Desarrollo del código de simulación SIMAT(SIMulaciones ATomísticas) en GPSU para estudiar sistemas biológicos a gran escala

BECALa Biofísica Computacional se ha convertido en una de las ramas más dinámicas de la biología contemporánea, ocupándose principalmente del estudio de los procesos celulares a nivel molecular. La unidad fundamental de investigación son las macromoléculas, las proteínas sobre todo. Sin embargo, el estudio del movimiento de una proteína muestra una notable dificultad. Una de las alternativas más prometedoras para estudiar los sistemas biológicos son sin duda los métodos de simulación molecular tales como el de Dinámica Molecular (DM). La DM se ha convertido en una de las herramientas numéricas más poderosas para estudiar propiedades termodinámicas de macromoléculas como son las proteínas y otras biomoléculas. Por lo anterior, en este trabajo nos enfocamos en realizar la implementación de los algoritmos en los ensambles NVE y NVT de dinámica molecular basada en los operadores de Liouville [22-23]. En el ensamble NVT se usan las denominadas cadenas de termostatos Nose-Hoover [21]. Estos algoritmos se implementaron haciendo uso de la tecnología basada en Unidades de Procesamiento Gráficos (GPU) con lo cual nos permitió reducir el tiempo de ejecución de estos algoritmos para el desarrollo de las simulaciones. Se publicó el artículo titulado “In silico Analysis of the Structural Properties of PSMA and its Energetic Relationship with Zn as Cofactor” en la revista Journal of Nuclear Physics, Material Sciences, Radiation and Applications Journal con DOI: 10.15415/jnp.2018.61020 con una simulación de dinámica molecular del PSMA con el propósito de caracterizarlo de forma energética y estructural en donde se dilucidaron las diferencias de PSMA con sus dos iones Zn2 como cofactores y sin ellos en el perfil de energía libre, y en cuatro parámetros estructurales: desviaciones cuadráticas medias de la raíz y fluctuaciones cuadradas medias de la raíz por átomo y residuo de aminoácido, radio de giro y SASA. Del mismo modo, un segundo artículo pre aceptado titulado “High-throughput of measure-preserving integrators for constant temperature molecular dynamics simulations on GPUs” con doi:10.20944/preprints201811.0250.v1 en la revista High-Throughput, en el cual se presenta el desempeño de los algoritmos NVE y NVT con las cadenas de Nose-Hoover implementadas en GPUs para desarrollar simulaciones de dinámica molecular.CONACY

EVALUACIÓN DE LA INDEPENDENCIA DEL BANCO DE MÉXICO

En el documento se evalúa el grado de independencia del Banco Central de México. Para ello, se siguió el modelo propuesto por Miller en el que se contrasta la estructura óptima de deuda pública del gobierno central, en caso de que el banco central fuera independiente, contra la estructura que se debería tener si la política monetaria estuviera a cargo del mismo gobierno. De acuerdo con la evidencia empírica, la brecha entre la deuda interna óptima y la observada se redujo en el periodo posterior a la fecha en que se doto legalmente de independencia al BANXICO, por lo que se concluye que el Banco es más independiente que antes de dicha disposición.Classification-JEL:Independencia, Banco de México, deuda interna óptima

Results of the Magnetorquer Wrapping

This summer I had worked with a team of engineers on a life-changing research project that is important to the well-being of living. This project has also afforded me the opportunity to develop a lesson plan around the research that I conducted about satellites, not only will this lesson plan contain research done by myself but by other researchers as well. The first step of my research consisted of me learning about satellites and all their capabilities. Once I had gained new knowledge about satellites I was then tasked to learn about a specific satellite known as Technological and Educational Nanosatellite 7 (TechEdSat7), which was the satellite that the my team was tasked to working on in (JPL) Jet Propulsion Lab. The second step of my research then consisted of me doing “the history of mathematics” to find out what ideas had led to satellites being develop in today’s society. When doing the mathematics research I expanded my knowledge about mathematic techniques, methods, and formulas across many regions in the world like Europe 400-1200AD and Middle East 700-1200AD; furthermore, I learned about famous scientists/philosophers and their ideas like Sir Isaac Newton, Gottfried Wilhelm von Leibniz to help stretch my research. This preliminary research was important so that I can make a connection between mathematics and satellites so that I can translate such high level knowledge to elementary students. The next phase of my project was to then find out how the “Eratosthenes Measurement (276-195 B.C)” was so instrumental in astronomy for satellites to be so effective. The last stage of my project was helping develop a nanosatellite and creating a lab procedure for future and fellow engineers when making a nanosatellite

