• Title/Summary/Keyword: 입체 선택성

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Comparative molecular field analysis (CoMFA) and holographic quantitative structure-activity relationship (HQSAR) on the growth inhibition activity of the herbicidal 3-phenyl-5-(3,7-dichloro-8-quinolinyl)-1,2,4-oxadiazole derivatives (제초성 3-Phenyl-5-(3,7-dichloro-8-quinolinyl)-1,2,4-oxadiazole 유도체들의 생장 저해활성에 관한 비교 분자장 분석 (CoMFA)과 분자 홀로그램 구조-활성관계 (HQSAR))

  • Sung, Nack-Do;Lee, Sang-Ho;Song, Jong-Hwan;Kim, Hyoung-Rae
    • The Korean Journal of Pesticide Science
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    • v.7 no.2
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    • pp.108-116
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    • 2003
  • A series of new quinclorac family, herbicidal 3-phenyl-5-(3,7-dichloro-8-quinolinyl)-1,2,4-oxadiazole derivatives as substrate were synthesized and their growth inhibition activity $(pI_{50})$ against root and shoot of rice plant (Oryza sativa L.) and barnyard grass (Echinochloa crus-galli) were determined. And then comparative molecular field analysis (CoMFA) and molecular holographic quantitative structure- activity relationship (HQSAR) were compared in terms of their potential for predictiability. The statistical results were suggested that HQSAR based model had better predictability than CoMFA model. The selective factors to remove barnyard grass take electron withdrawing groups which can be created positive charge and steric bulky on the phenyl ring. Results revealed that the unknown 2,6-dichloro-substituent, U5 and 2,4,6-trichloro-substituent, U6(${\Delta}pI_{50}$=CoMFA: 1.18 & HQSAR: 1.82) were predicted as compound with higher activity and selectivity.

Dose Planning of Forward Intensity Modulated Radiation Therapy for Nasopharyngeal Cancer using Compensating Filters (보상여과판을 이용한 비인강암의 전방위 강도변조 방사선치료계획)

  • Chu Sung Sil;Lee Sang-wook;Suh Chang Ok;Kim Gwi Eon
    • Radiation Oncology Journal
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    • v.19 no.1
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    • pp.53-65
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    • 2001
  • Purpose : To improve the local control of patients with nasopharyngeal cancer, we have implemented 3-D conformal radiotherapy and forward intensity modulated radiation therapy (IMRT) to used of compensating filters. Three dimension conformal radiotherapy with intensity modulation is a new modality for cancer treatments. We designed 3-D treatment planning with 3-D RTP (radiation treatment planning system) and evaluation dose distribution with tumor control probability (TCP) and normal tissue complication probability (NTCP). Material and Methods : We have developed a treatment plan consisting four intensity modulated photon fields that are delivered through the compensating tilters and block transmission for critical organs. We get a full size CT imaging including head and neck as 3 mm slices, and delineating PTV (planning target volume) and surrounding critical organs, and reconstructed 3D imaging on the computer windows. In the planning stage, the planner specifies the number of beams and their directions including non-coplanar, and the prescribed doses for the target volume and the permissible dose of normal organs and the overlap regions. We designed compensating filter according to tissue deficit and PTV volume shape also dose weighting for each field to obtain adequate dose distribution, and shielding blocks weighting for transmission. Therapeutic gains were evaluated by numerical equation of tumor control probability and normal tissue complication probability. The TCP and NTCP by DVH (dose volume histogram) were compared with the 3-D conformal radiotherapy and forward intensity modulated conformal radiotherapy by compensator and blocks weighting. Optimization for the weight distribution was peformed iteration with initial guess weight or the even weight distribution. The TCP and NTCP by DVH were compared with the 3-D conformal radiotherapy and intensitiy modulated conformal radiotherapy by compensator and blocks weighting. Results : Using a four field IMRT plan, we have customized dose distribution to conform and deliver sufficient dose to the PTV. In addition, in the overlap regions between the PTV and the normal organs (spinal cord, salivary grand, pituitary, optic nerves), the dose is kept within the tolerance of the respective organs. We evaluated to obtain sufficient TCP value and acceptable NTCP using compensating filters. Quality assurance checks show acceptable agreement between the planned and the implemented MLC(multi-leaf collimator). Conclusion : IMRT provides a powerful and efficient solution for complex planning problems where the surrounding normal tissues place severe constraints on the prescription dose. The intensity modulated fields can be efficaciously and accurately delivered using compensating filters.

