Piñeiro Groba, M.A. & Siles, J. (2018). La Aurora de la Salud Mental. Una Aportación desde la Antropología de los Cuidados Psiquiátricos. Alicante: ECU. 200 pp. ISBN: 9788416966561

En esta reseña se describen las características de los cuidados mentales en las culturas preindustriales desde una perspectiva antropológica que permite abrir está compleja temática a nuevas perspectivas e interpretaciones.In this review we describe the characteristics of mental care in pre-industrial cultures from an anthropological perspective that allows us to open this complex theme to new perspectives and interpretations.Nesta revisão, descrevemos as características do cuidado mental em culturas pré-industriais a partir de uma perspectiva antropológica que nos permite abrir este tema complexo para novas perspectivas e interpretações

Calendula: simplificando a xestión terapéutica

Traballo Fin de Máster en Tecnoloxías da Información. Curso 2015-2016O obxectivo principal deste traballo é o desenvolvemento dunha ferramenta para a xestión persoal da medicación e a mellora da adherencia, integrada na operativa das oficinas de farmacia a través da Folla de Medicación Activa e do Plan de Dispensación. Proponse que para acadar este obxectivo esa ferramenta resida no teléfono móbil do paciente, e que este poida usala cando acode á farmacia para obter a información continua en ditos documentos. Como obxectivo secundario, proponse a realización dun deseño de estudio piloto que permita avaliar a capacidade da ferramenta desenvolvida para a mellora da adherencia. Por último, á hora de levar a cabo o desenvolvemento terase en conta en todo momento que se está a tratar con información sensible de carácter médico, e poñeranse en marcha as medidas precisas para garantir a seguridade de toda a información utilizada, así como cumprir coa LOPD

Computational Mechanism of Methyl Levulinate Conversion to γ-Valerolactone on UiO-66 Metal Organic Frameworks

Metal–organic frameworks (MOFs) are gaining importance in the field of biomass conversion and valorization due to their porosity, well-defined active sites, and broad tunability. But for a proper catalyst design, we first need detailed insight of the system at the atomic level. Herein, we present the reaction mechanism of methyl levulinate to γ-valerolactone on Zr-based UiO-66 by means of periodic density functional theory (DFT). We demonstrate the role of Zr-based nodes in the catalytic transfer hydrogenation (CTH) and cyclization steps. From there, we perform a computational screening to reveal key catalyst modifications to improve the process, such as node doping and linker exchangeThis work has received financial support from the Beatriu de Pinós postdoctoral program of the Government of Catalonia’s Secretariat for Universities and Research (2017-BP-00039), MINECO (under project PID2020-119116RA-I00), Xunta Distinguished Researcher program (ED431H 2020/21), the Xunta de Galicia (Centro singular de investigación de Galicia accreditation 2019-2022, ED431G 2019/03), and the European Union (European Regional Development Fund - ERDF). R.L. gratefully acknowledges funding from MINECO under project PID2019-109953GB-I00S

Mental Health in ancient societies: An approach through the works of Malinowski Bateson and Mead

Objetivo principal: Realizar una revisión de los cuidados y tratamientos psiquiátricos en las sociedades preindustriales de pequeña escala a través de las obras de Malinowski, Mead y Bateson constituye una herramienta fundamental para analizar la problemática del enfermo mental en las sociedades prehistóricas. Metodología: Se analizarán las obras de los tres antropólogos de forma comparativa mediante la confrontación de sus preceptos con elementos del modelo estructural dialéctico de los cuidados y de la educación comparada cotejando sus hallazgos con artículos actuales que aborden la salud mental en la prehistoria. Resultados principales: Estos autores han explicitado las interacciones entre el individuo y su grupo de referencia describiendo como trataban las desviaciones sociales de conducta. Conclusión principal: Los cuidados psiquiátricos de cada sociedad están en íntima consonancia con los factores socioculturales inherentes a su población.Objective: To review the cares and psychiatric treatments in primitive cultures through the works of Malinowski, Mead and Bateson is a fundamental tool to analyze the problems of mental health patients in prehistoric societies. Methods: The works of the three anthropologists were comparatively analyzed by confronting their precepts with the elements of dialectical structural model of cares and comparative education comparing their findings with current articles that address the mental health in prehistoric times. Results:The authors have explained the interactions between an individual and the reference group describing how to deal with social behavior deviations. Conclusions: Psychiatric cares of each society are closely aligned with social and cultural factors of their population

Remdesivir interactions with sulphobutylether-β-cyclodextrins: a case study using selected substitution patterns

