelor of Chemistry
Defense date
02.19.2026 10:00
02.19.2026 10:00
Summary
In this work, carrageenan was obtained from the red alga Chondrus crispus and its ability to structure high-oil-content systems was evaluated using the 'emulsion template' approach (gelled emulsion). Extraction was carried out by combining thermal and enzymatic treatment (alpha amylase), followed by ethanol precipitation and drying, achieving yields from 14.4 to 36.3% depending on the batch, with variability influenced by sample losses during processing and by heterogeneity of the starting material. The carrageenan was characterized by capillary viscometry in 0.5 M NaCl, obtaining [viscosity] = 1.23 and 1.57 dL·g-1 and an apparent Mv of 372 and 488 kDa. Oil-in-water (O/W) emulsions were formulated with 60% oil and 1.5% carrageenan, varying KCl (0.25 to 0.75%) to modulate the structure. Oscillatory rheology showed an LVR up to ~1% strain and solid-elastic behavior (G' higher than G''; tan delta lower than 0.15); G' was highest at 0.25% KCl and decreased as salinity increased. TPA revealed maximum hardness at 0.50 and 0.65% KCl and a marked drop at 0.75%. OBC increased to a maximum of 96.53 +/- 1.04% at 0.65% KCl. Overall, 0.50 and 0.65% KCl provided the best compromise in texture and OBC, while the highest G' in the LVR was obtained at 0.25% KCl.
In this work, carrageenan was obtained from the red alga Chondrus crispus and its ability to structure high-oil-content systems was evaluated using the 'emulsion template' approach (gelled emulsion). Extraction was carried out by combining thermal and enzymatic treatment (alpha amylase), followed by ethanol precipitation and drying, achieving yields from 14.4 to 36.3% depending on the batch, with variability influenced by sample losses during processing and by heterogeneity of the starting material. The carrageenan was characterized by capillary viscometry in 0.5 M NaCl, obtaining [viscosity] = 1.23 and 1.57 dL·g-1 and an apparent Mv of 372 and 488 kDa. Oil-in-water (O/W) emulsions were formulated with 60% oil and 1.5% carrageenan, varying KCl (0.25 to 0.75%) to modulate the structure. Oscillatory rheology showed an LVR up to ~1% strain and solid-elastic behavior (G' higher than G''; tan delta lower than 0.15); G' was highest at 0.25% KCl and decreased as salinity increased. TPA revealed maximum hardness at 0.50 and 0.65% KCl and a marked drop at 0.75%. OBC increased to a maximum of 96.53 +/- 1.04% at 0.65% KCl. Overall, 0.50 and 0.65% KCl provided the best compromise in texture and OBC, while the highest G' in the LVR was obtained at 0.25% KCl.
Direction
SINEIRO TORRES, JORGE (Tutorships)
FRANCO RUIZ, DANIEL JOSE (Co-tutorships)
SINEIRO TORRES, JORGE (Tutorships)
FRANCO RUIZ, DANIEL JOSE (Co-tutorships)
Court
GARCIA JARES, CARMEN MARIA (Chairman)
LAZZARI , MASSIMO (Secretary)
FIOL LOPEZ, SARAH (Member)
GARCIA JARES, CARMEN MARIA (Chairman)
LAZZARI , MASSIMO (Secretary)
FIOL LOPEZ, SARAH (Member)
Undergraduate dissertation
Authorship
S.M.O.
Bachelor of Chemistry
S.M.O.
Bachelor of Chemistry
Defense date
02.19.2026 10:00
02.19.2026 10:00
Summary
The cyclization of (Z,Z)-1,3,5,7-octatetraene to cyclooctatriene is analysed using quantum mechanical calculations. This reaction is a pericyclic electrocyclic process, in which a conjugated system transforms into a cyclic structure. The work focuses on understanding the geometric and energetic factors associated with the transformation, using two different computational levels: HF/3-21G and B3LYP/6-31G*. For this study, the six conformational isomers of octatetraene were considered, whose arrangement of double bonds determines their structure and relative stability. For each isomer, geometric optimizations were performed and Gibbs free energies were calculated for the isomers, the transition states, and the products. These calculations help to see how geometric strain and steric effects affect each isomer’s tendency to cyclize, and to identify which conformations are energetically and electronically more favourable. Finally, the results from both methods were compared with experimental data, in order to evaluate the reliability of each computational system and their ability to describe the cyclization process accurately. This analysis allows not only to identify the isomer most likely to cyclize, but also to better understand the relationship between molecular structure, relative stability, and reactivity in linear conjugated systems.