Local governance under austerity : hybrid organisations and hybrid officers

Using the case of Cardiff, Wales, we argue that the hybridisation of local governance forms is exacerbated by the downscaling and offloading of austerity politics. Conceptualising hybridity as a process which operates across governmental scales, at the organisational and at the individual level helps understand the growing complexities of local governance under austerity and the tensions which arise in seeking to assemble locally appropriate ideas and practices. Conceptualising hybridity as practice, we consider how 'hybrid officers' at the frontline experience austerity, their situated agency, and the implications for higher levels of governance

Bioethics in the Use of Experimental Animals

This chapter deals with the history of the humanitarian use of animals in laboratory experiments from ancient times to the present day. It emphasizes the various criteria that have been established to try to improve the quality of life of an animal and its sacrifice with euthanasic techniques, since the emergence of Russell’s statement of the three Rs (replacement, reduction, and refinancing). In addition, there is a review of the application of bioethical principles in scientific institutions in developing countries, such as Mexico. It also reviews some aspects of the humanitarian treatment of experimental animals at the time of designing an experiment protocol

Defining, achieving, and evaluating collaborative outcomes: a theory of change approach

This paper has been co-authored with colleagues at the Centre for Public Policy, Cardiff University The file attached to this record is the author's final peer reviewed version. The Publisher's final version can be found by following the DOI link.Governments have repeatedly claimed that collaboration improves public service outcomes. However, defining, achieving and evaluating collaborative outcomes is often problematic. Analysis of multi-sectoral projects in Wales, which were supported by the European Social Fund, exemplifies these challenges. Shifts in policy discourses and the interplay between national and local agendas produced complex and contested understandings of outcomes which made difficult to evaluate the projects’ achievements. We argue that the pursuit of collaboration needs to be understood not simply as an attempt to improve public service effectiveness but also ‘cultural efficacy’. The conclusions offer reflections relevant for theory and practice

Panel 42 Conference Proceedings: Urban securitisation and the need for humanising alternatives

This panel was co-organised alongside Drs. Anna Barker (Leeds) and Melanie Lombard (Sheffield).This documents presents the proceedings of the panel entitled ' Urban securitisation and the need for humanising alternatives', organised at the RC21 Conference in Leeds 2017. The panel aimed to explore humanising alternatives or approaches to urban securitisation, in support of the articulation of urban security approaches which allow citizens to exercise their rights and participate in the construction of more liveable cities

The TechEdSat/PhoneSat Missions for Small Payload Quick Return

In 2014, Ames Research Center launched the Technical Educational Satellite 4 (TechEdSat 4) from an external launcher aboard the International Space Station. This experimental CubeSat deployed an exobrake, an exo-atmospheric drag chute that can be used for controlled de-orbit of a small payload canister from earth orbit. This capability is useful for returning biological samples from ISS and even planetary samples from beyond the earth. Such capability can support better biological and medical science experiments and is a long-term goal of NASA and industry. The results of the TechEdSat 4 (TES4) mission will be presented along with the design of the follow-on spacecraft, TechEdSat5/PhoneSat5 (TES5/PS5), which will launch from ISS this summer. The TES4 exobrake deployed, changed the drag on the CubeSat, resulting in early orbital reentry. The time frame for de-orbit and the quantitative drag assessment from this experiment is very useful for designing future Small Payload Quick Return (SPQR) methods and spacecraft. The TES5/PS5 features improved GPS tracking and a modulated exo-brake allowing more precise control of the exo-atmospheric drag and therefore the re-entry time and location. The TES5/PS5 is a significant upgrade from TES4, featuring an improved C&DH built around the Intel Edison mobile computing platform, the core of new PhoneSat. This CubeSat has an ISM-band WiFi downlink for data, significantly reducing the cost of such communication services. It features multiple cameras to help verify exo-brake deployment and modulation. The GPS tracking should give precise orbital trajectories leading to much better drag assessment, re-entry targetting and other benefits

Robotix Fair 2018

No abstract availabl