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901.
Distance algorithms are most frequently used in robotics to determine the distance between two obstacles in the environment of a robot or between a sensor point and an object. We extend the multibody simulation package MOBILE for an application of accurate algorithms for distance computation between objects represented by convex or non-convex polyhedra. These objects are represented by their vertices and oriented facets. As an application example, a multibody system is discussed where a sensor point moves close to a non-convex obstacle. The computed results show that the algorithms developed are suitable for accurate real-time multibody simulations. (© 2005 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献
902.
Meierhenrich UJ Muñoz Caro GM Schutte WA Thiemann WH Barbier B Brack A 《Chemistry (Weinheim an der Bergstrasse, Germany)》2005,11(17):4895-4900
Biological cofactors include functionalized derivatives of cyclic tetrapyrrole structures that incorporate different metal ions. They build up structural partnerships with proteins, which play a crucial role in biochemical reactions. Porphyrin, chlorin, bacteriochlorin, and corrin are the basic structures of cofactors (heme, chlorophyll, bacteriochlorophyll, siroheme, F 430, and vitamin B12). Laboratory and theoretical work suggest that the molecular building blocks of proteins (alpha-amino acids) and nucleic acids (carbohydrates, purines, and pyrimidines) were generated under prebiotic conditions. On the other hand, experimental data on the prebiotic chemistry of cofactors are rare. We propose to search directly for the pathways of the formation of cofactors in the laboratory. Herein we report on the detection of N-heterocycles and amines in the room-temperature residue obtained after photo- and thermal processing of an interstellar ice analogue under high vacuum at 12 K. Among them, hexahydro-1,3,5-triazine and its derivatives, together with monopyrrolic molecules, are precursors of porphinoid cofactors. Hexahydropyrimidine was also detected. This is the first detection of these compounds in experiments simulating circumstellar/interstellar conditions. Except for 2-aminopyrrole and 2,4-diaminofuran, which were only found in 13C-labeled experiments, all the reported species were detected in both 12C- and 13C-labeled experiments, excluding contamination. The molecules reported here might be present in circumstellar/interstellar grains and cometary dust and could be detected by the Stardust and Rosetta missions. 相似文献
903.
We investigate the structure and dynamics of charge-stabilized CoFe(2)O(4)-SiO(2) core-shell magnetic nanoparticles in suspensions. Small angle x-ray scattering and x-ray photon correlation spectroscopy allow us to analyze the intraparticle (core-shell) and interparticle structure of the suspension, as well as their dynamic and hydrodynamic behavior. Due to the weak magnetic interactions, the liquidlike structure is governed by screened Coulomb interactions. The hydrodynamic interactions of the measured systems are significantly stronger than predicted by current theories. 相似文献
904.
Feiters MC Leblanc C Küpper FC Meyer-Klaucke W Michel G Potin P 《Journal of the American Chemical Society》2005,127(44):15340-15341
On the basis of EXAFS and MS/MS experimental results and a reinterpretation of the electron density map obtained by X-ray crystallography, we describe a new post-translational modification, that is, a 3,5-dibromotyrosine residue that is incorporated in the polypeptide chain of a vanadium haloperoxidase. 相似文献
905.
Sander W Exner M Winkler M Balster A Hjerpe A Kraka E Cremer D 《Journal of the American Chemical Society》2002,124(44):13072-13079
m-Benzyne (2) was generated in low-temperature matrices and IR spectroscopically characterized from four different precursors. To assign the IR absorptions, the perdeuterated derivative 2-d(4) was also investigated. By comparison with CCSD(T) calculations all vibrations between 200 and 2500 cm(-)(1) with a predicted relative intensity >2% could be assigned. All experimental and theoretical results are in accordance with a biradicaloid structure for 2, while there is no evidence for a bicyclic closed-shell structure. While benzyne 2 is stable under the conditions of matrix isolation at low temperature, flash vacuum pyrolysis at high temperatures or UV irradiation results in the rearrangement to cis-enediyne. A mechanism involving ring opening accompanied by hydrogen migration is proposed. 相似文献
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