• 제목/요약/키워드: Combinatorial synthesis

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Liquid phase combinatorial synthesis of non-peptide bradykinin antagonists and evaluation of their activity on guinea-pig ileum

  • Park, Hea-Young;Kam, Yu-Rim
    • 대한약학회:학술대회논문집
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    • 대한약학회 2003년도 Proceedings of the Convention of the Pharmaceutical Society of Korea Vol.1
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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)

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The 3D-QSAR study of non-peptide bradykinin antagonists by CoMFA

  • Park, Hea-Young;Choi, Su-Young;Lee, Su-Jin;Kam, Yu-Rim
    • 대한약학회:학술대회논문집
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    • 대한약학회 2003년도 Proceedings of the Convention of the Pharmaceutical Society of Korea Vol.2-2
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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)

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유전알고리즘과 조합화학을 이용한 형광체 개발 (A Search for Red Phosphors Using Genetic Algorithm and Combinatorial Chemistry)

  • 이재문;유정곤;박덕현;손기선
    • 한국세라믹학회지
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    • 제40권12호
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    • pp.1170-1176
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    • 2003
  • 진화최적방법을 이용하여 alkali earth borosilicate 계열(Eu, Mg, Ca, Sr, Ba)$_{x}$ $B_{y}$S $i_{z}$ $O_{d}$에 E $u^{3+}$ 를 도핑 하여 고효율 적색 형광체를 합성하였다. 본 연구는 삼원색 백색 LED로의 적용을 목적으로 한다. 진화최적방법은 유전알고리즘과 조합화학을 연계하여, LED형광체 개발을 위해 개발하였다. 유전알고리즘을 조합화학에 접목함으로써 시간과 자원의 낭비 없이 매우 효율적인 형광체 탐색을 꾀할 수 있었다. 실질적인 실험에 앞서 다양한 목적함수를 이용하여 시뮬레이션을 실시하여 본 연구의 타당성을 증명하고 실제 합성한 결과 삼원색 백색 LED용 적색형광체(E $u_{0.14}$M $g_{0.18}$C $a_{0.07}$B $a_{0.12}$ $B_{0.17}$S $i_{0.32}$ $O_{{\delta}}$)를 얻었다.얻었다.다.얻었다.얻었다.다.

Synthesis of Silicon Tracelsss Linker for Solid-Phase Reaction

  • Mun Han-Seo;Seong Jin-Hyun
    • Archives of Pharmacal Research
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    • 제27권4호
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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).

Simulated Annealing 의 효과적 변형 및 HLS 에의 적용 (Effective Variations of Simulated Annealing and Their Implementation for High Level Synthesis)

  • 윤복식;송낙운
    • 대한산업공학회지
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    • 제21권1호
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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.

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Agent-based approach for the construction of a design support system for conceptual chemical process synthesis

  • Han, Chonghun;Stephanopoulos, George
    • 제어로봇시스템학회:학술대회논문집
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    • 제어로봇시스템학회 1995년도 Proceedings of the Korea Automation Control Conference, 10th (KACC); Seoul, Korea; 23-25 Oct. 1995
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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.

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Facile Synthesis of 3-Thioxo-3H-benzo[f]chromen-2-yl methanone and 3H-Benzo[f]chromene-3-one Under Solvent Free Condition

  • Singh, Okram Mukherjee;Devi, Nepram Sushuma;Devi, Laishram Ronibala;Lim, Ki-Bum;Yoon, Yong-Jin;Lee, Sang-Geyong
    • Bulletin of the Korean Chemical Society
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    • 제32권1호
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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.

효소를 이용한 아실화 반응의 최근 동향과 전망 (Recent Developments and Prospects in the Enzymatic Acylations)

  • 박오진
    • Korean Chemical Engineering Research
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    • 제51권6호
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    • pp.716-726
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    • 2013
  • 가수분해 효소(혹은 아실전이효소)를 이용한 알콜과 아민의 아실반응은 에스터의 가수분해 반응(hydrolysis, deacylation)과 더불어 효소를 이용한 유기합성 반응에서 이미 잘 확립된 기술로서, 산업체에서 제약의 합성이나 고분자의 합성에서 널리 응용되고 있다. 이러한 효소를 이용한 아실화 반응은 주로 열역학적인 제한으로 인해 그동안 대부분이 주로 유기용매에서 이루어지고 있다. 최근 들어서, 수용액에서 아실화반응을 전이효소를 이용하여 효율적으로 할 수 있다는 보고와 함께 그 반응 기제에 대한 연구들이, X-ray 구조와 이러한 반응을 가능하게 하는 효소의 단백질 서열 비교 연구, 그리고 계산 화학에 의한 효소의 설계 연구등을 통해 새롭게 밝혀지고 있다. 본 총설에서는 효소를 이용한 아실화반응을 유기용매와 수용액에서의 수행함에 있어서 장단점을 비교해 보면서, 앞으로의 전망도 함께 제시하고자 한다. 특별히 다양한 천연물들의 구조 변화에 아실화 반응 생체촉매를 사용할 수 있는 가능성에 대해 살펴볼 것이다.

Concept Optimization for Mechanical Product Using Genetic Algorithm

  • Huang Hong Zhong;Bo Rui Feng;Fan Xiang Feng
    • Journal of Mechanical Science and Technology
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    • 제19권5호
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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.

조합화학 기법을 이용한 Y1-x(P1-y-zNbyVz)O4:Eux 형광체의 합성 및 빛 발광 특성 (Synthesis and Photoluminescence Properties of Y1-x(P1-y-zNbyVz)O4:Eux Phosphors by Modified Combinatorial Chemistry Method)

  • 전일운;손기선;박희동
    • 대한화학회지
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    • 제46권1호
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    • pp.69-75
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    • 2002
  • 조합화학 기법을 이용하여 청색 및 적색 발광을 하는 $Y_{1-x}(P_{1-y-z}Nb_yV_z)O_4:Eu_x$ 형광체를 합성하였다. 합성한 $Y_{1-x}(P_{1-y-z}Nb_yV_z)O_4:Eu_x$ 형광체에 대하여 254 nm 및 147 nm 여기 하에서의 발광 세기에 관한 라이브러리를 완성하였고, 또한 형광체의 결정성과 입자 현상은 XRD와 SEM으로 특성을 관찰하였다. 조합검색 결과로부터 $Y_{1-x}(P_{1-y-z}Nb_yV_z)O_4:Eu_x$ 형광체의 발광특성은 P 자리에 치환되는 금속이온의 영향을 많이 받았다. 결과적으로 $Y_{0.88}PO_4:Eu_{0.12}$ 형광체와 비교하여 발광 효율이 우수한 새로운 $Y_{0.88}(P_{0.92}Nb_{0.05}V_{0.03})O_4:Eu_{0.12}$ 형광체를 찾아내었다.