Modified cyclodextrins (CDs) consist of a distribution of different structures with different number and location of the substituted groups. Among the most important applications of these molecules is their use as an enabling excipient in pharmaceutical formulations to provide the necessary solubility, stability and bioavailability for a drug to be effectively used. The most typical interaction mechanism of small molecular groups with CDs is the formation of host–guest inclusion complexes. The thermodynamic affinity constant between CDs and drugs should not be too strong, since then the biological activity could be negated by the formation of the complex. In the opposite scenario, if the affinity constant is too weak, the complex is barely formed and the amount of CD required in the formulation may become too great. Thus, a balance between the affinity of the CD and the drug is necessary for an optimal formulation. Additionally in the case of modified CDs and specific drug complexes there are further questions concerning the effect that the locations and number of substitutions plays in complexation. In the present work, this question is explored by using sulphobutylether-β-cyclodextrin and remdesivir, the only antiviral medication currently approved by the United States Food and Drug Administration for treating COVID-19, as a case study. This paper presents results from an orthogonal study using isothermal titration calorimetry measurements and biased molecular dynamics simulations that provide complementary information. Isothermal titration calorimetry delves into the global impact of the species distribution while molecular dynamics simulations deals with specific chemical structures. The goal is to provide useful information to optimize pharmaceutical formulations based on modified CDs, specifically in the case of remdesivir, used to treat SARS-CoV-2 infection, although the main conclusions could be extended to the interaction of other drugs with modified cyclodextrinsR.G.-F thanks to the Spanish Agencia Estatal de Investigación (AEI) and the ERDF (RTI2018-098795-A-I00) and for a “Ramón y Cajal” contract (RYC-2016-20335), to Xunta de Galicia (ED431F 2020/05) and Centro singular de investigación de Galicia accreditation 2019-2022, ED431G 2019/03) and the European Union (European Regional Development Fund - ERDF). Á. P. thanks to the Ministerio de Ciencia e Innovación (PID2019-111327GB-I00). We thank the “Centro de Supercómputo de Galicia” (CESGA) for computing time as well as for their exceptional technical supportS

Aggregation versus inclusion complexes to solubilize drugs with cyclodextrins. A case study using sulphobutylether-β-cyclodextrins and remdesivir

The formation of small hybrid aggregates between excipient and drug molecules is one of the mechanisms that contributes to the solubilization of active principles in pharmaceutical formulations. The characterization of the formation, governing interactions and structure of such entities is not trivial since they are highly flexible and dynamic, quickly exchanging molecules from one to another. In the case of cyclodextrins, this mechanism and the formation of inclusion complexes synergistically cooperate to favour the bioavailability of drugs. In a previous study we reported a detailed characterization of the possible formation of inclusion complexes with 1:1 stoichiometry between remdesivir, the only antiviral medication currently approved by the United States Food and Drug Administration for treating COVID-19, and sulphobutylether-β-cyclodextrins. Here we extend our study to assess the role of the spontaneous aggregation in the solubilization of the same drug, by molecular dynamics simulations at different relative concentrations of both compounds. The number of sulphobutylether substitutions in the cyclodextrin structure and two different protonation states of the remdesivir molecule are considered. We aim to shed light in the solubilization mechanism of sulphobutylether-β-cyclodextrins, broadly used as an excipient in many pharmaceutical formulations, in particular in the case of remdesivir as an active compoundR.G.-F thanks to the Spanish Agencia Estatal de Investigación (AEI) and the ERDF (RTI2018-098795-A-I00) and for a “Ramón y Cajal” contract (RYC-2016-20335), to Xunta de Galicia (ED431F 2020/05) and Centro singular de investigación de Galicia accreditation 2019-2022, ED431G 2019/03) and the European Union (European Regional Development Fund - ERDF). Á. P. thanks to the Ministerio de Ciencia e Innovación (PID2019-111327 GB-I00)S

On vortex and dark solitons in the cubic–quintic nonlinear Schrödinger equation

Financiado para publicación en acceso aberto: Universidade de Vigo/CISUGWe study topologically charged propagation-invariant eigenstates of the 1+2-dimensional Schrödinger equation with a cubic (focusing)–quintic (defocusing) nonlinear term. First, we revisit the self-trapped vortex soliton solutions. Using a variational ansatz that allows us to describe the solutions as a liquid with a surface tension, we derive a simple formula relating the inner and outer radii of the bright vortex ring. Then, using numerical and variational techniques, we analyse dark soliton solutions for which the wave function density asymptotes to a non-vanishing value. We find an eigenvalue cutoff for the propagation constant that depends on the topological charge l. The variational profile provides simple and very accurate results for l ≥ 2. We also study the azimuthal stability of the eigenstates by a linear analysis finding that they are stable for all values of the propagation constant, at least for small l.Ministerio de Ciencia e Innovación | Ref. PID2020-118613GB-I00Xunta de Galicia | Ref. ED431B 2021/2

Molecular insights into the effects of focused ultrasound mechanotherapy on lipid bilayers:Unlocking the keys to design effective treatments

