REPASA, un Repositorio Web de objetos de aprendizaje estandarizados por taxonomías

El repositorio RepASA de material didáctico es una aplicación Web cuyo principal objetivo es el de facilitar a los alumnos y profesores de diferentes materias, compartir y acceder a material educativo que les ayude en sus estudios. A diferencia de otros recursos similares, este repositorio tiene la ventaja de que son sus propios usuarios registrados quienes, mediante sus propias subidas de material, se encargan de actualizar y de controlar sus contenidos, incluso los de otros usuarios. Nuestro objetivo principal ha sido crear una aplicación útil para todo tipo de estudiantes y profesores a la hora de compartir material didáctico de diferentes campos, además de que sea fácil de buscar y encontrar lo que se necesite, incluso donde gente no registrada también puede aprovechar lo que se publica en el repositorio. [ABSTRACT] The RepASA repository of teaching materials is a web application whose main purpose is to provide students and teachers of different subjects, share and access to educational materials to help them in their studies. Unlike other similar resources, this repository has the advantage that they are their own registered users who, through their own material upload, are responsible for updating and controlling its content, including by other users. Our main goal has been to create a useful application for all students and teachers in sharing teaching materials in different fields, as well as make it easy to search and find what you need, even no registered people can also benefit of what published in the repository

Computer application of ultrasound and nuclear magnetic resonance images for the anatomical learning of the pelvis and the female pelvic floor

[EN]Computer applications have been incorporated as valuable components in teaching, especially thanks to the advancement and innovation of new technologies during the last decades. The implementation of these computer developments in medicine and in the field of medical teaching with different utilities has been a revolution. This is manifested with greater intensity in certain medical specialties and in different areas of medical education, for example in the study of human anatomy, especially in parts of the human body of great complexity such as the pelvis and the pelvic floor of women. New technologies are also important in the use, study and interpretation of radiological tests, including ultrasound and nuclear magnetic resonance. This implies a change in the study and learning techniques of students, resident doctors and specialists in gynecology, radiodiagnosis, urology and many other medical specialties, considering new computer developments as a good alternative or complement to existing teaching methods. For this reason, we consider that computer programs like the one we present in this work can be very useful in the future of education and more specifically in the training of specialists in medicine

Sulfur hydrogen bonding and internal dynamics in the monohydrates of thenyl mercaptan and thenyl alcohol

Producción CientíficaThe monohydrates of thenyl alcohol and thenyl mercaptan have been probed in a supersonic jet expansion using chirped-pulsed and Fabry-Perot Fourier-transform microwave spectroscopy. The rotational spectra revealed a single isomer for each of the dimers. The thenyl alcohol hydrate is stabilized by an O-H···Ow hydrogen bond between the alcohol and water, with water acting as proton acceptor and additionally engaging in a Ow-H···pi interaction with the thenyl ring. Conversely, water behaves as proton donor in the thenyl mercaptan hydrate, linking to the thiol group though a Ow-H···S hydrogen bond and secondary Ow-H··· interactions to the ring. In both dimers water retains internal mobility, as tunneling doublings in the spectrum confirm an internal rotation motion of water inside the cluster. The experimental results have been complemented with density-functional-theory molecular orbital calculations, binding energy decomposition and a topological analysis of the electronic density, providing a comparative description of the effects of hydrogen bonding of water to the alcohol and thiol groups in the dimers, relevant to understand hydrogen bonding to sulfur centers.MICINN-FEDER (PGC2018-098561- B-C22) and JCyL (grant VA056G18

Chirality-Puckering correlation and intermolecular interactions in Sphingosines: Rotational spectroscopy of jaspine B3 and its monohydrate

Producción CientíficaChirality is determinant for sphingosine biofunctions and pharmacological activity, yet the reasons for the biological chiral selection are not well understood. Here, we characterized the intra- and intermolecular interactions at the headgroup of the cytotoxic anhydrophytosphingosine jaspine B, revealing chirality-dependent correlations between the puckering of the ring core and the formation of amino-alcohol hydrogen bond networks, both in the monomer and the monohydrate. Following the specific synthesis of a shortened 3-carbon side-chain molecule, denoted jaspine B3, six different isomers were observed in a jet expansion using broadband (chirped-pulsed) rotational spectroscopy. Additionally, a single isomer of the jaspine B3 monohydrate was observed, revealing the insertion of water in between the hydroxy and amino groups and the formation of a network of O-H···N-H···Oring hydrogen bonds. The specific jaspine B3 stereochemistry thus creates a double-faced molecule where the exposed lone-pair electrons may easily catalyze the formation of intermolecular aggregates and determine the sphingosine biological properties.Ministerio de Ciencia, Innovación y Universidades - Fondo Europeo de Desarrollo Regional (grant PGC2018-098561-B-C22

