Insights into mechanism kinematics for protein motion simulation

Background: The high demanding computational requirements necessary to carry out protein motion simulations make it difficult to obtain information related to protein motion. On the one hand, molecular dynamics simulation requires huge computational resources to achieve satisfactory motion simulations. On the other hand, less accurate procedures such as interpolation methods, do not generate realistic morphs from the kinematic point of view. Analyzing a protein's movement is very similar to serial robots; thus, it is possible to treat the protein chain as a serial mechanism composed of rotational degrees of freedom. Recently, based on this hypothesis, new methodologies have arisen, based on mechanism and robot kinematics, to simulate protein motion. Probabilistic roadmap method, which discretizes the protein configurational space against a scoring function, or the kinetostatic compliance method that minimizes the torques that appear in bonds, aim to simulate protein motion with a reduced computational cost. Results: In this paper a new viewpoint for protein motion simulation, based on mechanism kinematics is presented. The paper describes a set of methodologies, combining different techniques such as structure normalization normalization processes, simulation algorithms and secondary structure detection procedures. The combination of all these procedures allows to obtain kinematic morphs of proteins achieving a very good computational cost-error rate, while maintaining the biological meaning of the obtained structures and the kinematic viability of the obtained motion. Conclusions: The procedure presented in this paper, implements different modules to perform the simulation of the conformational change suffered by a protein when exerting its function. The combination of a main simulation procedure assisted by a secondary structure process, and a side chain orientation strategy, allows to obtain a fast and reliable simulations of protein motion.

El plasma rico en factores de crecimiento como alternativa terapéutica en el ojo seco y en defectos epiteliales persistentes

184 p.

Effects of Yb concentration on the fluorescence spectra of Yb-doped YAlO3 single crystals

0.5 at.% Yb:YAlO3(YAP), 5 at.% Yb:YAP and 15 at.% Yb:YAP were grown using the Czochralski method. Their absorption and fluorescence spectra were measured at room temperature and their emission line shape was calculated using the method of reciprocity. It was observed that the fluorescence spectra changed appreciably with the increasing of Yb concentration. For 0.5 at.% Yb:YAP, the line shape of fluorescence is very similar with the calculated emission line shape; with the increasing of Yb doping concentration, the line shape of fluorescence is very different from the calculated emission line shape. These phenomena are caused by the strong self-absorption at 979 and 999 nm for Yb:YAP. (c) 2005 Elsevier B.V. All rights reserved.

Methoden der Qualitätsbeurteilung tiefgfrorener Fischerzeugnisse

Auszug aus einem Referat, gehalten am 25.4.1965 in Mainz vor dem "Ernährungswissenschaftlichen Beirat der Deutschen Fischwirtschaft"

Biomass and reproduction of Pacific sardine (Sardinops sagax) off the Pacific northwestern United States, 2003–2005

The Pacific sardine (Sardinops sagax) is distributed along the west coast of North America from Baja California to British Columbia. This article presents estimates of biomass, spawning biomass, and related biological parameters based on four trawl-ichthyoplankton surveys conducted during July 2003 –March 2005 off Oregon and Washington. The trawl-based biomass estimates, serving as relative abundance, were 198,600 t (coefficient of variation [CV] = 0.51) in July 2003, 20,100 t (0.8) in March 2004, 77,900 t (0.34) in July 2004, and 30,100 t (0.72) in March 2005 over an area close to 200,000 km2. The biomass estimates, high in July and low in March, are a strong indication of migration in and out of this area. Sardine spawn in July off the Pacific Northwest (PNW) coast and none of the sampled fish had spawned in March. The estimated spawning biomass for July 2003 and July 2004 was 39,184 t (0.57) and 84,120 t (0.93), respectively. The average active female sardine in the PNW spawned every 20–40 days compared to every 6–8 days off California. The spawning habitat was located in the southeastern area off the PNW coast, a shift from the northwest area off the PNW coast in the 1990s. Egg production in off the PNW for 2003–04 was lower than that off California and that in the 1990s. Because the biomass of Pacific sardine off the PNW appears to be supported heavily by migratory fish from California, the sustainability of the local PNW population relies on the stability of the population off California, and on local oceanographic conditions for local residence.

Mild Hydrothermal Synthesis, Crystal Structure, Thermal Behavior, Spectroscopic and Magnetic Properties of (NH4)0.80Li0.20[Fe(AsO4)F]

postprint

Preferencias de géneros televisivos, contexto familiar y valores, un estudio transcultural con adolescentes

304 p.