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전이금속 (Ru$^{3+}$, Ni$^{2+}$, Cu$^{2+}$, Pd$^{2+}$)-Polyaza(N$_4$) 착물의 합성과 올레핀 산화반응에 대한 촉매적 활성

  • Park, Yu Cheol;Kim, Seong Su;Na, Hun Gil;Lee, Dong Cheol;Sin, Sang Hui;Byeon, Jong Cheol
    • Journal of the Korean Chemical Society
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    • v.38 no.4
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    • pp.295-301
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    • 1994
  • The Ru(Ⅲ), Ni(Ⅱ), Cu(Ⅱ), and Pd(Ⅱ) complexes of N$_4$-polydentate ligands(meso-Me$_6$-[14]-ane, rac-Me$_6$-[14]-ane, and cyclam) have been prepared and their catalytic activity and selectivity in the oxidation of olefins in the presence of oxidant such as NaOCl, H$_2$O$_2$, t-BuOOH, and PhIO studied. The oxidations of cyclohexene, 1-hexene, cyclooctene, 1-octene, and styrene as substrates have been investigated gas chromatographically. The Ru(Ⅲ)-N$_4$ complexes showed high selectivity for epoxide in the catalyzed oxidation of olefins with NaOCl. The catalytic activities of Ru(Ⅲ)-N$_4$ complexes were discussed in terms of the flexibility of N$_4$-polydentate ligands, the Ru(Ⅲ)-Cl bond interaction and the steric effect of oxidants. The oxidation of 1-octene using PhIO as oxidant was carried out to verify. The Pd(Ⅱ) complex turned out to be more active catalyst than the Ni(Ⅱ) complexes.

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Structure-activity relationships on the selective herbicidal activity between rice plant and barnyard grass by the N-phenyl substituents in 2-(4-(6-chloro-2-benzoxazolyloxy)-phenoxy)-N-phenyl propionamide derivatives (2-(4-(6-chloro-2-benzoxazolyloxy) phenoxy)-N-phenyl propionamide 유도체 중 N-phenyl 치환체들에 의한 벼와 피의 선택적 제초활성에 미치는 구조-활성관계)

  • Sung, Nack-Do;Lee, Sang-Ho;Chang, Hae-Sung;Kim, Dae-Whang;Kim, Jin-Suk
    • The Korean Journal of Pesticide Science
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    • v.3 no.3
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    • pp.11-19
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    • 1999
  • A some of synthesized 2-(4-(6-chloro-2-benzoxazolyloxy)phenoxy)-N-phenyl propionamide derivativesa substrates were found to selectivity significantly with both rice plant (Oryza sativa L.) and barnyard grass (Echinochloa crus-galli) for those her- bicidal activities with post emergence in up land. The selectivity of substrates against rice plant better than that of Fenoxaprop-ethyl. The structure activity relationship (SAR) n the selectivity of N-phenyl substituents were analyzed by the Free-Wilson and Hansch method. The SAR approach against barnyard grass is shown that the optimal ($({\pi})_{opt.}=1.60$) hydrophobicity and electron donating effects ($0<{\sigma}$ & 0$(ES)_{opt.}=0.87$) so that the herbicidal activity against rice plant can be decreased. The significance of these results on the selectivity between barnyard grass and rice plant is discussed. And it is assumed that the 2-ethoxy-3-methoxy-4-dimethylamino group substituent ($pI_{50}$=6.60, 1g/ha) is selected as the most highest herbicidal activity against barngard grass in green house.

