• Proceedings of the PSK Conference
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• 2003.04a
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• pp.232.1-232.1
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• 2003

Bradykinin is an autocoid related to acute and chronic pain and inflammation. The non-peptide bradykinin antagonists are of interest as novel anti-inflammatory therapeutics and some active compounds such as FR 173657, LF 16-0687, and bradyzide were reported very recently. In our search for the new bradykinin antagonists, we designed to synthesize the analogues of FR173657 with two to three amide bonds and lipophilic ring system in each molecule. (omitted)

• Proceedings of the PSK Conference
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• 2003.10b
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• pp.186.1-186.1
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• 2003

Bradykinin is an autocoid related to acute and chronic pain and inflammation. The non-peptide bradykinin antagonists are of interest as novel anti-inflammatory therapeutics. Some active compounds such as FR 173657, LF 160687, and bradyzide were reported very recently. In our search for the new bradykinin antagonists, we designed and synthesized the iminodiacetic acid derivatives having two or three amide bonds and lipophilic ring system in each molecule. Liquid phase combinatorial synthesis using the iminodiacetic acid template gave diverse individual compounds rapidly and efficiently on a 10-50 mg scale. (omitted)

• Journal of the Korean Ceramic Society
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• v.40 no.12
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• pp.1170-1176
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• 2003

We developed an evolutionary optimization process involving a genetic algorithm and combinatorial chemistry (combi-chem), which was tailored exclusively for tile development of LED phosphors with a high luminescent efficiency, when excited by soft ultra violet irradiation. The ultimate goal of our study was to develop oxide red phosphors, which are suitable for three-band white Light Emitting Diodes (LED). To accomplish this, a computational evolutionary optimization process was adopted to screen a Eu$^{3+}$-doped alkali earth borosilicate system. The genetic algorithm is a well-known, very efficient heuristic optimization method and combi-chem is also a powerful tool for use in an actual experimental optimization process. Therefore the combination of a genetic algorithm and combi-chem would enhance the searching efficiency when applied to phosphor screening. Vertical simulations and an actual synthesis were carried out and promising red phosphors for three-band white LED applications, such as Eu$_{0.14}$Mg$_{0.18}$Ca$_{0.07}$Ba$_{0.12}$B$_{0.17}$Si$_{0.32}$O$_{\delta}$, were obtained.

• Archives of Pharmacal Research
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• v.27 no.4
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• pp.371-375
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• 2004

The silicon linker is the foremost traceless linker used in solid-phase reactions. Hydrogen fluo-ride (HF) or trifluoroacetic aicd (TFA) can remove the silicon linker with the silicon atom being replaced by a hydrogen atom. In this experiment, the linkers 1c and 2d, which are the most useful in solid-phase reactions, were synthesized, Linker 1c is composed of seven linearly linked carbons and linker 2d includes an oxygen atom in the linear carbon chain to increase the solvation capacity. The carboxylic acid component of linker 1c and 2d forms an amide or ester bond with resin. The synthesized linkers 1c and 2d could be utilized in constructing a chemical compound library that includes indole, benzodiazepine and phenothiazine (aromatic ring compounds).

• Journal of Korean Institute of Industrial Engineers
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• v.21 no.1
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• pp.33-49
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• 1995

Simulated annealing(SA) has been admitted as a general purpose optimization technique which can be utilized for almost all kinds of combinatorial optimization problems without much difficulty. But there are still some weak points to be resolved, one of which is the slow speed of convergence. In this study, we carefully review various previous efforts to improve SA and propose some variations of SA which can enhance the speed of convergence to the optimum solution. Then, we apply the revised SA algorithms to the scheduling and hardware allocation problems occurring in high-level synthesis(HLS) of VLSI design. We confirm the efficiency of the proposed methods through several HLS examples.

• 제어로봇시스템학회:학술대회논문집
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• 1995.10a
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• pp.328-331
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• 1995

A successful, computer-aided design support system can help a process designer focus on making effective design decisions, not merely tedious routine calculations. Such a system is essential to enhance quality of design in terms of economics, environmental benignity, reliability, robustness, and operability. Such a statement is even more accepted when applied to conceptual design problems, where gross design specifications are given while a combinatorial number of design alternatives exists. This paper presents an agent-based approach as a systematic and efficient way to design a design support system for the synthesis of conceptual chemical processes. An agent-based approach allows us to handle design knowledge as an object and thus greatly improve the modularity and reusability of that knowledge. Such modularity and reusability lead to the increased productivity in the development of a design support system and the increased ease in the relaxation of design decisions and the generation of design alternatives, both of which functions are critically important in dealing with the complexity and uncertainty of conceptual design problems.

