Alberto Sols Biomedical Research Institute
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Estudios computacionales de propiedades termodinámicas de sistemas nanoconfinados: inclusión de He en hidratos
No full textTesis Doctoral inédita leída en la Universidad Autónoma de Madrid, Facultad de Ciencias, Departamento de Química. Fecha de Lectura: 19-10-2023Esta tesis tiene embargado el acceso al texto completo hasta el 19-04-2025The primary focus of this thesis is to study the impact of incorporating helium atoms into hydrostructures,
spanning from clathrate-like and ice-like clusters up to complete periodic crystalline systems. Noble-gas hydrates
are of particular interest, due to their ability to keep trapped such inert gases. The recent synthesis of some
noble gas (Ne, He) clathrate hydrates and the previously reported presence of He in ice frameworks, as well as
their potential implication in the stabilization and discovery of new low-density ices, combined with the limited
information available on such hydrates, serve as strong motivations to expand our understanding of these relatively
unexplored systems.
One of the main features of these He-filled structures is the stability conferred by the weak van der Waals
dispersion forces occurred between the host lattice and the guest atoms (noble gas in our case), in addition to the
hydrogen bonds established among the water molecules. Hence, it is crucial to have reliable reference data in
order to accurately describe these interactions. As a result, the first part of this thesis is devoted to the systematic
examination of the performance and accuracy of various conventional and modern DFT functionals, as well as
available analytical model potentials, in comparison with high-level, well-converged wave function-based datasets.
In this manner, benchmark reference datasets for He@hydrate frameworks are gathered and utilized to identify
the computationally viable, best-performing DFT functionals. Minimum and non-minimun configurations of a
selection of clathrate-like and ice-like fundamental units and building blocks are considered in order to ensure a
correct characterization of the underlying forces in repulsive, near-equilibrium, and asymptotic/long-range regions
of the full potential energy surface. As the quality of the data has profound implications on the development of
models, the outcome of such benchmark studies becomes essential guidance for forthcoming new chem-informatics
potentials and force-fields models.
Enthalpy, Gibbs free energy and entropy are practical and important thermodynamic properties, that provide
valuable information about the course of a formation/dissociation reaction. The second part of this thesis involves
utilizing first-principles DFT approaches to analyse the variations in H, G, and S under different T-P
conditions, specifically focusing on the encapsulation of He atoms within sII clathrate-like cages, both individual or
connected to their neighbor cage, and ice II/ice XVII individual channels. Moreover, we investigate the feasibility
of including an increased number of He atoms inside the different size cages of the sII structure, assessing structural
and energetic properties such as binding or evaporation energies. The idea of this investigation is to determine
whether it is viable to obtain a meaningful and orientative initial estimate regarding the thermodynamic feasibility
and spontaneous nature of the formation process of He-filled clathrate/ice structures through the analysis of
finite-size clathrate-like and ice-like cluster frameworksLa realización de esta tesis ha sido posible gracias a la financiación brindada por los proyectos FIS2017-
83157-P (MINECO), IND2018/TIC-9467 (COMUNIDAD DE MADRID) y PID2020-114654GB-I00
(MICINN), así como COST Actions CA18212(MDGAS) y CA21101(COSY
Los tópicos, las formas y el léxico de la poesía funeraria a partir de los CLE de las Galias
No full textTesis Doctoral inédita leída en la Universidad Autónoma de Madrid, Facultad de Filosofía y Letras, Departamento de Filología Clásica. Fecha de Lectura: 24-10-2023Esta tesis tiene embargado el acceso al texto completo hasta el 24-04-2025Este nuevo trabajo sobre los carmina Latina epigraphica se centra en el estudio de los temas recurrentes en la poesía funeraria, centrados en el territorio de las Galias. A partir de la pérdida del ser querido, los familiares expresan en los epitafios sentimientos de tristeza, pero también consolaciones y alabanzas del difunto. Nuestro objetivo es el análisis de estos lugares comunes y de las diferentes formulaciones que en ellos se utilizan y su relación con la literatura. Este estudio se ocupa principalmente de las inscripciones de época pagana, aunque dedicamos también parte de nuestro trabajo a la evolución de estos motivos con la llegada del cristianismo, así como de aquellos poemas escritos en griego en el territorio galoThis new work on Latin epigraphic carmina focuses on the study of recurring themes in funerary poetry, centered in the territory of the Gauls. Following the loss of a loved one, relatives express feelings of sadness, but also consolation and praises for the deceased in epitaphs. Our objective is to analyze these commonplaces and the various formulations used within them, as well as their relationship with literature. This study primarily focuses on inscriptions from the pagan era, although we also dedicate part of our work to the evolution of these motifs with the arrival of Christianity, as well as those poems written in Greek within the Gallic territor
