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성낙도 한국응용생명화학회 2003 Applied Biological Chemistry (Appl Biol Chem) Vol.46 No.3
Biological Hammett Equation에 기초하여 Hansch-Fujita식으로 제안된 정량적인 구조 활성상관(QSAR) 기법(Sung, Nack-Do (2002) Development of new agrochemicals by quantitative structure-activity relationship(QSAR) methodology. Kor. J. Pestic. Sci. 6: 166-174, 231-243 및 7: 1-11)에 따른 새로운 농약의 탐색과 개발에 관하여 1990년도를 전후한 국내에서 이루어진 QSAR 기법 중 주로 2D QSAR 기법의 활용연구 현황에 대하여 조명하였다. It was reviewed for the status of domestic research before and after 1990's for search of a new pesticides using 2D QSAR of quantitative structure-activity relationship (QSAR) methodologies (Sung, Nack-Do (2002) Development of new agrochemicals by quantitative structure-activity relationship (QSAR) methodology. Kor. J. Pestic. Sci. 6, 166-174, 231-243 & 7, 1-11) which was proposed according to Hansch-Fujita equation based on the concept of biological Hammett equation.
정량적인 구조-활성상관(QSAR) 기법에 의한 새로운 농약의 개발 -IV. 국내의 연구 동향과 전망-
성낙도,Sung, Nack-Do 한국응용생명화학회 2003 한국농화학회지 Vol.46 No.3
Biological Hammett Equation에 기초하여 Hansch-Fujita식으로 제안된 정량적인 구조 활성상관(QSAR) 기법 (Sung, Nack-Do (2002) Development of new agrochemicals by quantitative structure-activity relationship (QSAR) methodology. Kor. J. Pestic. Sci. 6: 166-174, 231-243 및 7: 1-11)에 따른 새로운 농약의 탐색과 개발에 관련하여 1990년도를 전후한 국내에서 이루어진 QSAR 기법중 주로 2D QSAR기법의 활용연구 현황에 대하여 조명하였다. It was reviewed for the status of domestic research before and after 1990's for search of a new pesticides using 2D QSAR of quantitative structure-activity relationship (QSAR) methodologies (Sung, Nack-Do (2002) Development of new agrochemicals by quantitative structure-activity relationship (QSAR) methodology. Kor J. Pestic. Sci. 6, 166-174, 231-243 & 7, 1-11) which was proposed according to Hansch-Fujita equation based on the concept of biological Hammett equation.
成洛道,權寄星 圓光大學校 基礎自然科學硏究所 1982 基礎科學硏究誌 Vol.1 No.1
The rate constants for the hydrolysis of cinnamonitrile at pH 0.0~7.0 range are determined by UV spectrophotometry in 50% methanol at 25℃. Analysis of rate equation and the general base catalysis, in the hydrolysis of cinnamonitrile therefore it appears probable that the attack by a nucleophile, water molecule occurs at the increased positive charge α-carbone atom and the αC-βC bond scission follow subsequently in acidic and neutral media. Conformation of (E)-cinnamonitrile have been studied by MO theoretically using extended Hu¨ckel theory(EHT) and CNDO/2 molecular orbital calculation methods. The results show that the most preferable conformation of the phenyl ring rotamer is the coplaner forms with regard to the C_7(α)=C_8(β)plane.
