Computer-aided design in mechanisms

The man-machine dialog is very important for the design process. In this paper a program system, based on the minicomputer KRS 4201 (ROBOTRON), is demonstrated by using an interactive graphical screen. This program system provides the opportunity to analyze and synthesize mechanisms up to 16 links. The application is demonstrated by designing a front-loader-system for a truck. Real-time animation of seven-bar linkages and coupler curves, including velocity and acceleration, are shown.     

Kinetik der polykondensation von natriumsulfidhydrat und 1,4-dichlorbenzol zu poly(thio-1,4-phenylen)

The kinetics of the polycondensation of sodium sulfide hydrate and 1,4-dichlorobenzene to poly(thio-1,4-phenylene) in 1-methyl-2-pyrrolidone as solvent was studied in a differential scanning calorimeter at temperatures between 220 and 280°C. This polycondensation shows an autocatalytic behavior and the kinetics can be modelled by a first order reaction up to complete conversion. This is explained by the low solubility of sodium sulfide in l-methyl-2-pyrrolidone. The concentration of sodium sulfide is regarded as being constant during the whole course of the reaction. The autocatalytic effect can be explained by the increase of the condensation rate constant at the beginning of polycondensation due to the higher reactivity of the oligomers compared to the monomers. The number- and the weight-average molecular weight of the products formed during the course of the polycondensation can be modelled by means of stochastic methods. A simple model with only two different rate constants of the condensation process is assumed. The concentration of sodium sulfide in the reactive phase is found to be 2–5% of the value of dichlorobenzene at the beginning of the reaction and remains constant nearly until the end of polycondensation.     

Darstellung komplexer Betriebsschlacken des LD-Verfahrens im Quasidreistoffsystem

Aus der Darstellung der Schlackenzusammensetzungen im Quasidreistoffsystem ist die Lage der Schlacken zur Kalksättigungslinie deutlich zu erkennen. Die Sublanzenschlacken lassen den Schlackenweg während der letzten Blasminuten erkennen, durch Bodenspülung und Nachspülen wird eine geringe Annäherung an die Kalksättigungslinie erreicht. Aus der Lage der Schlacken im Quasidreistoffsystem läßt sich der Einfluß der Temperatur auf den Verlauf der Kalksättigung entlang unterschiedlicher T-X-Schnitte bestimmen.     

dc Electrical Degradation of Perovskite-Type Titanates: I, Ceramics

The rate of the resistance degradation of doped SrTiO₃ ceramics is investigated as a function of various external and material parameters. The effects of the mutually interrelated parameters dc voltage, dc electric field, and thickness of the dielectric are described by power laws. Electron microscopic potential contrast studies show a Maxwell-Wagner polarization leading to a concentration of the electric field at the grain boundaries during the degradation. Based on this finding, the voltage step per grain boundary, ΔΘ_gb, is introduced as a rate-determining parameter which allows an explanation of the influence of the grain size on the degradation rate as well as the difference in the power laws for ceramic and single-crystal samples.     

Towards understanding the mechanism of action of the multidrug resistance-linked half-ABC transporter ABCG2: a molecular modeling study

The ATP-binding cassette protein ABCG2 is a member of a broad family of ABC transporters with potential clinical importance as a mediator of multidrug resistance. We carried out a homology and knowledge-based, and mutationally improved molecular modeling study to establish a much needed structural framework for the protein, which could serve as guidance for further genetic, biochemical, and structural analyses. Based on homology with known structures of both full-length and nucleotide-binding domains (NBD) of ABC transporters and structural knowledge of integral membrane proteins, an initial model of ABCG2 was established. Subsequent refinement to conform to the lipophilic index distributions in the transmembrane domain (TMD) and to the results of site-directed mutagenesis experiments led to an improved model. The complete ABCG2 model consists of two identical subunits facing each other in a closed conformation. The dimeric interface in the nucleotide-binding domain (NBD) involves a characteristic nucleotide sandwich and the interface in the TMD consists of the TM helices 1–3 of one subunit and the helices 5 and 6 of the other. The interface between the NBD and the TMD is bridged by the conserved structural motif between TM2 and TM3, the intracellular domain 1 (ICD1), and the terminal β-strand (S6) of the central β-sheet in the NBD. The apparent flexibility of the ICD1 may play a role in transmitting conformational changes from the NBD to the TMD or from the TMD to the NBD.