Enantioselectivity in CPA-catalyzed Friedel–Crafts reaction of indole and N-tosylimines: a challenge for guiding models

[EN]Qualitative reaction models or predicting guides are a very useful outcome of theoretical investigations of organocatalytic reaction mechanism that allow forecasting of the degree and sense of the enantioselectivity of reactions involving novel substrates. However, application of these models can be unexpectedly challenging in reactions affected by a large number of conformations and potential control of the enantioselectivity by different reaction steps. The QM/MM study of the Friedel–Crafts reaction between indole and the N-tosylimide of benzaldehyde catalysed by different CPA reveals that the reaction consists of two CPA-assisted steps: the addition of the two reagents to yield a Wheland intermediate, and its re-aromatization. The relevance of the second step depends on the catalyst: it changes the sense of the expected stereoselectivity for a BINOP-derived CPA but is irrelevant in the reaction catalysed by a VAPOL-derived imidodiphosphoric acid catalyst. Although the relative energies of the TSs can be rationalized considering the steric interactions with the catalyst, the possibility of additional H-bonds, or the relative stability of the conformation of the reagents, predicting the enantioselectivity is not possible using qualitative guides

On the Credibility of a Target Zone: Evidence from the EMS

We provide some new evidence on the credibility of the Exchange Rate Mechanism of the European Monetary System. To that end, we use of several credibility indicators, analysing the complete EMS history. We also compare the prediction qualities of the different indicators, and apply them to the experience of the new ERM linking the currencies of non-euro area Member States to the euro.Exchange rates, European Monetary System.

An estimate of the equilibrium interest rate in the United States and Germany

Artículo de revist

EFFECTS OF LOUVERS SHADING DEVICES ON VISUAL COMFORT AND ENERGY DEMAND OF AN OFFICE BUILDING. A CASE OF STUDY

This paper evaluates the building energy demand and visual comfort of a real case with a glazed façade office building placed in Málaga (Mediterranean city in the south of Spain). South oriented facades receive such a high solar gain that cooling demand cannot be handled by the current HVAC system. As an environmental friendly solution, a shading control strategy based on vertical and horizontal louvers is proposed. The study consists of a comparison between the actual and the refurbished building with shading devices. Daylighting simulation is done with Daysim (Daysim, 2016). A group of offices with south, east and north oriented facades is chosen for the study. Horizontal louvers in the south façade and vertical louvers in the east facade are modelled and simulated. The simulation changes the angle of the louver: 0º (perpendicular to the glazing), -30º, 30º, -60º, 60º. Visual comfort parameters analyzed are: illuminance, daylight autonomy (DA) and useful daylight index (UDI). With respect to the thermal comfort, not only louvers orientation try to provide solar protection for glazed areas in cooling period but also maximize solar gains in heating period. However, an excessive daylight could affect discomfort glare. Shading control strategy must provide the equilibrium between both aspects. Thermal demand is calculated with Trnsys (TRNSYS, 2016).Universidad de Málaga. Campus de Excelencia Internacional Andalucía Tech

Production of Transglutaminase by Streptoverticillium ladakanum NRRL-3191 Using Glycerol as Carbon Source

The enzyme transglutaminase (TG) catalyses the formation of covalent bonds between adjacent proteins, thereby improving the gel structure of proteins and has important applications for the food industry. The aims of this work were: (i) to elucidate the effect of agitation speed during the biotechnological production of TG by Streptoverticillium ladakanum NRRL-3191 using glycerol as carbon source; and (ii) to improve TG production by optimising the composition of media based on glycerol, xylose and casein. An agitation speed of 250 rpm and a fermentation time of 72 h resulted in the optimal enzymatic activity (0.628 U/mL) with a productivity of 0.087 U/(mL·h). The composition of media with glycerol, xylose and casein were optimised using an experimental design to improve TG production. The model predicts that the maximum TG activity (0.725 U/mL) can be obtained using glycerol 50.5 g/L and casein 20 g/L without the addition of xylose

Arqueología de la Batalla de Belchite. Campaña de 2014

Informe técnico de las excavaciones y prospecciones arqueológicas en los restos de la Guerra Civil de Belchite y Mediana llevadas a cabo en septiembre de 2014.N

A forest simulation approach using weighted Voronoi diagrams. An application to Mediterranean fir Abies pinsapo Boiss stands