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Development of Recombinant Saccharomyces cerevisiae Expressing Epoxide Hydrolase for the Preparation of Chiral Phenyl Oxirane (광학활성 Phenyl Oxirane 제조용 유전자 재조합 생촉매 개발)

  • 이수정;이은정;김초희;이지원;김희숙;이은열
    • Journal of Life Science
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    • v.13 no.1
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    • pp.105-109
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    • 2003
  • Epoxide hydrolase (EH) gene from Aspergillus niger #33 was cloned from cDNA library generated by reverse transcriptase-polymerase chain reaction (RT-PCR). The nucleotide sequence analysis revealed that the deduced amino acid sequence was almost similiar to that of A. niger LCP521 previously reported. The cloned EH gene was transformed into Saccharomyces cerevisiae and expressed by addition of galactose. The recombinant S. cerevisiae showed hydrolytic activity toward racemic phenyl oxirane substrate based on chiral GC analysis, and can be used as a potential biocatalyst for the preparation of chiral phenyl oxirane.

A Study of Relationship of Independence or Dependence for Reg ion using Isophotes Analysis (등조선(Isophote) 분석을 애용한 영역의 독립, 종속관계 연구)

  • 이승수;박장춘
    • Journal of the Korea Society of Computer and Information
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    • v.9 no.2
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    • pp.27-32
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    • 2004
  • If the areas existing in an object are composed of different color sets, the applicable object is segmented into independent areas so it gets to lose the meaning as an object. Therefore, it is required to selectively apply other information on the areas in addition to color information. Based on this methodology, this study, in addition to color information, has also analyzed the shape of isophotes that connect equivalence of brightness as a way of expressing cubic effect. And, through the analyzed information, it has judges independence or dependence of the areas, and then, proposed a way of object separation through significant regional matching of an object.

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Building a Stereoscopic Display System for 3-D Spatial Data Analysis (3차원 공간 자료 분석을 위한 입체형 시각화 시스템 구축)

  • Lee, Doo-Sung
    • Geophysics and Geophysical Exploration
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    • v.7 no.2
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    • pp.105-108
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    • 2004
  • Immersive virtual reality has been used in areas of oil and gas exploration for visualization and analysis of various spatial data, such as wireline logs, 3-dimensional seismic data volume, formational boundaries, fault, and some other reservoir characteristics. Although virtual reality is a valuable tool in this area, in most cases, it requires a large budget. This paper describes the construction of a single screen, passive stereo, virtual reality, display system based on commodity, or otherwise, low-cost components. The core elements of the system are a PC with a two-channel 3-D graphics, two projects, and a polarized stereo. There are many options available for the major elements of such a system, and the basic system can be modified or adapted to many different styles of use.

Oxidation of Benzyl Ethers in Sodium Hypochlorite Mediated Piperidine-1-oxyl System (촉매량의 Piperidine-1-oxyl과 NaOCl계에서 벤질 에테르 유도체들의 산화 반응)

  • Cho, Nam Sook;Park, Chan Heun
    • Journal of the Korean Chemical Society
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    • v.39 no.8
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    • pp.657-665
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    • 1995
  • The oxidation of various benzyl ethers and benzyl alkyl ethers to benzoates has been studied in two-phase system of $CH_3CO_2Et$ and aqueous NaOCl (6.6 mol eq.). The oxidant N-oxo-4-methoxy-2,2,6,6-tetramethylpiperidium bromide (N-oxoammonium salt) was prepared in situ and recycled by addition of 4-methoxy-2,2,6,6-tetramethylpiperidine-1-oxyl (0.03 mol eq., 4-methoxy-TEMPO), co-catalyst KBr (0.03mol eq.) and second oxidant NaOCl. Thus the catalytic amount of 4-methoxy-TEMPO was used. An adjustment of the pH value of below 8.0 was also required for this reaction with 2.5 hr of reaction time at 0∼5$^{\circ}C$. Under these conditions benzyl ethers were oxidized to benzoates. The selectivity of oxidation of benzyl alkyl ethers is dependent on the acidity of hydrogen and steric effect of alkyl group.

