The last dozen of years of OR research in Czechia and Slovakia

Central European Journal of Operations Research - The paper discusses operations research (OR) history and achievements in Czechia and Slovakia in 2010–2021 including the most significant OR...     

Approximation of convex bodies by simplices

This paper deals with the following kind of approximation of a convex bodyQ in Euclidean space E ⁿ by simplices: which is the smallest positive numberh _S(Q) such thatS ₁ Q S ₂ for a simplexS ₁ and its homothetic copyS ₂ of ratioh _S(Q). It is shown that ifS ₀ is a simplex of maximal volume contained inQ, then a homothetic copy ofS ₀ of ratio 13/3 containsQ.     

Design considerations and computer modeling related to the development of molecular scaffolds and peptide mimetics for combinatorial chemistry

Summary A critical issue in drug discovery utilizing combinatorial chemistry as part of the discovery process is the choice of scaffolds to be used for a proper presentation, in a three-dimensional space, of the critical elements of structure necessary for molecular recognition (binding) and information transfer (agonist/ antagonist). In the case of polypeptide ligands, considerations related to the properties of various backbone structures (-helix, -sheets, etc.; , space) and those related to three-dimensional presentation of side-chain moieties (topography; (chi) space) must be addressed, although they often present quite different elements in the molecular recognition puzzle. We have addressed aspects of this problem by examining the three-dimensional structures of chemically different scaffolds at various distances from the scaffold to evaluate their putative diversity. We find that chemically diverse scaffolds can readily become topographically similar. We suggest a topographical approach involving design in chi space to deal with these problems.     

A model of solidification under microgravity conditions

The influence of the microgravity environment on solidification processes is discussed. A simple model of the solidification of a binary-alloy is presented with the chemical diffusion influenced by the gravitational field. Using the results of Mullins and Sekerka, we employ the linear theory of hydrodynamic stability to investigate the interfacial instability driving the pattern-forming processes in solidification. As a result, we estimate the characteristic size of the elements of the emerging pattern. We show that, in spite of good agreement of our result with the size of cellulae observed in experiments, the model cannot explain the changes in the patterns occurring in space environment. In conclusion we shortly discuss the possibility of adding realism to our simple model by including the effect of convection.     

A microcomputer-controlled titrator for automated individual analysis

A titration unit for automatic analysis systems is described. The titrator performs different titrations specified by strings of digital parameters. It has 4 independent titration stations with individual electrode systems. A multiburette with 20 cylinders provides all stations with the necessary reagents. End-point titrations, and incremental and equilibrium titrations are controlled by a microcomputer. In combination with a sample transport and a desk calculator, the titrator can be used to process automatically samples of different natures which require different treatment.     

Impact of adsorption isotherm parameters on the performance of enantioseparation using simulated moving bed chromatography

Often there are several chromatographic systems, i.e., combinations of mobile and stationary phases, available to solve a certain separation problem. Essential differences of these chromatographic systems are the separation factors and the efficiencies. For preparative applications in addition also the column saturation capacities and solubility limits are of importance. The impact of all these parameters appears to be rather well understood for conventional overloaded elution chromatography using a single column. In the last years the continuous simulated moving bed (SMB) process was increasingly used as a powerful alternative to batch elution since increased productivities and reduced solvent consumptions could be realised. However, the selection of suitable chromatographic systems is more sophisticated for this process. In this paper five different chromatographic systems capable of separating the enantiomers of mandelic acid are compared based on the achievable productivities using SMB chromatography. For these five systems the adsorption isotherms have been determined experimentally. Subsequently, an analysis of the SMB process was performed numerically using a well-established model.