Aim of study: a) To present a new version of the forest simulator Vorest, an individual-based spatially explicit model that uses weighted Voronoi diagrams to simulate the natural dynamics of forest stands with closed canopies. b) To apply the model to the current dynamics of a Grazalema pinsapo stand to identify the nature of its competition regime and the stagnation risks it is currently facing.Area of study: Sierra del Pinar de Grazalema (S Spain)Material and methods: Two large plots representative of Grazalema pinsapo stands were used to fit and validate the model (plus 6 accesory plots to increase the availability of mortality data). Two inventories were carried out in 1998 and 2007 producing tree size and location data. We developed a forest simulator based on three submodels: growth, competition and mortality. The model was fitted, evaluated and validated for Grazalema plots. The simulation outputs were used to infer the expected evolution of structural diversity of  forest stands.Main results: Vorest has proved to be a good tool for simulating dynamics of natural closed stands. The application to Grazalema pinsapo stands has allowed assessing the nature of the main processes that are driving its development pathway. We have found that the prevailing size-asymmetric competition dominates the self-thinning process in small-sized trees. At the same time, there is an active tree-size differentiation process.Research highlights:Vorest has proved to be a good tool for simulating natural stands with closed canopies.The Grazalema pinsapo stand under consideration is currently undergoing a natural process of differentiation, avoiding long-term stagnation.Keywords: Vorest; stand dynamics; individual-based forest model; spatially explicit forest model; pinsapo

Interpretación de lo femenino mediante procesos creativos de formas cerámicas en atmósferas reductoras

[ES] El presente trabajo de investigación está dividido en una parte teórica-conceptual y una parte práctico-creativa. En la parte teórica del trabajo se hace una reflexión en cuanto a la desnudez femenina, el desnudo en el tiempo y cómo se complementa con el material cerámico de manera abstracta. Una vez definidos los conceptos a abordar en el trabajo, se iniciará la parte práctica, donde se han querido explorar las diferentes posibilidades que puede ofrecer la técnica del Rakú, tanto en formas como acabados, aportando gran valor estético, formal y conceptual. Las obras creadas parten de premisas como lo femenino, la desnudez y más concretamente el pecho. Todas ellas se han realizado mediante torno de alfarero utilizando diferentes pastas cerámicas como soporte, cada una de ellas con colores y texturas propias, dando como resultado diversos acabados condicionados por las técnicas empleadas.[EN] This research is divided into a theoretical-conceptual part and a practical-creative part. In the theoretical part of work it is done reflection on concepts such as to female nudity, naked in time and how is complemented by the ceramic material is abstractly. Once defined the concepts addressed in the work, the practical part will be held, where they have wanted to explore the different possibilities that can offer the technique of Raku, either in forms as on finishes, providing great value aesthetic, formal and conceptual. The works created are based on assumptions as female, nudity and more specifically the chest. All of them have been made by potter's wheel using different ceramic pastes for support, each with their own colors and textures, resulting in various finishes conditioned by the techniques used.Simón Cortés, JM. (2015). Interpretación de lo femenino mediante procesos creativos de formas cerámicas en atmósferas reductoras. http://hdl.handle.net/10251/63547.Archivo delegad

Caracterización físico-química de las alteraciones de los paneles devocionales y vía crucis del siglo XVIII en la Comunidad Valenciana

De finales del XVII a medidados del XIX la Comunidad Valenciana se enriquecía con retablos cerámicos y paneles devocionales colocadas en fachadas de las casas y en lugares estratégicos de las calles. No se conocía iglesia, barrio o gremmio que no tuviese una imagen del patrón en una hornacina donde los files del pueblo se reunisen en fiestas, dedicando rezo o admiración. La fluctuación considerable de los cambios meteorológicos, y las modificaciones urbanísticas, hacian necesario una revisión de la cerámica tradicional religiosa, en concreto los paneles devocionales y Via Crucis. La finalidad de la presente tesis consiste en estudiar la creación y evolución de dichos paneles devocionales, para ello ha sido necesario conocer en profundidad su composición, las técnicas de manofactura y la elaboración de este tipo de cerámicas en el siglo XVIII, así como la realización de una catálogo fotografico con diferentes obras de diversos lugares en la Comunidad Valenciana. Tras los diferentes ensayos de envejecimiento (hielo-deshielo, radiación lumínica, T/HR, corrosión, erosión) a los que fueron sometidas las diveras probetas, tanto cerámicas como aquellos materiales empleados en la reconstrucción volumétrica de los soportes, se evalúan sus efectos mediante Microscopia Optica, análisis colorimétrisoc, FTIR, SEM/EDX y DRX, estableciéndose finalmente las conclusiones.Simón Cortés, JM. (2012). Caracterización físico-química de las alteraciones de los paneles devocionales y vía crucis del siglo XVIII en la Comunidad Valenciana [Tesis doctoral]. Editorial Universitat Politècnica de València. https://doi.org/10.4995/Thesis/10251/17738Palanci