• Title/Summary/Keyword: 치환체

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Herbicidal Activity and Molecular Similarity of 1-(4-chloro-2-fluoro-5-propargyloxyphenyl)-3-thiourea Derivatives (1-(4-chloro-2-fluoro-5-propargyloxyphenyl)-3-thiourea 유도체의 제초활성과 분자 유사성)

  • Soung, Min-Gyu;Park, Kwan-Yong;Song, Jong-Hwan;Sung, Nack-Do
    • Applied Biological Chemistry
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    • v.51 no.3
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    • pp.219-222
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    • 2008
  • In the search for third generation herbicidal cyclic imide derivatives, the average values of herbicidal activity ($pI_{50}$) in vivo (pre-emergence) of 40 new peroxidizing herbicides, 1-(4-chloro-2-fluoro-5-propargyloxyphenyl)thiourea derivatives (1-40) against rice plant (Orysa sativa) and barnyard grass (Echinochlor crus-galli) were studied. The molecular similarity between protoporphyrinogen IX (protogen) as the substrate of protox enzyme and Urea derivatives (1-40) was discussed quantitatively. The diallyl (20) and 3-nitro substituent (33) showed the selective herbicidal activity against barnyard grass. Allyl substituent (8) and their molecular similarity in dice (S=0.81) showed the highest levels of herbicidal activity ($pI_{50}$=4.71). Also, similarity indices (S) and superimposed volume (C) of protogen and aryl-substituents (21-40) showed good correlation.

N-phenyl Substitutent Effect on the Herbicidal Activity of 2-(4-(6-chloro-2-benzoxazolyloxy)phenoxy)-N-phenylpropionamide Derivatives against Rice Plant with Pre- and Post-emergence (발아 전 후 벼의 약해에 미치는 2-(4-(6-chloro-2-benzoxazolyloxy)phenoxy)-N-phenylpropionamide 유도체들 중 N-phenyl치환기의 효과)

  • Lee, Sang-Ho;Ryu, Jae-Wook;Woo, Jae-Chun;Koo, Dong-Whan;Kim, Dae-Whang;Sung, Nack-Do
    • Applied Biological Chemistry
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    • v.43 no.1
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    • pp.52-56
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    • 2000
  • The influence of the 2-(4-(6-chloro-2-benzoxazolyloxy)phenoxy)-N-phenyl- propionamide derivatives on the herbicide activities against rice plant with pre-emergence and post-emergence in down land were examined and the structure activity relationship (SAR) were analyzed by Free-Wilson and Hansch method. In pre-emergence, the SAR approach is shown that the optimal, $({\pi})_{opt}=0.91$, hydrophobicity with electron donating effect of the ortho substituted mono substituents and 2,3,4-substituted three substituents were found to be contribute the herbicidal activity. Whereas, in post-emergence, the optimal, ({\pi})_{opt}=0.50$, hydrophobicity with electron withdrawing effect of meta substituted mono subsituents and 2,3-substituted two substituents were found to be contribute the herbicide activity. The herbicide activities with post-emergence more increase than that of pre-emergence. It is assumed from the SAR equations that the 2-methyl-3-methoxy-4-cyano group substituent is selected as the most lowest herbicide activity against rice plant with post-emergence in green house. The hydrolysis reaction was proceeded through nucleophilic addition-elimination (Ad_{Nu-E})$ with the orbital control between LUMO of substrate and HOMO of water molecule. And molecular electrostatic potential (MEP) of none (H) substituent was discussed.

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MO Studies on the Reaction of t-Butoxyl, t-Butyl Radical with Substituted-Toluenes (t-Butoxyl, t-Butyl 라디칼에 의한 치환체-톨루엔의 수소 추출반응에 대한 분자궤도론적 연구)

  • Young Gu Cheun;Mi Sook Hwang;Ikchoon Lee
    • Journal of the Korean Chemical Society
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    • v.27 no.6
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    • pp.391-398
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    • 1983
  • The reaction for the hydrogen abstraction from substituted-toluenes by t-butoxyl and t-butyl radical have been studied MO theoretically using CNDO/2 method. The reaction for the abstraction from substituted-toluenes by t-butoxyl radical showed the negative ${\rho}$ values from Hammett equation, since t-butoxyl radial is electrophilic, relatively low energy SOMO, which can interact with HOMO energy of substituted-toluens. On the other hand, t-butyl radical is nucleophilic, relatively high energy SOMO, which can interact with LUMO energy of substituted-toluenes. And so the reaction of abstraction from substituted-toluenes by t-butyl radical exhibited positive ${\rho}$ values.

