Vibrational population relaxation of carbon monoxide in the heme pocket of photolyzed carbonmonoxy myoglobin: Comparison of time-resolved mid-IR absorbance experiments and molecular dynamics simulations

The vibrational energy relaxation of carbon monoxide in the heme pocket of sperm whale myoglobin was studied by using molecular dynamics simulation and normal mode analysis methods. Molecular dynamics trajectories of solvated myoglobin were run at 300 K for both the δ- and ɛ-tautomers of the distal His-64. Vibrational population relaxation times of 335 ± 115 ps for the δ-tautomer and 640 ± 185 ps for the ɛ-tautomer were estimated by using the Landau–Teller model. Normal mode analysis was used to identify those protein residues that act as the primary “doorway” modes in the vibrational relaxation of the oscillator. Although the CO relaxation rates in both the ɛ- and δ-tautomers are similar in magnitude, the simulations predict that the vibrational relaxation of the CO is faster in the δ-tautomer with the distal His playing an important role in the energy relaxation mechanism. Time-resolved mid-IR absorbance measurements were performed on photolyzed carbonmonoxy hemoglobin (Hb13CO). From these measurements, a T1 time of 600 ± 150 ps was determined. The simulation and experimental estimates are compared and discussed.

Bioenergetic scaling: metabolic design and body-size constraints in mammals.

The cytosolic phosphorylation ratio ([ATP]/[ADP][P(i)]) in the mammalian heart was found to be inversely related to body mass with an exponent of -0.30 (r = 0.999). This exponent is similar to -0.25 calculated for the mass-specific O2 consumption. The inverse of cytosolic free [ADP], the Gibbs energy of ATP hydrolysis (delta G'ATP), and the efficiency of ATP production (energy captured in forming 3 mol of ATP per cycle along the mitochondrial respiratory chain from NADH to 1/2 O2) were all found to scale with body mass with a negative exponent. On the basis of scaling of the phosphorylation ratio and free cytosolic [ADP], we propose that the myocardium and other tissues of small mammals represent a metabolic system with a higher driving potential (a higher delta G'ATP from the higher [ATP]/[ADP][P(i)]) and a higher kinetic gain [(delta V/Vmax)/delta [ADP]] where small changes in free [ADP] produce large changes in steady-state rates of O2 consumption. From the inverse relationship between mitochondrial efficiency and body size we calculate that tissues of small mammals are more efficient than those of large mammals in converting energy from the oxidation of foodstuffs to the bond energy of ATP. A higher efficiency also indicates that mitochondrial electron transport is not the major site for higher heat production in small mammals. We further propose that the lower limit of about 2 g for adult endotherm body size (bumblebee-bat, Estrucan shrew, and hummingbird) may be set by the thermodynamics of the electron transport chain. The upper limit for body size (100,000-kg adult blue whale) may relate to a minimum delta G'ATP of approximately 55 kJ/mol for a cytoplasmic phosphorylation ratio of 12,000 M-1.

The structure of Ascaris hemoglobin domain I at 2.2 A resolution: molecular features of oxygen avidity.

The perienteric hemoglobin of the parasitic nematode Ascaris has an exceptionally high affinity for oxygen. It is an octameric protein containing two similar heme-binding domains per subunit, but recombinant constructs expressing a single, monomeric heme-binding domain (domain 1; D1) retain full oxygen avidity. We have solved the crystal structure of D1 at 2.2 A resolution. Analysis of the structure reveals a characteristic globin fold and illuminates molecular features involved in oxygen avidity of Ascaris perienteric hemoglobin. A strong hydrogen bond between tyrosine at position 10 in the B helix (tyrosine-B10) and the distal oxygen of the ligand, combined with a weak hydrogen bond between glutamine-E7 and the proximal oxygen, grips the ligand in the binding pocket. A third hydrogen bond between these two amino acids appears to stabilize the structure. The B helix of D1 is displaced laterally by 2.5 A when compared with sperm whale myoglobin. This shifts the tyrosine-B10 hydroxyl far enough from liganded oxygen to form a strong hydrogen bond without steric hindrance. Changes in the F helix compared with myoglobin contribute to a tilted heme that may also be important for oxygen affinity.

