Structural and energy determinants in protein-RNA docking

Deciphering the structural and energetic determinants of protein-RNA interactions harbors the potential to understand key cell processes at molecular level, such as gene expression and regulation. With this purpose, computational methods like docking aim to complement current biophysical and structural biology efforts. However, the few reported docking algorithms for protein-RNA interactions show limited predictive success rates, mainly due to incomplete sampling of the conformational space of both the protein and the RNA molecules, as well as to the difficulties of the scoring function in identifying the correct docking models. Here, we have tested the predictive value of a variety of knowledge-based and energetic scoring functions on a recently published protein-RNA docking benchmark and developed a scoring function able to efficiently discriminate docking decoys. We first performed docking calculations with the bound conformation, which allowed us to analyze the problem in optimal conditions. We found that geometry-based terms and electrostatics were the most important scoring terms, while binding propensities and desolvation were much less relevant for the scoring of protein-RNA models. This is in contrast with what we observed for protein-protein docking. The results also showed an interesting dependence of the predictive rates on the flexibility of the protein molecule, which arises from the observed higher positive charge of flexible interfaces and provides hints for future development of more efficient protein-RNA docking methods.This work is supported by grant BIO2013-48213-R from Plan Nacional I+D+i (Spanish Ministry of Economy and Competitiveness). LP-C was recipient of an FPU fellowship from the Spanish Ministry of Science.Peer ReviewedPostprint (author's final draft

Environmental and energy problematic in the mediterranean irrigation regions framework

[EN] Agriculture is a significant user of water and energy in Mediterranean coasts of Europe, such as Spanish Mediterranean regions. Water implications of such irrigations are well known, but also energy must be considered when environmental implications are analyzed. Apart from this, Mediterranean region has its particular problematic framework related to irrigation issues. Often, the availability of irrigation is determinant to the viability of farmers, and the energy implications must be considered when determining the feasibility of small and big farms, particularly in the Mediterranean regions, where the wide variety of customs in each group of irrigators and definitely, its specific weather conditions, typical of a semi-arid zone. All these aspects are analyzed in this paper, as a state of the art determination of problems and possible solutions in a regional scale. Some solutions presented in this paper can contribute with theoretical reductions of emission of greenhouse gasses until 174.10 tCO2/year in pumped systems and 58.49 tCO2/year in multipurpose systems.Romero, L.; Pérez-Sánchez, M.; López Jiménez, PA. (2017). Environmental and energy problematic in the mediterranean irrigation regions framework. International Journal of Energy and Environment (IJEE). 8(1):51-62. http://hdl.handle.net/10251/99657S51628

Provisión de cobranza dudosa y su incidencia en la liquidez en un hospital público, San Martín de Porres 2014 - 2018

El desarrollo de esta investigación, tiene como objetivo determinar la incidencia de la provisión de cobranza dudosa en la liquidez en un hospital público, San Martin de Porres 2014-2018. Esta investigación es importante ya que los hospitales públicos tienen la necesidad de generar sus propios ingresos para mantener su sostenibilidad financiera, por ello se ven obligados a prestar más atención a sus créditos otorgados y a la recuperación oportuna de estas. En el desarrollo de las teorías de la primera variable se ha tomado a las NIC 36, NIC 39 y NIIF 7 y para la segunda variable se trabajó con la teoría de la preferencia por la liquidez de Keynes, además de diferentes autores para la base teórica de ambas variables. Esta investigación es de diseño no experimental y de corte longitudinal, el tipo de investigación es aplicada y de nivel descriptivo-explicativo. La población está conformada por los documentos contables del hospital Cayetano Heredia del periodo 2014 al 2018 y la muestra por los estados financieros y documentos de saldos de cuentas por cobrar dudosas del mismo periodo. Para realizar la prueba de hipótesis se ha trabajado con la prueba t suponiendo varianzas desiguales, donde P(T<=t) una cola es menor que 0.05, en el cual nos muestra la incidencia de una variable en otra. Se concluyó que la provisión de cobranza dudosa incide en la liquidez en un hospital público, San Martín de Porres 2014-2018