The cyclization of (Z,Z)-1,3,5,7-octatetraene to cyclooctatriene is analysed using quantum mechanical calculations. This reaction is a pericyclic electrocyclic process, in which a conjugated system transforms into a cyclic structure. The work focuses on understanding the geometric and energetic factors associated with the transformation, using two different computational levels: HF/3-21G and B3LYP/6-31G*. For this study, the six conformational isomers of octatetraene were considered, whose arrangement of double bonds determines their structure and relative stability. For each isomer, geometric optimizations were performed and Gibbs free energies were calculated for the isomers, the transition states, and the products. These calculations help to see how geometric strain and steric effects affect each isomer’s tendency to cyclize, and to identify which conformations are energetically and electronically more favourable. Finally, the results from both methods were compared with experimental data, in order to evaluate the reliability of each computational system and their ability to describe the cyclization process accurately. This analysis allows not only to identify the isomer most likely to cyclize, but also to better understand the relationship between molecular structure, relative stability, and reactivity in linear conjugated systems.
Direction
RODRIGUEZ OTERO, JESUS (Tutorships)
RODRIGUEZ OTERO, JESUS (Tutorships)
Court
GARCIA JARES, CARMEN MARIA (Chairman)
LAZZARI , MASSIMO (Secretary)
FIOL LOPEZ, SARAH (Member)
GARCIA JARES, CARMEN MARIA (Chairman)
LAZZARI , MASSIMO (Secretary)
FIOL LOPEZ, SARAH (Member)
Application of quantum dot based composites and molecularly imprinted polymers for the fluorimetric screening of tacrolimus in clinical samples.
Authorship
A.O.L.
Bachelor of Chemistry
A.O.L.
Bachelor of Chemistry
Defense date
02.19.2026 10:00
02.19.2026 10:00
Summary
Tacrolimus is an immunosuppressant widely used in solid organ transplantation thanks to its high efficacy in preventing rejection. However, it presents a very narrow therapeutic range due to its high inter and intrapatient variability, which makes continuous monitoring essential. Traditional monitoring methods, although precise, are expensive and require complex instrumentation and highly qualified personnel, thus limiting their applicability for rapid screening purposes. In this Bachelor’s Thesis, a sensing phase based on manganese doped ZnS quantum dots combined with molecularly imprinted polymers (QD.MIPs) is developed and evaluated for the fluorimetric screening of tacrolimus in urine samples. The fluorescence properties of the quantum dots together with the recognition provided by the molecularly imprinted polymers enable the development of a highly sensitive and selective sensor toward the target analyte. The project encompasses the synthesis of the QDs and, subsequently, the QD.MIPs, as well as their characterization using FT.IR spectroscopy, X ray diffraction and electron microscopy techniques, along with the study of the sensor’s fluorimetric response. The experimental parameters influencing the analytical signal are optimized, and the effect of the biological matrix is evaluated using urine samples. In addition, the limits of detection and quantification, as well as the accuracy and precision of the developed method, are determined. The results obtained demonstrate that the sensor is capable of detecting tacrolimus in urine rapidly and selectively, confirming its potential as a non invasive, low cost screening method for therapeutic drug monitoring.