새로운 抗菌劑로서 1-(phenoxymethyl)benzotriazole 誘導體의 合成과 定量的 構造活性關係(QSAR) 分析
成洛道,林治煥,崔宇永,高東成,權奇星 충남대학교부설 생명공학연구소 1992 생물공학연구지 Vol.2 No.-
14종의 새로 합성된 1-(phenoxymethyl)benzotriazole(Ⅰ)(Y=0)과 1-(thiophenoxymethyl)benzotriazole (Ⅱ)(Y=S) 및 1-(azidomethy) benzotriazole(Ⅲ) 유도체의 구조와 in vitro에서 Pyricularia oryzae, Fusarium oxysporum f. sp. sesami, Valsa ceratosperma 및 Botrytis cinerea에 대한 균사 생장을 50% 저해하는 활성(pI_50)사이의 구조-항균활성 상관관계들을 QSAR방법으로 연구하였다. (Ⅰ)의 항균활성은 (Ⅱ)와 (Ⅲ)보다 우세하였으며 phenoxy group(Ⅰ)의 치환기 효과는 수소 결합성 (HB)과 포물선 관계의 electronic effect(σ), steric effect(B_1) 그리고 hydrophobic effect(π)로 설명된다. P. oryzae와 F. axysporum f. sp. sesami의 항균 활성에 대한 치환기의 적정값은 B_1=1.40A, (H)와 σ=0.07∼0.15, (H)이고 V. ceratosperma와 B. cinerea에 대하여는 각각 σ=0.23∼0.28, (C1)과 π=0.70, (C1)이었으며 가장 효과적인 화합물인 (Ia)와 (Id)의 구조-활성관계가 검토되었다 (1990년 5월 11일 접수, 1990년 9월 20일 수리). The structure-antifungal activity correlations between the structure of fourteen new 1-(phenoxymethyl)benzotriazoles (Ⅰ) (Y=0), 1-(thiophenoxymethyl)benzotriazoles (Ⅱ) (Y=S) and 1-(azidomethy)benzotriazole (Ⅲ) derivatives were synthesized, and their activity, fifty percent inhibition of mycelial growth(pI_50), in vitro against Pyricularia oryzae, Fusarium oxysporum f. sp sesami, Valsa ceratosperma and Botrytis cinerea were investigated using a generalized QSAR method. The activity of (Ⅰ) was superior to those of (Ⅱ) and (Ⅲ). The effect of the substituents (Ⅹ) on the phenoxy group (Ⅰ) was rationalized by a parabolic function of electronic (σ), steric (B_1) and hydrophobic parameter(π), and hydrogen bonding (HB). Where the optimal values of substituent on the fungicidal activity againt P. oryzae and F. axysporum f. sp. sesami are B_1=1.40A ; (H) and σ=0.07∼0.15;(H), and those of substituent on the fungicidal activity against V. ceratosperma and B. cinerea are σ=0.23∼0.28; (Cl), π=0.70; (C1), respectively. The most effective compound (Ⅰa) and (Ⅰd) were examined in this study.
殺蟲性 O,O-Diethylphenylphospate 誘導體들에 依한 Acetylcholinesterase의 Phosphorylation에 미치는 自由에너지 關係
成洛道 충남대학교 농업과학연구소 1984 農業技術硏究報告 Vol.11 No.1
Linear free energy relationship(LFER) on the insecticidal activity of O, O-diethylphenylphosphate (A) and 3, 5-dimethylphenyl-O, O-diethylphosphate(B) derivatives were studied by EHT MO calculation method and regression analysis method. LFER between varying substituent constants and pI_50 constants of phosphates, (A) & (B) were calculated with applying Hammett, Okamoto-Brown, Taft and Swain-Lupton's DSP equations; percent resonance effect(R) and field effect(F) of (A) were %R=33.5 & %F=66.5 and also that of (B) were %R=2 & %F=98, respectively. On the basis of above findings, the insecticidal activities were similar for both (A) and (B), but (B) have larger field and inductive contribution than (A), due to the 3.5-dimethyl group of (B).