Cetáceos en la Reserva Marina de las Islas Columbretes (Mediterráneo noroccidental): 20 años de avistamientos oportunistas

En el presente trabajo se recopilan veinte años de observaciones realizadas por los servicios de vigilancia de la Reserva Marina y Reserva Natural de las Islas Columbretes, así como aquellas notificadas por embarcaciones de recreo y pesca, desde la creación de la reserva en 1990. Las observaciones fueron realizadas durante todo el año en el interior de la Reserva Marina e inmediaciones. Por avistamiento se ha anotado la especie, el tamaño de grupo, hora y situación aproximada. Para cada especie se ha analizado la presencia a lo largo de los meses del año, la distancia a las islas y el tamaño de los grupos. Se han obtenido datos de un total de 366 observaciones y 4928 individuos. La especie más frecuente ha sido el delfín mular Tursiops truncatus con el 71 % de las observaciones totales, seguida por el rorcual común Balaenoptera physalus (20 %), delfín listado Stenella coeruleoalba (5 %), delfín común Delphinus delphis (1.4 %), y con porcentajes inferiores al 1%: calderón común Globicephala melas, calderón gris Grampus griseus, cachalote Physeter catodon y orca Orcinus orca. La presencia constante de delfín mular en la Reserva Marina durante estos 20 años es una evidencia de que la protección de estas aguas ha contribuido a la conservación de esta especie en la zona. Por otra parte, las observaciones de rorcual común al este de la Reserva Marina indican la existencia de una zona de paso de los individuos en su migración latitudinal.

Valores morales, empatía e identificación con los personajes de ficción: el universo representativo de “Cuéntame cómo pasó” (TVE)

En la presente investigación se muestran los resultados de un estudio de base experimental sobre el análisis de los valores morales presentes en la serie emitida por Televisión Española “Cuéntame cómo pasó”. La discusión se centra en los valores morales como el aspecto nuclear de este constructo audiovisual, en especial en su posible correlación con la identificación de los personajes y la empatía ficcional del formato. En el estudio participaron 47 estudiantes universitarios y 36 personas de más edad, quienes fueron sometidos a unos cuestionarios analíticos anteriores y posteriores al visionado de dos capítulos de la serie televisiva. Tras la aplicación pre-test y post-test de la Escala de Comportamientos Morales Controvertidos, y las escalas EDI (Identificación con los personajes de relatos audiovisuales de ficción) e IRI (Interpersonal Reactivity Index), se revela que aunque el sexo y la edad no son factores explicativos, el visionado del capítulo de ficción es capaz de provocar un cambio en la escala moral en los sujetos.

El alcaide y la cárcel de la Chancillería de Valladolid a finales del siglo XVIII. Usos y abusos

Este trabajo se adentra en el estudio de la cárcel y su alcaide, vistos como agente y espacio jurisdiccional que forman parte de la maquinaria de un tribunal, en concreto del de la Real Chancillería de Valladolid, y que han sido concebidos para estar a su servicio. De tal manera, que son sus Alcaldes del Crimen los que articulan con sus autos el funcionamiento del espacio carcelario, pero a su autoridad se le superpone en lo cotidiano la directa del alcaide. La organización de este espacio, el uso y el abuso de la condición del alcaide, los elementos de que se sirve para llevar a cabo sus funciones, la conflictividad en este recinto y los intentos de fuga son actores del análisis concreto de una práctica carcelaria, en un momento en que la teoría sobre el delito y la pena, y el papel de las cárceles se está revisando en toda Europa.

Dynamic Social and Media Content Syndication for Second Screen

Social networking apps, sites and technologies offer a wide range of opportunities for businesses and developers to exploit the vast amount of information and user-generated content produced through social networking. In addition, the notion of second screen TV usage appears more influential than ever, with viewers continuously seeking further information and deeper engagement while watching their favourite movies or TV shows. In this work, the authors present SAM, an innovative platform that combines social media, content syndication and targets second screen usage to enhance media content provisioning, renovate the interaction with end-users and enrich their experience. SAM incorporates modern technologies and novel features in the areas of content management, dynamic social media, social mining, semantic annotation and multi-device representation to facilitate an advanced business environment for broadcasters, content and metadata providers, and editors to better exploit their assets and increase their revenues.

Aplicación de las tendencias en el nuevo consumidor, los medios y su consumo a la comunicación publicitaria

La comunicación propuesta se centra en el estudio de las tendencias del consumidor, los medios y su consumo, por una parte, y de las tendencias en el ámbito de la comunicación y la publicidad, especialmente en el entorno digital, por otra. Para ello se basa en las tendencias identificadas por los informes publicados por Trend Watching, JWT, WellComm, IAB Spain, HubSpot y Best Relations, con el objetivo de analizar cómo se aplican estas tendencias en la comunicación publicitaria. A partir de la descripción del nuevo panorama comunicativo y de las principales tendencias de mercado, la metodología se centra en el análisis de contenido de una muestra de acciones de comunicación que ejemplifican la aplicación de las tendencias en el discurso de la marca, algunas de ellas premiadas en los principales festivales publicitarios.