Tacrolimus is an immunosuppressant widely used in solid organ transplantation thanks to its high efficacy in preventing rejection. However, it presents a very narrow therapeutic range due to its high inter and intrapatient variability, which makes continuous monitoring essential. Traditional monitoring methods, although precise, are expensive and require complex instrumentation and highly qualified personnel, thus limiting their applicability for rapid screening purposes. In this Bachelor’s Thesis, a sensing phase based on manganese doped ZnS quantum dots combined with molecularly imprinted polymers (QD.MIPs) is developed and evaluated for the fluorimetric screening of tacrolimus in urine samples. The fluorescence properties of the quantum dots together with the recognition provided by the molecularly imprinted polymers enable the development of a highly sensitive and selective sensor toward the target analyte. The project encompasses the synthesis of the QDs and, subsequently, the QD.MIPs, as well as their characterization using FT.IR spectroscopy, X ray diffraction and electron microscopy techniques, along with the study of the sensor’s fluorimetric response. The experimental parameters influencing the analytical signal are optimized, and the effect of the biological matrix is evaluated using urine samples. In addition, the limits of detection and quantification, as well as the accuracy and precision of the developed method, are determined. The results obtained demonstrate that the sensor is capable of detecting tacrolimus in urine rapidly and selectively, confirming its potential as a non invasive, low cost screening method for therapeutic drug monitoring.
Direction
MOREDA PIÑEIRO, ANTONIO (Tutorships)
GOYANES GOYANES, ALVARO (Co-tutorships)
MOREDA PIÑEIRO, ANTONIO (Tutorships)
GOYANES GOYANES, ALVARO (Co-tutorships)
Court
GARCIA JARES, CARMEN MARIA (Chairman)
LAZZARI , MASSIMO (Secretary)
FIOL LOPEZ, SARAH (Member)
GARCIA JARES, CARMEN MARIA (Chairman)
LAZZARI , MASSIMO (Secretary)
FIOL LOPEZ, SARAH (Member)
Design and preparation of paladacycles with tridentate [C,N,S] thiosemicarbazone ligands study of their reactivity with mono- and diphosphine ligands
Authorship
T.P.P.
Bachelor of Chemistry
T.P.P.
Bachelor of Chemistry
Defense date
02.19.2026 10:00
02.19.2026 10:00
Summary
The present work is about the synthesis and characterization of a series of cyclometallated palladium (II) complexes derived from thiosemicarbazones, with the aim of studying their structures and coordination modes. To this end, two starting ligands were synthesized and subjected to cyclometallation reactions with a palladium salt, incorporating mono- and diphosphines as auxiliary ligands. The characterization was carried out using NMR and IR spectroscopic techniques, which allowed the identification of changes associated with the cyclometallation process and confirmed the formation of the metal-ligand bond. In the NMR spectra, the expected chemical shift variations and the disappearance of the signals characteristic of the free ligands were observed. On the other hand, the IR spectra showed the shift of the C=N band and the disappearance of the C=S band, showing that coordination with the metal happens through the aromatic carbon, iminic nitrogen, and sulfur atoms, resulting in a compound in which the thiosemicarbazone ligand acts as a tridentate. After studying the reactivity towards diphosphines, the 31P NMR data revealed the presence of a single signal in the spectrum, indicating the formation of bridged species where both phosphorus atoms are equivalent. In the case of complexes with monophosphines, their structures were further confirmed by single-crystal X-ray diffraction.
The present work is about the synthesis and characterization of a series of cyclometallated palladium (II) complexes derived from thiosemicarbazones, with the aim of studying their structures and coordination modes. To this end, two starting ligands were synthesized and subjected to cyclometallation reactions with a palladium salt, incorporating mono- and diphosphines as auxiliary ligands. The characterization was carried out using NMR and IR spectroscopic techniques, which allowed the identification of changes associated with the cyclometallation process and confirmed the formation of the metal-ligand bond. In the NMR spectra, the expected chemical shift variations and the disappearance of the signals characteristic of the free ligands were observed. On the other hand, the IR spectra showed the shift of the C=N band and the disappearance of the C=S band, showing that coordination with the metal happens through the aromatic carbon, iminic nitrogen, and sulfur atoms, resulting in a compound in which the thiosemicarbazone ligand acts as a tridentate. After studying the reactivity towards diphosphines, the 31P NMR data revealed the presence of a single signal in the spectrum, indicating the formation of bridged species where both phosphorus atoms are equivalent. In the case of complexes with monophosphines, their structures were further confirmed by single-crystal X-ray diffraction.