Interjurisdictional public policies

[EN] The purpose of this article is to present the research progress of a scholarship framed in the research project Multijurisdictional cultural policies in the city of Mar del Plata. Comparative study of investment and state management models. Period 2007-2015 . The stated objective was to analyze the regulatory framework of the public policies executed by the Municipality of General Pueyrredon (Argentina) to acquire, recover and convert the House on the Arroyo into a museum, during the period 2007-2015. The House on the Stream is a heritage asset designed by the architect. Amancio Williams and the architect. Delfina Gálvez Bunge, between 1943 and 1945. The work was developed as a case study based on documentary analysis corresponding to regulations of national, provincial and municipal jurisdiction. Finally, we can say that during the analysis period it was possible to recognize complementary and different government strategies on the same heritage asset.[ES] El presente artículo tiene como propósito presentar los avances de investigación de una beca enmarcada en el proyecto de investigación Las políticas culturales multijurisdiccionales en la ciudad de Mar del Plata. Estudio comparativo de inversión y modelos de gestión del estado. Periodo 2007-2015 . El objetivo planteado fue analizar el marco normativo de las políticas públicas ejecutadas por el Municipio de General Pueyrredon (Argentina) para adquirir, recuperar y convertir en museo a la Casa sobre el Arroyo, durante el periodo 2007-2015. La Casa sobre el Arroyo es un bien patrimonial diseñado por el arq. Amancio Williams y la arqta. Delfina Gálvez Bunge, entre 1943 y 1945. El trabajo se desarrolló como un estudio de casos a partir del análisis documental correspondientes a normativas de jurisdicción nacional, provincial y municipal. Finalmente, podemos decir que durante el periodo de análisis se pudieron reconocer estrategias gubernamentales complementarias y diferentes sobre el mismo bien patrimonial.Pérez Antrakidis, P.; Romero, LI. (2022). Políticas públicas interjurisdiccionales. Culturas. Revista de Gestión Cultural. 9(2):1-23. https://doi.org/10.4995/cs.2022.182371239

Dental topography and dietary specialization in Papionini primates

Our understanding of primate adaptive evolution depends on appreciating the way in which dental functional morphology affects food processing. The Papionini tribe of Cercopithecoidea primates shows great dietary versatility and ecological adaptations to resource seasonality across the African and Asian ecosystems, however, there are few studies focusing on the occlusal topography of the bilophodont teeth and the effect of tooth wear in the crown shape. Here, we explore the relationship between wear-related dental functional morphology and dietary ecological constraints within the Papionini. Three-dimensional (3D) polygonal meshes of the upper permanent molar row (M1-3) were obtained in a large papionine sample (838 specimens) of known dietary preferences including species from six genera (Cercocebus, Lophocebus, Macaca, Mandrillus, Papio, and Theropithecus). All the sample was classified in four diet categories and four topographic metrics (orientation patch count rotated, OPCR; Dirichlet normal energy, DNE; occlusal relief, OR; and ambient occlusion, portion de ciel visible, PCV) were measured for each tooth-type according to wear stage (lightly and moderately worn) to determine diet-related interspecific morphological changes with long-term functionality. The results indicate that hard-object feeders (Cercocebus and Lophocebus) and grass eaters (Theropithecus gelada) exhibit a pattern of occlusal complexity (OPCR), surface curvature (DNE), relief (OR), and morphological wear resistance (PCV) that is significantly different from the omnivores and folivore-frugivore species (Mandrillus and Macaca) despite the overall homogeneity of the bilophodont dentition. A multifactorial ANOVA showed that the topographic metrics were sensitive to tooth wear as expected. The results also indicate that the interspecific variability of dental topography of the upper molars reflects dietary specializations rather than phylogenetic proximity. These findings support the hypothesis that evolutionary convergence processes could have affected the Papionini, clustering the hard-object feeders (Lophocebus and Cercocebus) together in the morphospace, and clearly discriminating this group from the graminivorous and frugivores-folivores.Grants PID2020-112963GB-I00 to APP and PID2020-114517GB-I00 to AR, funded by MCIN/AEI/ 10.13039/501100011033 and by “ERDF A way of making Europe”, by the “European Union”. www.paleobaboonproject.science