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Quantitative Structure Activity Relationship (QSAR) Analyses on the Farnesyl Protein Transferase Inhibition Activity of Hetero Ring Substituted Chalcone Derivatives by the Hansch and Free-Wilson Method (Hansch와 Free-Wilson 방법에 의한 헤테로 고리 치환 chalcone 유도체들의 farnesyl protein transferase 저해활성에 대한 정량적 구조 활성 관계(QSAR) 의 분석)

  • Yu, Seong-Jae;Myung, Pyung-Keun;Kwon, Byung-Mok;Sung, Nack-Do
    • Applied Biological Chemistry
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    • v.43 no.2
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    • pp.95-99
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    • 2000
  • A series of hetero ring (X) substitued chalcone derivatives with farnesyl protein transferase (FPTase) inhibition activities $(pI_{50})$ values determined in vitro is analyzed by modified Free-Wilson (F-W) and Hansch method for quantitative structure activity relationship (QSARs). On the basis of F-W analysis on the FPTase inhibitory activity of a training set of the compounds, none of the (X)-substituents were not contribute the activity. But the net charge of ${\alpha}$ carbon atom is contribute the activity than that of ${\beta}$ carbon atom. And the relative orders of the (Y)-substituents on the activity are ortho>meta>para-substituents. According to Hansch approach, the activities would depend largely on the optimal, $(R_{opt.}=-0.35)$ resonance effect with ortho substituted $(I_o>0)$ electron donating group (R<0) and STERIMOL parameter, $B_1$ constant. The inhibition activity between hetro ring substituents have been a proportioned with each others and none substituent(H), 45 showed the highest FPTase inhibition $(pI_{50}=4.30)$ activity.

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Acaricidal Activity of S-Aryl Arenethiosulfonates (S-Aryl Arenethiosulfonate 유도체의 살응애력과 살란력)

  • Lee, Sang-Ik;Park, Chang-Kyu;Kuem, Yuong-Soo
    • Applied Biological Chemistry
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    • v.40 no.3
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    • pp.249-253
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    • 1997
  • The acaricidal and ovicidal activity against red spider mite (Tetranychus urticae) was examined for a series of S-aryl arenethiosulfonates and compared with sulfonate acaricide, ovex and senile. Substituted diphenyl disulfides were obtained from substituted thiophenols, chloronitrobenzene and aniline derivatives. The S-aryl arenesulfonothioates were synthesised from the oxidation of disulfides. Three kind of para substituted compounds were found to have good ovicidal effect but acaricidal activity against adult mite was negligible in all S-aryl arenethiosulfonates.

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Syntheses of Substituted tert.-Butyl(o-tolyl)-perpropionates (tert.-Butyl ${\beta}$-(o-tolyl)-perpropionate 치환체들의 합성)

  • Hahn, Chi-Sun;Martin, Michael M.
    • Journal of the Korean Chemical Society
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    • v.8 no.4
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    • pp.153-157
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    • 1964
  • The syntheses of substituted tert.-butyl ${\beta}$-(o-tolyl)- perpropionates via intermediates obtained by chloromethylation, malonic syntheses and decarboxylation is described. The intermediates substituted with a group possessing moderate substituent effect such as bromo, chloro, and methyl group were obtained in good yields. The nitro-substituted intermediat was obtained in poor yield. The chloromethylation of toluenes containing electron donating groups resulted in polymerization.

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Relation of Structural Features of Dinuclear Constrained Geometry Catalysts with Copolymerization Properties of Ethylene and 1-Hexene (이핵 CGC의 구조적인 특성과 에틸렌/1-헥센의 공중합 거동과의 관계)

  • Cao, Phan Thuy My;Nguyen, Thi Le Nhon;Nguyen, Thi Le Thanh;Noh, Seok-Kyun
    • Polymer(Korea)
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    • v.35 no.6
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    • pp.505-512
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    • 2011
  • Effects of structural features of 4 dinuclear constrained geometry catalysts having paraxylene derivative bridge (DCGC) on copolymerization of ethylene and 1-hexene were investigated. The bridges of three catalysts have para-xylene backbone with a different substituent at benzene ring. The substituents were hydrogen (Catalyst 1), isopropyl (Catalyst 2), n-hexyl (Catalyst 3) and 1-octyl (Catalyst 4). It was found that Catalyst 1 having hydrogen as a substituent exhibited the greatest activity among the four dinuclear CGCs. On the other hand, Catalyst 2 containing isopropyl as a substituent showed the smallest activity. Very interestingly, Catalyst 2 was able to produce about 6 times higher molecular weight polymer than Catalyst 3 and 4. Catalyst 3 and 4 having a long alkyl chain substituent revealed the biggest comonomer response to generate polyethylene copolymer containing more than 40% 1-hexene contents. These results suggest that the control of the substituent of para-xylene bridge of dinuclear CGC can provide a proper method to adjust the microstructure of polyethylene copolymers.