Environmental risk assessment of dredging processes-application to Marin harbour (NW Spain)

ABSTRACT. A methodological procedure to estimate the environmental risk of dredging operations in aquatic systems has been developed. Environmental risk estimations are based on numerical models results, which provide an appropriated spatio-temporal framework analysis to guarantee an effective decision-making process. The methodological procedure has been applied on a real dredging operation in the port of Marin (NW Spain). Results from Marin harbour confirmed the suitability of the developed methodology and the conceptual approaches as a comprehensive and practical management tool.The authors would like to thank the Marin Port Authority for the provided data. Part of this study has been sponsored by the INNPACTO programme (2008–2011) of the Spanish Ministry of Science and Innovation (IPT-310000-2100-17)

π-Stacking Isomerism in Polycyclic Aromatic Hydrocarbons: The 2-Naphthalenethiol Dimer

Producción Científicaπ-Stacking is a common descriptor for face-to-face attractive forces between aromatic hydrocarbons. However, the physical origin of this interaction remains debatable. Here we examined π-stacking in a model homodimer formed by two thiol-substituted naphthalene rings. Two isomers of the 2-naphthalenethiol dimer were discovered using rotational spectroscopy, sharing a parallel-displaced crossed orientation and absence of thiol–thiol hydrogen bonds. One of the isomers presents C2 symmetry, structurally analogous to the global minimum of the naphthalene dimer. The experimental data were rationalized with molecular orbital calculations, revealing a shallow potential energy surface. Noncovalent interactions are dominated by dispersion forces according to SAPT energy decomposition. In addition, the reduced electronic density shows a diffuse and extended region of inter-ring interactions, compatible with the description of π-stacking as a competition between dispersion and Pauli repulsion forces

Rotational spectrum and intramolecular hydrogen bonding in 1,2-butanedithiol

Producción CientíficaThe jet-cooled rotational spectrum of 1,2-butanedithiol was observed in the frequency region 2–8 GHz. Two conformers were detected for the molecule, corresponding to anti- and gauche-carbon molecular skeletons, both featuring a gauche arrangement of the two thiol groups. All 13C and 34S monosubstituted isotopologues were additionally assigned in natural abundance for the most stable anti isomer, while only the two 34S species were detected for the weaker gauche conformation. The structural analysis included ground-state effective structures, isotopic substitution coordinates, B3LYP-D3(BJ) density functional molecular orbital calculations and non-covalent interactions mapping with NCIPlot. The structural data confirm that the two thiol groups synchronize their orientation either parallel or antiparallel to support intramolecular S–H⋯S weak hydrogen bonding, reminiscent of the intramolecular hydrogen bond networks observed in adjacent alcohol groups. DFT calculations on 1,2-butanediol and 1,2-ethanedithiol offered structural comparisons with the title compound.MICIU-FEDER (grant PGC2018- 098561-B-C22) and JCyL (grant VA056G18

A 3-D model to analyze environmental effects of dredging operations - Application to the Port of Marin, Spain

ABSTRACT. Historically, the study of dredging processes has depended on physical laboratory tests. The IH-Dredge model has been developed to simulate these processes numerically. It simulates the evolution of the seabed, sediment and toxic substances involved in dredging operations. The model has been calibrated and validated with experimental data, and it has been applied in a dredging operation in the Port of Marin, Spain

Water binding to the atmospheric oxidation product methyl vinyl ketone

Producción CientíficaMethyl vinyl ketone is one of the major oxidation products of isoprene, and therefore, an important precursor of secondary organic aerosol. Understanding its interactions with water is relevant to gain insight into aerosol formation and improve the predictive power of atmospheric chemistry models. The molecular complex formed between methyl vinyl ketone and water has been generated in a supersonic jet and characterized using high-resolution microwave spectroscopy in combination with quantum chemistry calculations. In this study, we show that methyl vinyl ketone interacts with water forming four 1:1 isomers connected by O − H···O and C − H···O hydrogen bond interactions. Water has been found to preferentially bind to the antiperiplanar conformation of methyl vinyl ketone. Evidence of a large amplitude motion arising from the methyl internal rotation has been found in the rotational spectra of the dimer. The threefold methyl internal rotation barrier heights have been further determined and discussed for all the species.Ministerio de Ciencia, Innovación y Universidades (grants PID2020-117925GA-I00 and PGC2018-098561-B-C22