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Genetic Algorithm-based Generative Design for Creative Ring Design (독창적 반지 설계를 위한 유전자 알고리즘 기반의 변환생성 디자인)

  • Kim, Ko Uh;Kang, Sol Ji;Jee, Sang Hyeon;Lee, Seung Bok;Lee, Keon Myung
    • Journal of the Korean Institute of Intelligent Systems
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    • v.24 no.3
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    • pp.233-238
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    • 2014
  • Creativity is crucial in designing and producing attractive accessaries and daily supplies as well as art works. Generative design can be a paradigm to be used to obtain novel ideas or motifs for creative design works. This paper introduces a generative design method which comes up with unique ring models using genetic algorithm. It presents how the genetic algorithm works in terms of candidate solution coding, operators, and fitness evaluation function. The proposed method allows the customers to express their personal preference and later the preference to be reflected in fitness evaluation. In the final stage of the proposed method, several ring models are suggested for customers to choose on their own. The chosen ring models can be put into physical rings with the help of a 3D printer because the models are expressed in 3D geometric structures.

내열설 전분다 전환효소: 이성화효소 및 트레할로스 합성효소

  • 고석훈;박병철;이대실
    • Food Industry And Nutrition
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    • v.2 no.1
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    • pp.7-9
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    • 1997
  • 내열설 미생물, Thermus caldophilus CK24에 대한 탄수화물 생합성을 연구하는 과정에서 다양한 탄수화물 관련효소를 탐색하고 그레 대한 생화학적 및 분자생물학적 연구를 수행하고 있다. 일차로 내열성 미생물내 1) 당핵산염 합성효소와 당전이 효소, 2) 탄수화물 대사효소. 3)탄수화물 분해 및 전환효소의 존재를 HPLC/Bio-LC분석을 통하여 확인하고 이들에 대한 연구를 진행하고 있다. 본 연구발표에서는 포도당을 과당으로 전환하는 이성화효소(xylose isomerase), 그리고 맥아당을 트레할로스로 전환하는 트레할로스 합성효소(trehalose synthase)를 소개하고저 한다. 이성화효소는 이미 산업적 과당 생산에서 대규모적으로 사용되고 있는 식품산업효소이다. 본 연구에서는 Thermus caldophilus GK24, Thermus thermophilus HB8, Thermus flavus AT62 3종의 내열성 미생물에 대한 이성화효소 유전자를 클로닝 하고, 각 재조합하고 이성화효소를 대량생산하였다. 이 내열성 이성화효소는 최적 반응 온도가 8$0^{\circ}C$이고, 포도당을 과당으로 전환하는 수유른 55%이었다. 이러한 과당전환률은 이미 산업적으로 사용되고 있는 이성화효소의 과당전환률(43%)보다 훨씬 높은 것으로 과당 생산공정의 단순화의 생산성 향상에 결정적인 요인이라 할 수 있다. 한편 본 이성화효소의 산업적 특성을 증대하기 위하여 구조-기능관계 연구를 착수하였다. 우선 내열성 이산화 효소의 입체 구조를 결정하였고, 구조조정에 따른 기능적 특성을 조사하기 위하여 특정 위치의 선택적 변이 연구를 진행하고 있다. 끝으로 포도당 전이 효소를 추적하던 과정에서 맥아당을 트레할로스로 전환하는 새로운 효소를 Thermus caldo-philus GK24에서 발견하였다. 그 트레할로스 합성효소는 분자량이 약 110kDa이고 최적 반응온도가 75$^{\circ}C$이면, 조효소없이 맥아당을 트레할로스로 80%이상 전환해 주는 가역효소이었다. 본 연구에서는 효소반응의 조건과 특성을 조사하였고, 효소 아미노-밀단의 서열결정정보를 통하여 효소의 유전자를 클로닝 하고 그 유전자의 구조와 발현연구를 진행하고 있다.

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