Direction
LUCIO MARTINEZ, MARIA DE FATIMA (Tutorships)
NUÑEZ GONZALEZ, CRISTINA (Co-tutorships)
LUCIO MARTINEZ, MARIA DE FATIMA (Tutorships)
NUÑEZ GONZALEZ, CRISTINA (Co-tutorships)
Court
FONDO BUSTO, MARIA MATILDE (Chairman)
NAPPI , MANUEL (Secretary)
GIMENEZ LOPEZ, MARIA DEL CARMEN (Member)
FONDO BUSTO, MARIA MATILDE (Chairman)
NAPPI , MANUEL (Secretary)
GIMENEZ LOPEZ, MARIA DEL CARMEN (Member)
Nanomaterial-Based Optical Sensors: A Bibliographic Review.
Authorship
V.P.R.
Bachelor of Chemistry
V.P.R.
Bachelor of Chemistry
Defense date
02.19.2026 10:00
02.19.2026 10:00
Summary
This project presents a systematic bibliographic review on the development of nanomaterial-based optical sensors, focusing on the most relevant advances reported between 2020 and 2026. The main objective of this work is to analyze the current state of the art of these sensing platforms, considering the nanomaterials employed, the optical detection mechanisms involved, and their analytical performance in biomedical and environmental applications. Different types of nanomaterials are reviewed, including quantum dots, metallic nanoparticles, carbon based nanomaterials and metal organic frameworks, highlighting the optical properties that make them especially suitable for sensing applications. The most relevant optical transduction mechanisms (fluorescence, FRET, fluorescence quenching, LSPR and SERS) are analyzed, emphasizing their advantages and limitations depending on the sensor design and target analyte. The review shows that high sensitivity and selectivity are achieved not only through the use of nanomaterials, but also through appropriate surface functionalization strategies using molecular recognition elements. In addition, recent advances in the integration of these sensors into miniaturized platforms, such as LoC devices, portable systems and smartphone-compatible technologies, are discussed. Finally, current challenges related to reproducibility, scalability, sustainability and nanomaterial toxicity are addressed, highlighting the need for greener and more robust approaches for future applications.
This project presents a systematic bibliographic review on the development of nanomaterial-based optical sensors, focusing on the most relevant advances reported between 2020 and 2026. The main objective of this work is to analyze the current state of the art of these sensing platforms, considering the nanomaterials employed, the optical detection mechanisms involved, and their analytical performance in biomedical and environmental applications. Different types of nanomaterials are reviewed, including quantum dots, metallic nanoparticles, carbon based nanomaterials and metal organic frameworks, highlighting the optical properties that make them especially suitable for sensing applications. The most relevant optical transduction mechanisms (fluorescence, FRET, fluorescence quenching, LSPR and SERS) are analyzed, emphasizing their advantages and limitations depending on the sensor design and target analyte. The review shows that high sensitivity and selectivity are achieved not only through the use of nanomaterials, but also through appropriate surface functionalization strategies using molecular recognition elements. In addition, recent advances in the integration of these sensors into miniaturized platforms, such as LoC devices, portable systems and smartphone-compatible technologies, are discussed. Finally, current challenges related to reproducibility, scalability, sustainability and nanomaterial toxicity are addressed, highlighting the need for greener and more robust approaches for future applications.
Direction
SANMARTIN MATALOBOS, JESUS (Tutorships)
ABOAL SOMOZA, MANUEL (Co-tutorships)
SANMARTIN MATALOBOS, JESUS (Tutorships)
ABOAL SOMOZA, MANUEL (Co-tutorships)
Court
FONDO BUSTO, MARIA MATILDE (Chairman)
NAPPI , MANUEL (Secretary)
GIMENEZ LOPEZ, MARIA DEL CARMEN (Member)
FONDO BUSTO, MARIA MATILDE (Chairman)
NAPPI , MANUEL (Secretary)
GIMENEZ LOPEZ, MARIA DEL CARMEN (Member)
Undergraduate dissertation
Authorship
J.S.T.
Bachelor of Chemistry
J.S.T.