Simulation Study of the Arrhythmogenic Effects of Two Missense Mutations in Human Atrial Fibrillation

[EN] Genetic mutations affecting genes encoding for ion channel protein structures have been associated with the presence of atrial fibrillation (AF) in healthy individuals. The aim of this study is to model and simulate the effects of two gain-of-function mutations found in literature, T895M and T436M, and affecting the rapid delayed rectifier potassium current. Courtemanche human atrial model has been chosen to reproduce myocytes behaviour and an optimization algorithm has been employed to fit model parameters to experimental data. Single cell and tissue patch simulations have been performed to study the effects of the two mutations in control, paroxysmal and permanent AF conditions, both in right and left atrium. 0D simulations revealed that both mutations cause an increase in IKr current, leading to action potential duration shortening and flattening of restitution curves, especially in presence of the mutation T895M. Initiation of a re-entrant activity in 2D simulations were possible both in case of T895M and T436M. The study reports the arrhythmogenicity of the two mutants and reveals T895M having a stronger effect with respect to T436M, in particular in control rather than in paroxysmal and permanent AF conditions. Differences in the dynamics of the two mutations highlight the importance of a patient-specific approach in planning targeted drug therapies.I acknowledge this work to the European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie gran agreement No.766082 and to Generalitat Valenciana, Prometeo programme 2020/043Belletti, R.; Martínez-Mateu, L.; Romero Pérez, L.; Saiz Rodríguez, FJ. (2020). Simulation Study of the Arrhythmogenic Effects of Two Missense Mutations in Human Atrial Fibrillation. IEEE. 1-4. https://doi.org/10.22489/CinC.2020.420S1

Far-field contributions in multi-electrodes atrial recordings blur distinction between anatomical and functional reentries and may cause imaginary phase singularities A computational study

[EN] Background Atrial fibrillation (AF) is the most common cardiac arrhythmia and the most important cause of embolic stroke, requiring new technologies for its better understanding and therapies. Recent approaches to map the electrical activity during AF with multi-electrode systems aim at localizing patient-specific ablation targets of reentrant patterns. However, there is a critical need to determine the accuracy of those mapping systems. We performed computer simulations as a numerical approach of systematically evaluating the influence of far-field sources on the electrical recordings and detection of rotors. Methods We constructed 2 computer models of atrial tissue: (i) a 2D sheet model with varying non-active cells area in its center, and (ii) a whole realistic 3D atrial model. Phase maps were built based on the Hilbert transform of the unipolar electrograms recorded by virtual 2D and 3D multi-electrode systems and rotors were tracked through phase singularities detections. Results Analysis of electrograms recorded away from the 2D atrial model shows that the larger the distance between an electrode and the tissue model, the stronger the far-field sources contribution to the electrogram is. Importantly, even if an electrode is positioned in contact with the tissue, the electrogram contains significant contributions from distal sources that blur the distinction between anatomical and functional reentries. Moreover, when mapping the 3D atrial model, remote activity generated false phase singularities at locations without local reentrant excitation patterns. Conclusions Far-field contributions to electrograms during AF reduce the accuracy of detecting and interpreting reentrant activity.This work was supported in part by Programa Prometeu de la Conselleria d'Educacio, Formacio I Ocupacio de la Generalitat Valenciana, award number PROMETEU/2016/088; Plan Estatal de Investigacion Cientifica y Tecnica y de Innovacion 2013-2016 del Ministerio de Economia, Industria y Competitividad of Spain, Agencia Estatal de Investigacion and the European Commission (European Regional Development Funds - ERDF -FEDER), award number DPI2016-75799-R; The National Heart, Lung, and Blood Institute grant ROl-HL118304; the Gelman Award from the Cardiovascular Division at the University of Michigan; and the Coulter Program Award from the Dept. of Biomed Eng. at the University of Michigan.Martínez-Mateu, L.; Romero Pérez, L.; Saiz Rodríguez, FJ.; Berenfeld, O. (2019). Far-field contributions in multi-electrodes atrial recordings blur distinction between anatomical and functional reentries and may cause imaginary phase singularities A computational study. Computers in Biology and Medicine. 108:276-287. https://doi.org/10.1016/j.compbiomed.2019.02.022S27628710

