Universal Alignment Probabilities and Subset Selection for Ordinal Optimization

We examine in this paper the subset selection procedure in the context of ordinal optimization introduced in Ref. 1. Major concepts including goal softening, selection subset, alignment probability, and ordered performance curve are formally introduced. A two-parameter model is devised to calculate alignment probabilities for a wide range of cases using two different selection rules: blind pick and horse race. Our major result includes the suggestion of quantifiable subset selection sizes which are universally applicable to many simulation and modeling problems, as demonstrated by the examples in this paper.     

Ab initio study of the Trinem antibiotic Sanfetrinem GV104326

We present a theoretical calculation of trinem antibiotic sanfetrinem GV104326 and its cis-isomer of proton in β-lactam ring and methoxy inversion isomer. Ab initio Hartree Fock method is employed to calculate the geometry optimization; optimized parameters, bond lengths, bond angles and dihedral angles of isomers. We also calculated the vibrational frequencies, the IR intensities, the Raman activities and the thermochemical parameters. Mulliken population analysis is used to compare bond strength of an active site. These results are compared with available experimental data and other related theoretical calculations. The calculated IR spectra are in good agreement with experiments. Calculated geometrical and conformational structures of sanfetrinem and its isomers support the previous study of the geometrical requirements for the antibacterial activities. The significance of the rotational conformation of the carboxyl group to chemical reactivities is discussed.     

High gravity batch and continuous processes for beer production: Evaluation of fermentation performance and beer quality

This study deals with two innovative brewing processes, high gravity batch and complete continuous beer fermentation systems. The results show a significant influence of the variables such as concentration and temperature on the yield factor of the substrate into ethanol and consequently on the productivity of the high gravity batch process. The technological feasibility of continuous production of beer based on yeast immobilization on cheap alternative carriers was also demonstrated. The influence of process parameters on fermentation performance and quality of the obtained beers was studied by sensorial analysis. No significant difference in the degree of acceptance between the obtained products and some traditional market brands was found. Presented at the 34th International Conference of the Slovak Society of Chemical Engineering, Tatranské Matliare, 21–25 May 2007.     

Silica-supported l-proline organocatalysts for asymmetric aldolisation

New heterogenised silica-based organocatalysts have been prepared via the sol–gel process from two silylated derivatives of l-proline, featuring either a carbamate or an ether linker. Co-gelification with variable amounts of TEOS was performed with and without porogen to yield high surface area solids. These materials were evaluated as heterogeneous phase organocatalysts for the asymmetric aldol reaction of p-nitrobenzaldehyde with acetone.     

Exact self-gravitating N-body motion in the CGHS model

In the asymptotically flat two-dimensional dilaton gravity, we present an N-body particle action which has a dilaton coupled mass term for the exact solubility. This gives nonperturbative exact solutions for the N-body self-gravitating system, so the infalling particles form a black hole and their trajectories are exactly described. In our two-dimensional case, the critical mass for the formation of black holes does not exist, so even a single particle forms a black hole. The infalling particles give additional time-like singularities in addition to the space-like black hole singularity. However, the latter singularities can be properly cloaked by the future horizons within some conditions.     

Decision making under uncertainty with fuzzy targets

This paper discusses the issue of how to use fuzzy targets in the target-based model for decision making under uncertainty. After introducing a target-based interpretation of the expected value on which it is shown that this model implicitly assumes a neutral behavior on attitude about the target, we examine the issue of using fuzzy targets considering different attitudes about the target selection of the decision maker. We also discuss the problem for situations on which the decision maker’s attitude about target may change according to different states of nature. Especially, it is shown that the target-based approach can provide an unified way for solving the problem of fuzzy decision making with uncertainty about the state of nature and imprecision about payoffs. Several numerical examples are given for illustration of the discussed issues.     

Synthesis of poly(2‐vinyl pyridine)‐b‐poly(n‐hexyl isocyanate) amphiphilic coil‐rod block copolymer by anionic polymerization

A well‐defined amphiphilic coil‐rod block copolymer, poly(2‐vinyl pyridine)‐b‐poly(n‐hexyl isocyanate) (P2VP‐b‐PHIC), was synthesized with quantitative yields by anionic polymerization. A low reactive one‐directional initiator, potassium diphenyl methane (DPM‐K), was very effective in polymerizing 2‐vinyl pyridine (2VP) without side reactions, leading to perfect control over molecular weight and molecular weight distribution over a broad range of initiator and monomer concentration. Copolymerization of 2VP with n‐hexyl isocyanate (HIC) was carried out in the presence of sodium tetraphenyl borate (NaBPh₄) to prevent backbiting reactions during isocyanate polymerization. Terminating the living end with a suitable end‐capping agent resulted in a P2VP‐b‐PHIC coil‐rod block copolymer with controlled molecular weight and narrow molecular weight distribution. Cast film from a chloroform solution of P2VP‐b‐PHIC displayed microphase separation, characteristic of coil‐rod block copolymers. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 43: 607–615, 2005     

A nanoscale field effect data storage of bipolar endo-fullerenes shuttle device

We investigated the internal dynamics of an electro-fluid shuttle memory element, consisting of K⁺@C₆₀ and F⁻@C₆₀ encapsulated in a C₆₄₀ nanocapsule. Energetics and operating responses of bipolar endo-fullerenes shuttle memory device, (K⁺@C₆₀–F⁻@C₆₀)@C₆₄₀, were examined by classical molecular dynamics simulations under the external force fields.