El conocimiento de los electrones determina la interacción molecular

Página web divulgativa.Peer Reviewe

In honour of the 70th birthday of Professor Luis A. Oro

EssayWhen Professor Luis Oro turns over the middle of June, he will be 70 years old, and he will be completing a cycle of almost half a century (48 years) dedicated to chemical research in the field of organometallics and homogeneous catalysis, and in general to the development of chemistry. In this aim, he has assumed different and complementary responsibilities, from leading innovative research projects, to the formation of professional scientists for academia or the chemical industry, from the direction of the Spanish Royal Society of Chemistry, to that of diverse editorial management consortia or even having taken the responsibility of guiding the overall Spanish scientific policy. It has been a long trek done with tons of enthusiasm, excellent companions and plenty of generosity. It is our pleasure and privilege to walk around the main steps of Professor Oro’s life; a life dedicated to investigate and to work to situate chemical research, and science in general, in the proper place it should be in our modern society.Peer Reviewe

Diseño de redes de cámaras inteligentes utilizando smartphones

Este Trabajo Fin de Grado (TFG) presenta una herramienta software para controlar de forma remota una red de cámaras inteligentes utilizando smartphones Android. Dicha red compone un sistema de videovigilancia casero que consta de tres partes diferenciadas: teléfonos móviles (cámaras) y aplicaciones cliente y servidor. Este sistema será implementado aprovechando las posibilidades que nos ofrece Android a la hora de controlar las diferentes configuraciones de captura y envío de imágenes. También será utilizada la herramienta de procesamiento de imágenes OpenCV a la hora de visualizar dichas imágenes en el cliente y aplicar un algoritmo de detección de personas sobre las mismas cuando sea necesario. La compleja gestión de la red de cámaras y usuarios, que deben ser tratados de forma diferente, será llevada a cabo por un servidor, que será el centro del sistema, encargado del protocolo de comunicaciones entre usuarios y cámaras. Una vez terminado el desarrollo, se realizaron pruebas experimentales de rendimiento con diferentes configuraciones de captura y número de cámaras simultaneas para sacar valiosas conclusiones acerca de las limitaciones de la arquitectura propuesta para este sistema de videovigilancia.This final degree project presents a software tool to remotelly control a smart multicamera network using Android smartphones. This network is composed by a homemade videosurveillance system which consists of three different modules: smartphones (cameras), server and client applications. This system will be implemented by taking advantage of Android possibilities when controlling different camera capturing configuration and sending images. The processing images tool OpenCV will also be used to visualize these pictures in the client aplication and apply a people detection algorithm when it’s requested. The complex managing of the camera and user network must be treated differently, it will be done by a server, which will be the system center in charge of the comunication protocol between users and cameras. Once the development is finished, experimental performance tests will be done with different camera capture configurations and variating the number of simultaneous cameras to come to the conclusion of the proposed architecture’s limitations for this videosurveillance system

Evaluación del proceso de toma de decisiones en el contexto del arbitraje deportivo : propiedades psicométricas de la adaptación espanola del cuestionario DMQ II en árbitros de balonmano

En este trabajo presentamos un estudio preliminar para adaptar el cuestionario Decision Making Questionaire II (DMQ-II) a la población española de árbitros deportivos, con el propósito de contar con un instrumento auxiliar que facilite el estudio de las diferencias individuales en la toma de decisiones. La muestra estaba compuesta por 131 árbitros de balonmano pertenecientes a las categorías de división de honor, primera división y categoría territorial. La estructura factorial de los datos, así como la consistencia interna del instrumento, confirman la existencia de distintos patrones de conducta ante situaciones de decisión en el contexto del arbitraje en el deporte del balonmano relacionados con: estrés en la toma de decisiones; decisión rápida con incertidumbre; y determinación y compromiso en la toma de decisiones.The present pilot study was carried out with a sample of 131 handball umpires of Spain, with the aim of adapting the Decision Making Questionnaire II (DMQ-II questionaire) and developing an instrument that may help to study individual differences in decision making. Three factors were extracted:stress management and decision making; quick decision making with uncertainty; and determination and commitment to decision making. The factorial structure of the data, as well as the values of internal consistency of the scales, confirm the existence of different patterns of behaviour

Asymmetric 1, 3-dipolar cycloaddition reactions between methacrylonitrile and nitrones catalysed by well-defined M(diphosphane) (M=Rh, Ir) complexes

The cationic half-sandwich aqua-complexes (¿ 5-C5Me5)M(PP*)(H2O)]SbF6]2 M=Rh, Ir; PP* =(R)-Benphos, (R)-Cyphos, (2R, 4R)-Norphos] catalyse the 1, 3-dipolar cycloaddition reaction of nitrones with methacrylonitrile with perfect regioselectivity, low-to-perfect endo-selectivity and low-to-moderate enantioselectivity. The active species involved in the catalytic process, (¿ 5-C5Me5)M(PP*)(methacrylonitrile)]SbF6]2, have been isolated and characterised as mixtures of the (S)- and (R)-at-metal epimers. NMR measurements of these mixtures indicated that the (R M)-isomers epimerise to the corresponding (S M) counterparts. The molecular structure of the rhodium complex (S Rh, R C)-(¿ 5-C5Me5)Rh((R)-Benphos)(methacrylonitrile)]SbF6]2 has been determined by X-ray diffraction methods. Diastereomerically pure (S Rh, R C)-(¿ 5-C5Me5)Rh(PP*)(methacrylonitrile)]SbF6]2 compounds catalyse stoichiometrically the above mentioned dipolar cycloaddition reaction with up to 90% enantiomeric excess, thus indicating the influence of the metal handedness on the catalytic stereochemical outcome. Catalysts can be recycled up to three times without a significant loss of either activity or selectivity