Administration of focused ultrasounds (US) represents an attractive complement to classical therapies for a wide range of maladies, from cancer to neurological pathologies, as they are non-invasive, easily targeted, their dosage is easy to control, and they involve low risks. Different mechanisms have been proposed for their activity but the direct effect of their interaction with cell membranes is not well understood at the molecular level. This is in part due to the difficulty of designing experiments able to probe the required spatio-temporal resolutions. Here we use Molecular Dynamics (MD) simulations at two resolution levels and machine learning (ML) classification tools to shed light on the effects that focused US mechanotherapy methods have over a range of lipid bilayers. Our results indicate that the dynamic-structural response of the membrane models to the mechanical perturbations caused by the sound waves strongly depends on the lipid composition. The analyses performed on the MD trajectories contribute to a better understanding of the behavior of lipid membranes, and to open up a path for the rational design of new therapies for the long list of diseases characterized by specific lipid profiles of pathological membrane cells.</p

Rings, Hexagons, Petals, and Dipolar Moment Sink-Sources: The Fanciful Behavior of Water around Cyclodextrin Complexes

The basket-like geometry of cyclodextrins (CDs), with a cavity able to host hydrophobic groups, makes these molecules well suited for a large number of fundamental and industrial applications. Most of the established CD-based applications rely on trial and error studies, often ignoring key information at the atomic level that could be employed to design new products and to optimize their use. Computational simulations are well suited to fill this gap, especially in the case of CD systems due to their low number of degrees of freedom compared with typical macromolecular systems. Thus, the design and validation of solid and efficient methods to simulate and analyze CD-based systems is key to contribute to this field. The behavior of supramolecular complexes critically depends on the media where they are embedded, so the detailed characterization of the solvent is required to fully understand these systems. In the present work, we use the inclusion complex formed by two α-CDs and one sodium dodecyl sulfate molecule to test eight different parameterizations of the GROMOS and AMBER force fields, including several methods aimed to increase the conformational sampling in computational molecular dynamics simulation trajectories. The system proved to be extremely sensitive to the employed force field, as well as to the presence of a water/air interface. In agreement with previous experiments and in contrast to the results obtained with AMBER, the analysis of the simulations using GROMOS showed a quick adsorption of the complex to the interface as well as an extremely exotic behavior of the water molecules surrounding the structure both in the bulk aqueous solution and at the water surface. The chirality of the CD molecule seems to play an important role in this behavior. All together, these results are expected to be useful to better understand the behavior of CD-based supramolecular complexes such as adsorption or aggregation driving forces, as well as to introduce new methods able to speed up general MD simulationsThis work was supported by the Spanish Agencia Estatal de Investigación (AEI) and the ERDF (RTI2018-098795-A-I00), and by the Xunta de Galicia and the ERDF (ED431C 2017/25 and Centro singular de investigación de Galicia accreditation 2016-2019, ED431G/09). P.F.G. is funded by a predoctoral research grant (BES-2016-076761) from the Spanish Ministry of Economy and Competitiveness and the European Social Fund. M.C. is funded by a predoctoral fellowship from Xunta de Galicia. R.G.-F. is a “Ramón y Cajal” fellowship (RYC-2016-20335) from the Ministerio de Ciencia, Innovación y UniversidadesS

Comparison of central corneal thickness measured by standard ultrasound pachymetry, corneal topography, tono-pachymetry and anterior segment optical coherence tomography

Purpose: To compare central corneal thickness (CCT) measured by standard ultrasound pachymetry (USP), and three non-contact devices in healthy eyes. Methods: A cross-sectional study of CCT measurement in 52 eyes of 52 healthy volunteers was done by a single examiner at Ocular Surface and Contact Lens Laboratory. Three consecutive measurements were done by standard USP, non-contact tono-pachymeter, Pentacam corneal topographer, and Anterior Segment Optical Coherence Tomography (AS-OCT). The mean values were used for assessment. The results were compared using multivariate ANOVA, linear regression, and Pearson correlation. Agreement among the devices was analyzed using mean differences and Bland–Altman analysis with 95% limits of agreement (LoA). Finally, reliability was analyzed using intraclass correlation coefficient (ICC). Results: Mean CCT by ultrasound pachymeter, tono-pachymeter, corneal topographer and AS-OCT were 558.9 ± 31.2 µm, 525.8 ± 43.1 µm, 550.4 ± 30.5 µm, and 545.9 ± 30.5 µm respectively. There was a significant positive correlation between AS-OCT and USP (Pearson correlation = 0.957, p < 0.001), corneal topography and USP (Pearson correlation = 0.965, p < 0.001), and corneal topography and AS-OCT (Pearson correlation = 0.965, p < 0.001). There was a lower correlation between CT-1P tono-pachymeter and the other three modalities. Intraclass correlation coefficients show an excellent reliability between pairs except for CT-1P against the other three instruments that were found moderate. Conclusions: CT-1P tono-pachymeter underestimates CCT measurements compared to Scheimpflug system, AS-OCT device, and USP. Mean CCT among USP, Pentacam and AS-OCT were comparable and had significant linear correlations. In clinical practice, these three modalities could be interchangeable in healthy patientsinfo:eu-repo/semantics/publishedVersio