NamedCurves: Learned image enhancement via color naming
No full textThis version of the article has been accepted for publication, after peer review (when applicable) and is subject to Springer Nature’s AM terms of use, but is not the Version of Record and does not reflect post-acceptance improvements, or any corrections. The Version of Record is available online at: http://dx.doi.org/10.1007/978-3-031-73209-6_6A popular method for enhancing images involves learning the style of a professional photo editor using pairs of training images comprised of the original input with the editor-enhanced version. When manipulating images, many editing tools offer a feature that allows the user to manipulate a limited selection of familiar colors. Editing by color name allows easy adjustment of elements like the “blue” of the sky or the “green” of trees. Inspired by this approach to color manipulation, we propose NamedCurves, a learning-based image enhancement technique that separates the image into a small set of named colors. Our method learns to globally adjust the image for each specific named color via tone curves and then combines the images using an attention-based fusion mechanism to mimic spatial editing. We demonstrate the effectiveness of our method against several competing methods on the well-known Adobe 5K dataset and the PPR10K dataset, showing notable improvementsDSL, LH, and JVC were supported by Grant PID2021-128178OB-I00 funded by MCIN/AEI/10.13039/501100011033 and by ERDF “A way of making Europe”, by the Departament de Recerca i Universitats from Generalitat de Catalunya with reference 2021SGR01499, and by the Generalitat de Catalunya CERCA Program. DSL also acknowledges the FPI grant from Spanish Ministry of Science and Innovation (PRE2022-101525). LH was also supported by the Ramon y Cajal grant RYC2019-027020-I. MSB was supported by CFREF (VISTA) program, an NSERC Discovery Grant, and the Canada Research Chair progra
“The farmer, the guide, and the bridge”: the voice of community partners within European Service-Learning
No full textService-learning (SL) represents one of the actions for community engagement institutionalisation and a way to achieve the teaching and learning objectives of the university and answer local organisations’ needs identified by the community. Studies on the benefits and impacts of service-learning experiences among community partners (rather than students) are rare, especially in higher education and European settings. This study therefore drew on semi-structured interviews with community partners in higher education in three European countries–Italy, Spain, and Slovakia to explore their motivations to join, experiences of, and perspectives on service-learning effects (including organisational empowerment, reciprocity, and civic responsibility). This paper contributes to developing understandings of specific aspects of community partners’ service-learning experiences by exploring the role of reciprocity, how it is oriented and how it relates to the perceived impact of service-learning on community partners’ organisations, their motivations to join SL, and the organisational empowerment that SL can underpin. Consideration is also given to the space allowed to promote a sense of civic responsibility within the experience. Five research questions were posited: 1: How do community partners perceive reciprocity? Does this perception change over time? 2: What are the perceived SL effects for community partners? 3: What are the community partners’ motivations for joining SL? 4: What are the effects of SL on community partners’ organisational empowerment? 5: To what extent do community partners perceive that SL can promote civic responsibility among university students
Patologías del sistema de planeamiento urbanístico español y el debate sobre los remedios para favorecer la seguridad jurídica
No full textLost in translation. Classic, romantic and postmodern irony
Get PDFEn el texto se atiende a los diferentes usos de «ironía» por parte de autores representativos de distintas épocas del pensamiento y se reflexiona acerca de la polisemia del término y sus implicaciones filosóficas. Concretamente se observa un desplazamiento en el uso retórico que convierte a la ironía postmoderna en un recurso fundamentalmente conservador del orden socialThis article explores the different uses of «irony» by representaive authors of different
periods of intelectual history and thinks about the polysemy of the term and its philosophical
implications. In particular we can see a displacement in its rtheorical use that turns
postmodern irony into a conservative device in terms of social orde
What is formative assessment? Conceptualization and level of knowledge of basic education teachers
Get PDFPara la investigación y la práctica educativa, es fundamental saber el grado de conocimiento
que el profesorado considera que tiene sobre la evaluación formativa, así como cuáles
son sus ideas sobre dicho concepto. Sin embargo, la investigación en este ámbito es escasa.