Sempiterno

Treball Final de Grau en Ciències de la Comunicació Audiovisual. Codi: CA0932. Curs acadèmic 2016-2017Sempiterno es un cortometraje de ficción desarrollado por Petricor Films, una productora ficticia compuesta por cinco personas. Hemos seleccionado este formato por la libertad creativa que nos ofrece y, además, supone un reto muy atractivo para todos los componentes. Sempiterno es el resultado de un duro trabajo durante varios meses. Para llevarlo a cabo, los miembros de Petricor Films desarrollamos funciones diferentes en base a nuestras experiencias y preferencias, de manera que se trabajara de una forma eficiente y coordinada. Con este filme, hemos pretendido materializar una historia sobre el Alzheimer alejándonos al máximo de los tópicos y estigmas que rodean a las representaciones audiovisuales de esta enfermedad. Para ello, y tras una exhaustiva investigación científica y audiovisual, hemos decidido abarcar la enfermedad a partir de los aspectos formales y la composición de planos, tratando de evitar los recursos narrativos excesivamente dramáticos. El desarrollo del proyecto ha estado marcado por un aprendizaje continuo. Desde un primer momento, hemos intentado desarrollar un trabajo lo más cercano posible al ámbito profesional, para lo que ha sido crucial la comunicación y el trabajo en equipo. Por otro lado, Sempiterno también nos ha ofrecido la posibilidad de enfrentarnos a problemas y situaciones de crisis que pueden darse en una producción profesional, de las que hemos tenido que salir airosos mediante nuestras propias soluciones. Gracias a los conocimientos adquiridos en clase, hemos logrado afrontar de una manera muy cercana una producción real, de manera que comprendemos mejor las etapas del proceso de realización de un producto audiovisual. Con este cortometraje esperamos haber demostrado que hemos adquirido todos los conocimientos esenciales impartidos en el grado de Comunicación Audiovisual. Así, deseamos haber realizado un proyecto lo más profesional posible, que nos sirva como carta de presentación en el futuro.Sempiterno is a fiction short film developed by Petricor Films, a fictional production company composed of five people. We have selected this format for the creative freedom that it offers us and, in addition, it presents a very attractive challenge for all the components. Sempiterno is the result of hard work for several months. To carry it out, Petricor Films members developed different functions based on our experiences and preferences, so that we worked in an efficient and coordinated way. With this film, we have tried to materialize a story about Alzheimer's, moving away from the topics and stigmas surrounding the audiovisual representations of this disease. To this end, and after extensive scientific and audiovisual research, we have decided to cover the disease from the formal aspects and the composition of planes, trying to avoid overly dramatic narrative resources. The development of the project has been marked by continuous learning. From the outset, we have tried to develop a job as close as possible to the professional field, for which communication and teamwork have been crucial. On the other hand, Sempiterno has also offered us the possibility of facing problems and situations of crisis that can occur in a professional production, from which we have had to come through with our own solutions. Thanks to the knowledge acquired in class, we have been able to deal with real production in a very close way, so we understand in a better way the stages of the process of realization of an audiovisual product. With this short film, we hope to have demonstrated that we have acquired all the essential knowledge imparted in the degree of Audiovisual Communication. Thus, we wish to have made a project as professional as possible, to serve as a letter of presentation in the future

External control of gender budget implementation: Experience of the Audit Office of Andalusia

Since the passing of Law 18 in 2003, the autonomous community of Andalusia has been implementing budgeting with a gender perspective, with the aim of correcting inequalities affecting women. The Andalusian Audit Office (AOA) analysis of the gender budgeting (GB) model applied concluded that the degree of integration of a gender perspective is insufficient. The impact of the various programmes aimed at equality have not been assessed, the objectives were too generic and homogeneous indicators are needed.This study was carried out with the financial R&D Projects. European Regional Development Fund (ERDF) and Regional Department of Economic Transformation, Industry, Knowledge and Universities Andalusia 2014-2020, Operational Program, Grant/Award Number: BSEJ-740-UGR20