Is video-case an efficient tool to complement the practical learning in real contexts? Effects on satisfaction and performance in Social Work Degree students

Este documento es un artículo inédito que ha sido aceptado para su publicación. Como un servicio a sus autores y lectores, Alternativas. Cuadernos de trabajo social proporciona online esta edición preliminar. El manuscrito puede sufrir alteraciones tras la edición y corrección de pruebas, antes de su publicación definitiva. Los posibles cambios no afectarán en ningún caso a la información contenida en esta hoja, ni a lo esencial del contenido del artículo.

As consequências da não elaboração do Plano de Mobilidade Urbana na vida de munícipes com deficiência

O Plano de Mobilidade Urbana (PMU) pretende melhorar as condições em que se realizam os deslocamentos nas cidades, observando a acessibilidade para pessoas com deficiência. O PMU representa um avanço rumo à inclusão e um salto na qualidade de vida dos 45,6 milhões de brasileiros que possuem deficiência, uma vez que torna mais fácil ou até mesmo possível a circulação no espaço urbano e consequentemente o acesso a todos os bens e serviços que este oferece. Esta pesquisa objetiva avaliar os impactos negativos que a não elaboração do PMU pode gerar na vida de citadinos com deficiência e o quanto estes impactos podem comprometer o desenvolvimento sustentável das Cidades. Apenas 30% dos municípios brasileiros elaboraram o PMU no prazo estabelecido (abril/2015). Quando pessoas com deficiência nascem e crescem em regiões que não primam por sua inclusão, elas terão suas oportunidades de crescimento pessoal e profissional, comprometidas devido a ausência de acessibilidade, ao baixo acesso à saúde, à educação, ao emprego, à cultura e ao lazer. Por não desfrutarem de serviços e oportunidades, os citadinos com deficiência são reduzidos ao isolamento e os Municípios deixam de aproveitar fatia do potencial humano que poderia contribuir para seu sustentável desenvolvimento.

Traditional beluga drives of the Iñupiat of Kotzebue Sound, Alaska / Charles V. Lucier, James W. VanStone.

n.s. no.25(1995)

Essay on the French Revolution and the Napoleonic Wars,

This is a contemporary draft composition reviewing the course of the French Revolution and Napoleonic Wars. Tudor offers opinions on England’s diplomatic options after the renewal of hostilities and Prime Minister William Pitt the Younger: "His task is momentous and all Europe are watching his movements with anxiety." The document is signed "Marcus Valinus."

O livro infantil como ferramenta na educação artística e patrimonial : projeto editorial sobre património histórico-artístico de Lisboa

Children books can constitute an important tool to talk about art and heritage with children in preschool. The images and narrative help children to become aware that works of art can tell us stories and if they pay attention to the details they can discover their mysteries. The children book project: Ginja, um Gato Lisboeta is an example of that, revealing the history of the city through the adventures of a little girl and her cat Ginja, watching and discovering the heritage of Lisbon

Concentrations of perfluorinated carboxylic acids (PFCAs) and sulfonic acids (PFSAs) in liver samples of different marine mammals (1984-2009)

Temporal variations in concentrations of perfluorinated carboxylic acids (PFCAs) and sulfonic acids (PFSAs), including perfluorooctane sulfonate (PFOS) and perfluorooctanoate (PFOA) structural isomers, were examined in livers of pilot whale (Globicephala melas), ringed seal (Phoca hispida), minke whale (Balaenoptera acutorostrata), harbor porpoise (Phocoena phocoena), hooded seal (Cystophora cristata), Atlantic white-sided dolphin (Lagenorhynchus acutus) and in muscle tissue of fin whales (Balaenoptera physalus). The sampling spanned over 20 years (1984-2009) and covered a large geographical area of the North Atlantic and West Greenland. Liver and muscle samples were homogenized, extracted with acetonitrile, cleaned up using hexane and solid phase extraction (SPE), and analyzed by liquid chromatography with negative electrospray tandem mass spectrometry (LC-MS/MS). In general, the levels of the long-chained PFCAs (C9-C12) increased whereas the levels of PFOS remained steady over the studied period. The PFOS isomer pattern in pilot whale liver was relatively constant over the sampling years. However, in ringed seals there seemed to be a decrease in linear PFOS (L-PFOS) with time, going from 91% in 1984 to 83% in 2006.

Rhinebeck birds and seasons : articles published in the Rhinebeck gazette October 3rd, 1914 to September 25, 1915 /

"To which is added The second annual report of the Rhinebeck Bird Club."