Por ello, esta investigación se plantea (1) analizar la percepción del profesorado sobre su grado
de conocimiento del concepto evaluación formativa y valorar si existen diferencias estadísticamente
significativas en función de la etapa educativa en la que ejercen docencia, de
la formación en evaluación recibida, del número de actividades formativas sobre evaluación
realizadas y de sus años de experiencia docente; y (2) analizar la concepción teórica que el
profesorado tiene sobre la evaluación formativa. Para ello, se empleó un diseño mixto con 713
docentes de educación primaria (39.1 %) y secundaria (60.9 %). Para la recogida de información,
se empleó el cuestionario #EvalFormEPESO. En concreto, el ítem sobre el grado de conocimiento
del concepto evaluación formativa y una pregunta abierta que solicita su definición.
Los resultados muestran que existen diferencias estadísticamente significativas en el grado
de conocimiento del concepto evaluación formativa en función de las variables estudiadas.
Además, las definiciones reportadas por el profesorado muestran que existen concepciones
incompletas o erróneasFor educational research and practice, it is vital to identify how much teachers believe they know
about formative assessment, as well as their ideas of the concept. However, there has been little
research in this area. Therefore, this research aims to: (1) analyse teachers’ perceived level of knowledge
of the concept formative assessment, establishing whether there are statistically significant
differences according to the educational level at which they teach, the training in assessment they
have received, the number of training activities on assessment they have completed, and their years
of teaching experience; and (2) to analyse teachers’ theoretical conception of formative assessment.
A mixed design was used with 713 teachers from primary education (39.1%) and secondary education
(60.9%). The #EvalFormEPESO questionnaire was used to collect information. Specifically, the item
about the level of knowledge of the concept formative assessment and an open-ended question
requesting its definition. The results show statistically significant differences in the level of knowledge
of the concept formative assessment depending on the variables studied. Moreover, the definitions
teachers provided show incomplete or erroneous conceptionsEste trabajo se llevó a cabo con la financiación del contrato FPI-UAM (2021) que disfruta Maite Zubillaga-Olagu
Ab initio study of electron capture in collisions of protons with CO2 molecules
Get PDFAb initio calculations of cross sections for electron capture by protons in collisions with CO2 are carried out at energies between 100 eV/u and 50 keV/u, employing a semiclassical method within the Franck–Condon framework. The scattering wave function is expanded in a set of ab initio electronic wave functions of the HCO2+ supermolecule. The calculation is performed on several trajectory orientations to obtain orientation-averaged total cross sections. A two-state model with an exponential interaction between the entrance and the lowest charge transfer channel is proposed to describe the main aspects of the charge transfer process and to estimate the precision of the molecular expansion. The symmetry of the HOMO (Formula presented.) of CO2 is relevant to choose the signs of the molecular functions and to set up the orientation average of the cross sections. Very good agreement is found with the experimental charge transfer cross section
Meritocracy under scrutiny: towards a cooperative society
No full textEl trabajo evalúa la meritocracia en términos de justicia social y propone una alternativa que mantiene los rasgos positivos y supera los negativos. Primero, se distingue el mérito del merecimiento y se define el papel de este último en la fundamentación de un sistema meritocrático. A continuación, se analizan tres concepciones de la meritocracia según cuál sea la fuente del merecimiento de las personas. De entre ellas, se selecciona la que cuenta con mejores razones y se exploran sus ventajas y desventajas. Como alternativa, se propone el ideal de una sociedad cooperativa y se expone qué sentidos de igualdad anidan en ese ideal. Asimismo, se desarrolla el modo en que una sociedad cooperativa cumple los rasgos positivos de la meritocracia, pero evita los negativos. El epílogo recoge la tradición liberal igualitaria en la que el trabajo se enmarcaThe paper evaluates meritocracy in terms of social justice and proposes an alter native that preserves the pros and overcomes the cons. First, I distinguish merit from desert, and I define the role of the latter in the rationale of a meritocratic system.
Then, I analyze three conceptions of meritocracy depending on the source of people’s desert. Among them, I select the best justified one, and I explore its pros and cons. As an alternative, I advocate for the ideal of a cooperative society, and I discuss the dimensions of equality nestled in that ideal. Also, I develop how a cooperative society fulfills the pros of meritocracy, but avoids the cons. The epilogue gathers the liberal egalitarian tradition in which the paper is framedEste trabajo se ha realizado en el marco del proyecto «Justicia ecológica y nuevas vulnerabilidades: desafíos jurídicos globales», financiado por la Agencia Estatal de Investigación y con referencia 2024/00209/00