Bachelor of Chemistry
Defense date
02.19.2026 10:00
02.19.2026 10:00
Summary
The selective recognition of certain non-canonical forms of DNA is a challenge in the field of chemical biology. Specifically, three-way and four-way DNA junctions (3WJ and 4WJ, respectively) are of particular therapeutic interest, as they act as transient intermediates in certain key cellular processes, such as DNA replication, reparation and recombination. Consequently, the development of molecules with binding properties to these structures has been a booming field in recent years. This Final Degree Project presents a literature review focusing on the most significant advances related to agents that recognise these non-canonical forms of DNA. To this end, both their structural characteristics and their functional impact are analysed, especially in the induction of genetic damage and the inhibition of repair pathways in cancer cells. This review highlights the growing potential of compounds targeting these bonds in the development of selective therapeutic strategies.
The selective recognition of certain non-canonical forms of DNA is a challenge in the field of chemical biology. Specifically, three-way and four-way DNA junctions (3WJ and 4WJ, respectively) are of particular therapeutic interest, as they act as transient intermediates in certain key cellular processes, such as DNA replication, reparation and recombination. Consequently, the development of molecules with binding properties to these structures has been a booming field in recent years. This Final Degree Project presents a literature review focusing on the most significant advances related to agents that recognise these non-canonical forms of DNA. To this end, both their structural characteristics and their functional impact are analysed, especially in the induction of genetic damage and the inhibition of repair pathways in cancer cells. This review highlights the growing potential of compounds targeting these bonds in the development of selective therapeutic strategies.
Direction
VAZQUEZ LOPEZ, MIGUEL (Tutorships)
SANCHEZ-BRUNETE GAYOSO, DIEGO (Co-tutorships)
VAZQUEZ LOPEZ, MIGUEL (Tutorships)
SANCHEZ-BRUNETE GAYOSO, DIEGO (Co-tutorships)
Court
FONDO BUSTO, MARIA MATILDE (Chairman)
NAPPI , MANUEL (Secretary)
GIMENEZ LOPEZ, MARIA DEL CARMEN (Member)
FONDO BUSTO, MARIA MATILDE (Chairman)
NAPPI , MANUEL (Secretary)
GIMENEZ LOPEZ, MARIA DEL CARMEN (Member)
Study of turbulence generation in a two-dimensional flow: effect of Reynolds number, presence of obstacles and boundary conditions.
Authorship
M.J.S.P.
Double bachelor degree in Physics and Chemistry
M.J.S.P.
Double bachelor degree in Physics and Chemistry
Defense date
02.03.2026 09:30
02.03.2026 09:30
Summary
The present work consists of a theoretical and numerical study of turbulence in two-dimensional flows using the Lattice Boltzmann Method (LBM). First, a comparative analysis of turbulence in two and three dimensions is carried out, with particular emphasis on the energy and enstrophy transfer cascades across different scales. These theoretical concepts are used as a framework to interpret the results obtained from the simulations. The method is implemented for an incompressible, viscous two-dimensional flow, characterized by the Reynolds number, which moves through a finite rectangular domain containing a set of disks. Boundary conditions are applied at the inlet and outlet boundaries (Zou/He method), at the lateral walls, and on the obstacles (bounce-back conditions).
The present work consists of a theoretical and numerical study of turbulence in two-dimensional flows using the Lattice Boltzmann Method (LBM). First, a comparative analysis of turbulence in two and three dimensions is carried out, with particular emphasis on the energy and enstrophy transfer cascades across different scales. These theoretical concepts are used as a framework to interpret the results obtained from the simulations. The method is implemented for an incompressible, viscous two-dimensional flow, characterized by the Reynolds number, which moves through a finite rectangular domain containing a set of disks. Boundary conditions are applied at the inlet and outlet boundaries (Zou/He method), at the lateral walls, and on the obstacles (bounce-back conditions).
Direction
Pérez Muñuzuri, Vicente (Tutorships)
Dapena García, Raquel (Co-tutorships)
Pérez Muñuzuri, Vicente (Tutorships)
Dapena García, Raquel (Co-tutorships)
Court
SABORIDO SILVA, JUAN JOSE (Chairman)
CAAMAÑO FRESCO, MANUEL (Secretary)
GOMEZ RODRIGUEZ, FAUSTINO (Member)
SABORIDO SILVA, JUAN JOSE (Chairman)
CAAMAÑO FRESCO, MANUEL (Secretary)
GOMEZ RODRIGUEZ, FAUSTINO (Member)