성낙도,박창식,장석찬,최경섭 충남대학교 형질전환복제돼지연구센터 2007 논문집 Vol. No.10
돼지 페르몬성 분자를 탐색하기 위하여 일련의 green odorant로서 기질 분자인 2-(cyclohexyloxy)tetrahydrofurane 유도체들의 정량적인 구조와 수용체인 porcine odorant binding protein (pOBP) 사이의 결합 친화력 상수(p(Od)_(50))에 대한 비교 분자 유사성 지수 분석(CoMSLA)을 실행하였다. 가장 양호한 CoMSLA 모델(I-AI)은 기질 분자내 입체 중심의 절대 배열이 I:C₁(R),C₂(S)인 분자를 atom based fit 정렬하였을 경우의 입체장 조건에서 유도되었으며 PLS 분석 결과, 예측성이 r²_(cv.)(q²)=0.856 그리고 적합성이 r²_(ncv.)=0.964이었다. 모델의 CoMSIA 등고도 상, pOBP와 냄새 분자 사이의 상호작용으로부터 가장 높은 결합 친화력을 나타내는 분자의 구조적 특징들을 이해할 수 있었다. To search of a new porcine pheromonal odorants, the comparative molecular similarity indices analysis (CoMSIA) between porcine odorant binding protein (pOBP) as receptor and ligands of green odorants 2-(cyclohexyloxy)tetra-hydrofurane derivatives as substrate molecule were conducted and disscused quantitatively. In the optimized. CoMSIA model (I-AI) with chirality (I: C₁(R), C₂(S)) in substrate molecules and atom based fit alignment (AF) of the odorants, the statistical PLS results showed the best predictability of the binding affinities based on the LOO cross-validated value r²_(cv.) (q²=0.856) and non cross-validated conventional coefficient (r²_(ncv.)= 0.964). The structural distinctions of the highest active molecules were able to understand from the interaction between poBP and green odorants in the contour maps with CoMSIA model.
成洛道,明平根,朴勝熙,金日光 圓光大學校 基礎自然科學硏究所 1987 基礎科學硏究誌 Vol.6 No.3
The electrochemical reduction of sumithion in various surfactants, NaLS, CTABr, Trition X-100 and in acetonitrile solution has been examined by DC, DP polarography and cyclic voltammetry(CV). Especially, in anionic surfactant, NaLS solution, the height of reduction wave is dramatic eliminated and half-vale potentials are shifted to strong negative potential (-2.7 volt vs. Ag-AgCl) by repulsion of nitro group in sumithion and anionic micell surfaces. the processes of reduction of sumithion were irreversibly electrochemical mechanism and the result of the reaction at high cathodic potential (-2.7 volt vs. Ag-Agl) by repulsion of nitro group in sumithion and anionic micell surfaces. The processes of reduction of sumithion were irreversibly electrochemical mechanism and the result of the reaction at high cathodic potential (-2.7 volt vs. Ag-AgC1), O,O-dimethy1-O-(3-methylhydoxyaminophenyl) phosphorothioate is formed as major product via O,O-dimethyl-O-(3-methylhydoxyaminophenyl) phosphorothioate in NaLS micell solution.
N-(p-nitrophenyl)-p-chlorobenzohydrazonyl bromide에 對한 Hydrogen azid의 親核性 置換反應메카니즘과 그의 速度論的 硏究
成洛道,權奇星 圓光大學校 1979 論文集 Vol.13 No.2
The nucleophilic substitution of N-(p-nitrophenyl)-p-chlorobenzohydraonyl bromide(NHB) with hydrogen azid have been investigated by ultra-violet spectrophotometry in 50% dioxane-water mixed solvent at 28℃. The initial product of reaction was found to be the correspeonding hydrazonyl azid. Analysis of the solvent effect, the general base catalysis and the rate equation which can be applied over wide pH range suggests that the bimolecular subsitution proceed throught the SN₂mechanism above pH 6.50 and nucleophilic addtion elimination below pH 5.0. These two reactions occur competitively in the range of pH from 5.0 to 6.50.
Azomethine 탄소원자의 친핵성 치환반응 (제 1 보) 물-디옥산 혼합용매중 Aryl N-Aroylchloroformimidate 유도체의 가용매 분해반응
성낙도,권기성,박문규 圓光大學校 1981 論文集 Vol.15 No.1
Kinetic studies on solvolsis reactions of aryl N-aroylchloroformimidate derivatives in 1.4-dioxane-water mixture have been carried out by means of ultra-violet spectrophotometry at 20℃. Results of m values of Grunwald-Weinstein plots(m=0.4~0.8), substituent effect(ρ=0.15), and n values of Kivinen plots(n=0.7~1.2), show that the solvolysis displacement of aryl N-aroylchloroformimidate derivatives proceed via SN₂ mechanism.