Synthesis and catalytic activity of well-defined Co(i) complexes based on NHC–phosphane pincer ligands

A new methodology for the preparation of Co(I)–NHC (NHC = N-heterocyclic carbene) complexes, namely, [Co(PCNHCP)(CO)2][Co(CO)4] (1) and [Co(PCNHCP)(CO)2]BF4 (2), has been developed (PCNHCP = 1,3-bis(2-(diphenylphosphanyl)ethyl)-imidazol-2-ylidene). Both complexes can be straightforwardly prepared by direct reaction of their parent imidazolium salts with the Co(0) complex Co2(CO)8. Complex 1 efficiently catalyses the reductive amination of furfural and levulinic acid employing silanes as reducing agents under mild conditions. Furfural has been converted into a variety of secondary and tertiary amines employing dimethyl carbonate as the solvent, while levulinic acid has been converted into pyrrolidines under solventless conditions. Dehydrocoupling of the silane to give polysilanes has been observed to occur as a side reaction of the hydrosilylation process

New insights into the blue intrinsic fluorescence of oxidized PAMAM dendrimers considering their use as bionanomaterials

Like other bionanomaterials, dendrimers are usually labelled with fluorescent compounds in order to be optically detected within cells. However, this process can interfere with their biological properties, so it is crucial to find other solutions for their traceability. Here, the blue intrinsic fluorescence of amine terminated poly(amidoamine) (PAMAM) dendrimers was enhanced using oxidative treatment with ammonium persulfate (APS). The effects of dendrimer generation (G3, G4, and G5) and pH on the spectroscopic behavior of both pristine and APS-treated PAMAM dendrimers were studied in aqueous solution. Overall, the results pointed out that there are at least two types of emitting electron-rich hetero-atomic sub-luminophores (HASLs) confined within the dendrimer scaffold that have very close maximum emission wavelengths and whose emission properties strongly depend on pH. The APS treatment significantly enhanced the fluorescence intensity by leading to the protonation of the interior of the dendrimer. However, fluorescence intensity was not only dependent on the number of HASLs in the dendrimer scaffold (i.e., on dendrimer generation), but also on the rigidification suffered by the dendrimer due to the acidic environment (at low pH values, APS-treated G4 was indeed the most emissive species). Moreover, photoluminescence studies with lyophilized samples were also conducted, which confirmed the coexistence of more than one type of HASLs emitting in the dendrimer structure. The APS treatment affected these HASLs to a different extent. Time-resolved fluorescence experiments always showed higher average lifetimes of HASLs for APS-treated dendrimers than for pristine ones, in accordance with the fluorescence intensity results. On the other hand, the fraction and lifetimes of HASLs in APS-treated dendrimers were similar in solution and the lyophilized form. This behaviour was different for the pristine dendrimers that presented increased luminescence upon aggregation. Finally, the highly emissive oxidized dendrimers were shown not only to be much less cytotoxic and hemotoxic than pristine dendrimers but also to be detectable inside cells upon excitation with UV light.info:eu-repo/semantics/publishedVersio

The C form of n-hexadecanoic acid

3 pages, 2 tables, 2 figures.In the crystal structure of the title compound, C16H32O2, the molecules are arranged into dimers through O-HO hydrogen bonds. These dimers are packed in bilayers with terminal methyl groups at both external faces, and these layers are parallel to the crystallographic (100) plane. All C-C bonds of the alkyl chain show an antiperiplanar (trans) conformation, with slight deviations from the ideal value in the C-C bonds close to the intermolecular hydrogen bonds. The similarity between the carboxyl C-O bond distances is consistent with the existence of cis-trans tautomerism.This research was supported through CICYT grant No. MAT2001±3352 and DGICYT grant No. BQU2002±1729.Peer reviewe

Cyclopentadienyl iron dicarbonyl styrene chalcogenosulfonates: synthesis and structure of CpFe(CO)(2)SeSO2CH=CHPh

In this contribution, we report the preparation of iron thiosulfonato complex CpFe(CO)(2)SSO2CH=CHPh (1) and its selenosulfonato analogue CpFe(CO)(2)SeSO2CH=CHPh (2) featuring styrene moiety. 1 and 2 are obtained by electrophilic attack of (mu-E-x)CpFe(CO)(2)](2) (E = S; x = 2-4, E = Se; x = 1) on the sulfur atom of styrene sulfonyl chloride ClSO2CH=CHPh. The new compounds, 1 and 2 have been characterized by elemental analyses, IR, H-1-, C-13{H-1}-NMR, UV-Vis spectroscopy and the structure of 2 is determined by X-ray crystallography

La evolución del comercio catalán en los últimos años

El objetivo de este trabajo es analizar la situación y evolución del comercio catalán en los últimos años y predecir como una hipotética independencia podría afectarle. Para ello, se lleva a cabo un estudio de las exportaciones catalanas y se comparan estas con las españolas, se elabora un estudio de las negociaciones catalanas con el resto de regiones de España y con el resto del mundo y, por último, se realiza un estudio del comercio por ramas de actividad. También se explica el desarrollo del proceso soberanista en Cataluña y se recopilan distintas opiniones acerca de las consecuencias de que este saliese adelante. De todos los datos analizados en este trabajo se sustraen principalmente dos conclusiones. La primera es que el comercio catalán está siguiendo una tendencia a depender menos de España y a concentrarse más en el resto del mundo. La segunda es que, si bien España es cada vez menos importante dentro de la balanza comercial catalana, sigue siendo el principal socio comercial con diferencia y por tanto una hipotética independencia pone en peligro una buena parte del comercio.<br /