• Bulletin of the Korean Chemical Society
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• v.32 no.1
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• pp.175-178
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• 2011

A facile, convenient, efficient and high yielding synthesis of a combinatorial library of coumarins has been developed by the condensation of readily available $\beta$-oxodithioesters and S,S-acetal with 2-hydroxy-1-naphthaldehyde in the presence of catalytic amount of $CuCl_2$ under solvent free conditions.

• Korean Chemical Engineering Research
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• v.51 no.6
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• pp.716-726
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• 2013

Enzymatic acylations catalyzed by hydrolytic enzymes, along with enzymatic hydrolysis, are established reactions in the synthesis of fine chemicals such as chiral intermediates and polymerizations in the industry. Those reactions have been carried out mostly in organic media due to the thermodynamic limitations. Recently, there have been reports on enzymatic acylations in aqueous media. They have dealt with the elucidation of reaction mechanisms of hydrolases and acyl transferases based on their X-ray structures, homology comparison of the two kinds of enzymes, substrate engineering of acyl donors and computational design of acyl transferases for enzymatic acylations in aqueous media. Enzymatic acylations play an important role in the combinatorial synthesis of natural products such as polyketides and nonribosomal peptides. In this review, the historic developments of enzymatic acylations and industrial examples are described briefly. In addition, recent developments of enzymatic acylations in the modification of natural products and their prospects will be discussed.

• Journal of Mechanical Science and Technology
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• v.19 no.5
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• pp.1072-1079
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• 2005

Conceptual design is the first step in the overall process of product design. Its intrinsic uncertainty, imprecision, and lack of information lead to the fact that current conceptual design activities in engineering have not been computerized and very few CAD systems are available to support conceptual design. In most of the current intelligent design systems, approach of principle synthesis, such as morphology matrix, bond graphic, or design catalogues, is usually adopted to deal with the concept generation, in which optional concepts are generally combined and enumerated through function analysis. However, as a large number of concepts are generated, it is difficult to evaluate and optimize these design candidates using regular algorithm. It is necessary to develop a new approach or a tool to solve the concept generation. Generally speaking, concept generation is a problem of concept synthesis. In substance, this process of developing design candidate is a combinatorial optimization process, viz., the process of concept generation can be regarded as a solution for a state-place composed of multi-concepts. In this paper, genetic algorithm is utilized as a feasible tool to solve the problem of combinatorial optimization in concept generation, in which the encoding method of morphology matrix based on function analysis is applied, and a sequence of optimal concepts are generated through the search and iterative process which is controlled by genetic operators, including selection, crossover, mutation, and reproduction in GA. Several crucial problems on GA are discussed in this paper, such as the calculation of fitness value and the criteria for heredity termination, which have a heavy effect on selection of better concepts. The feasibility and intellectualization of the proposed approach are demonstrated with an engineering case. In this work concept generation is implemented using GA, which can facilitate not only generating several better concepts, but also selecting the best concept. Thus optimal concepts can be conveniently developed and design efficiency can be greatly improved.

• Journal of the Korean Chemical Society
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• v.46 no.1
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• pp.69-75
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• 2002

The $Y_{1-x}(P_{1-y-z}Nb_yV_z)O_4:Eu_x$ blue and red emitting phosphors were prepared by the combinatorial chemistry method. The combinatorial library was designed to investigate the luminescence of the $Y_{1-x}(P_{1-y-z}Nb_yV_z)O_4:Eu_x$ phosphors under 254 nm and 147 nm excitations. In addition, the crystallinity and morphology of phosphors were checked by XRD and SEM. Based on the results from the combinatorial screenings, luminescent properties of phosphors are strongly dependent on the concentration of doping metal ions. It was found that a new phosphor $Y_{0.88}(P_{0.92}Nb_{0.05}V_{0.03})O_4:Eu_{0.12}$ shows excellent luminescent efficiency comparing to the $Y_{0.88}PO_4:Eu_{0.12}$ red phosphor.