A Historical Note on Permutation Polynomials over Finite Fields (유한체상의 치환다항식에 관한 역사적 고찰)

  • Park Hong Goo
    • Journal for History of Mathematics
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    • v.18 no.2
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    • pp.117-126
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    • 2005
  • In this paper, we analyze the basic concepts of permutation polynomials over finite fields, and the historical background through the use of the major classes of permutation polynomials over the fields. And also, we find a method of the polynomial representation with respect to cycles on the fields.

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Investigation on Failure Behavior of Varying Ratios of Recycled Aggregate (순환골재 치환률에 따른 압축강도 비교분석)

  • Jang, Hoon;Chung, Wonseok;An, Zu-Og
    • 한국방재학회:학술대회논문집
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    • 2011.02a
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    • pp.160-160
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    • 2011
  • 현대의 건설기술은 자원절약과 환경보전이라는 시대적 흐름 속에, 자원순환과 지속 가능한 친환경 건설기술 개발은 차세대 연구분야로써, 연구가 시급한 분야가 되었다. 최근에는 골재 수급불균형 문제를 해결하고 동시에 자원순환을 위한 방안으로서 건설폐기물로부터 생산된 순환골재를 콘크리트용 천연골재의 대체재로 활용하기 위한 연구개발이 이루어지고 있다. 지속가능형 건설기술을 국내 독자 기술로 확립하고 건설현장에서 발생하는 폐기물의 순환시스템을 확고하게 구축하여 순환자원에 의한 국가경쟁력 강화를 기대할 수 있다. 본 연구의 목적은 순환골재 콘크리트의 역학적 특성을 개선하기 위해 순환골재 콘크리트 공시체를 제작하여 강도 및 강성을 검증하는 것이다. 실험방법으로 순환굵은골재의 치환 비율을 0%에서 100%까지 변화시킨 공시체를 제작하고 각 공시체의 정적 극한강도 거동을 비교 분석하였다. 하중은 공시체가 파괴가 발생 할 때까지 변위제어 방식으로 재하 하였으며 이 때 공시체의 파괴거동은 설치된 계측센서들을 이용하여 계측 및 분석하였다. 실험결과 공시체의 압축강도는 순환굵은골재 치환률이 25% 미만일 경우 일반 콘크리트 압축강도의 95% 이상의 구조성능을 갖지만, 순환굵은골재 치환률이 100%인 경우, 일반콘크리트 압축강도의 85% 수준의 구조성능을 나타냈다. 강성은 FRP 부재의 순환골재 치환률에 따라 최대 14%의 강성차이를 보였다. 이를 통해 순환골재 치환률이 높을수록 순환골재 표면의 폐모르타르와 이물질의 영향으로 재료간의 부착강도가 감소되어 강도와 강성이 저하되었음을 확인하였다.

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Thermodynamics of Meso substituted Thiacarbocyanines in Solution

  • 손세모
    • Journal of the Korean Graphic Arts Communication Society
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    • v.18 no.2
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    • pp.125-132
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    • 2000
  • To take an information of substitutent effect and thermodynamic of association at thiacarbocyanines, association constant $K_{D}$, free energy of association $\Delta$ $G_{D}$, enthalpies of association $\Delta$ $H_{D}$ were measured by spectrophotometer according to dependence on concentration of dyes and temperature of aqueous MeOH system. With increase of concentration dyes or decrease of temperature of aqueous MeOH system, absorption spectra of dyes exhibited equlilibria shift toward the dimer. Phenyl meso substituted thiacarbicyanine, DyeIII, resulted in higher $K_{D}$ and $\Delta$ $G_{D}$ values than DyeI and DyeII. To easily make an association of thacarbicyanine, meso substutituent group need to be a flat structure, which will make a park as well as lain tiles.tiles.ructure, which will make a park as well as lain tiles.les.

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