정량적인 구조-활성상관(QSAR) 기법에 의한 새로운 농약의 개발 : Ⅳ. 국내의 연구 동향과 전망 Ⅳ. A Tendency of Research and Prospect in Korea

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.

Utilization of waste bittern from saltern as a source for magnesium and an absorbent for carbon dioxide capture

Na, C. K.,Park, H.,Jho, E. H. Springer 2017 Environmental Science and Pollution Research Vol. No.

<P>During solar salt production, large quantities of bittern, a liquid by-product containing high inorganic substance concentrations, are produced. The purpose of this research was to examine the utilization of waste bittern generated from salterns as a source for Mg production and as an absorbent for carbon dioxide (CO2) capture. The study was conducted in a sequential two-step process. At NaOH/Mg molar ratios of 2.70-2.75 and pH 9.5-10.0, > 99% Mg precipitation from the bittern was achieved. After washing with water, 100-120 g/L of precipitate containing 94% Mg(OH)(2) was recovered from the bittern. At the optimum NH4OH concentration of 5%, 120 g of sodium bicarbonate precipitate per liter of bittern were recovered, which was equivalent to 63 g CO2 captured per liter of bittern. These results can be used to support the use of bittern as a resource and reduce economic losses during solar salt production.</P>

급성기 중대뇌동맥부 허혈성 뇌졸중의 초기 CT 소견에 관한 연구

최낙천,이광호,정진상 대한신경과학회 1996 대한신경과학회지 Vol.14 No.4

삼성의료원에서 경험한 경동맥 내막절제술에 대한 임상 보고

최낙천,이광호,이병붕 대한신경과학회 1996 대한신경과학회지 Vol.14 No.4

생물학적 자극 통제 수단으로 활용하기 위한 돼지 페로몬성 냄새 물질의 탐색 II : Ⅳ. 2-(Cyclohexyloxy)tetrahydrofurane 유도체와 Porcine Odorant Binding Protein 사이의 결합 친화력에 관한 비교분자 유사성 지수분석 (CoMSIA)

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.

살균성, Phenylthionocarbamate 유도체들의 정량적인 구조와 독성과의 관계

성낙도,양숙영,박관용 충남대학교 농업과학연구소 2001 농업과학연구 Vol.28 No.1

아직까지 시도된 바 없는 살균성 phenylthionocarbamate 유도체들의 phenyl-치환기가 변화함에 따라 TOPKAT 계산으로 예측된 다양한 급성 및 만성 독성값에 미치는 정량적인 분자구조와 독성과의 관계 (QSTRs)를 검토한 결과는 다음과 같다. (1) 기질분자의 구조변화에 따른 독성치와 그의 판별점수 (D.S.)에 기초하여 분자 중 특정부분(FRAGMENT)이 양 (+)의 값으로 독성에 기여하는 대체적인 순서는 Aro, C=C, -O-, -NH- 및 할로겐 (X) 원자의 순이었다. (2) 대부분의 화합물들은 매우 높은 돌연변이와 발암성이 예측되었으며 특히, 치환기의 위치에 관계없이 fluoro-치환체는 B₂상수에 따른 입체효과 ((B₂)_(opt)=1.54Å)에 의하여 모두 100% 돌연변이를 발현한 반면에 trifluoromethyl-치환체는 돌연변이 발현 가능성이 전혀 없었다. (3) 가장 높은 독성 발현조건은 phenyl-치환기에 대한 소정의 적정값으로 돌연변이성에는 (B₂)_(opt)=1.54Å, 발암성에는 수컷 rat와 mouse는 (R)_(opt)=0.16 및 (π)_(opt)=0.16 그리고 rat는 경구독성은 LD_(50)(εLUMO)_(opt)=-0.52e.v, chronic LOAEL; (B₃)_(opt)=1.54Å, 어독성은 LC_(50);(log P)_(opt)=4.25 및 물벼룩에 대한 독성은 EC_(50),(σ)_(opt)=0.68를 나타내는 경우이었다. (4) 돌연변이성에는 할로겐 중 fluoro-기를 위시하여 nitro 및 methyl-기 등의 순서로 기여하였고 phenyl 고리 상, 치환기의 위치와 전자수수관계에는 대체로 무관한 경향을 나타내었다. The authors attempted to derive a comprehensive quantitative structure-toxicity relationships (QSTRs) between various physicochemical parameters of phenyl substituents in fungicidal phenylthionocarbamate derivatives and toxicity evaluated using TOPKAT calculation On the basis of this approach we made preditions for toxicity values for not yet tested substances with respect to these systems The results suggested that the optimal values. (B_(2))_(opt)=l.54_(A)(Ames mutagnicity). (R)_(opt)=0.l6 (car-cinogemcity of male rat). (π)_(opt)=0.16 (carcinogenicity of male mouse). (εLUMO)_(opt)=-0.52 ev (LD of rat oral). (B_(3)opt =l54_(A)(chronic LOAEL), (logP)_(opt) =425(LC_(50) of Fathead minnow) and (σ)_(opt)=-0.68(EC_(50) of Daphnia magna) of phenyl substituents were strongly correlated with the acute and chronic toxicities

살충성 O,O-Dimethyl-O-(3-Methyl-4-Nitrophenyl)-Phosphorothioate (Sumithion^�)의 전기화학적 환원반응에 미치는 Micell의 영향

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.

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).

纖維素 分解酵素에 關한 硏究 : 第Ⅱ報 Aspergillus 屬이 生産하는 Cellulase의 性質에 對하여 Ⅱ On the character of cellulase by Aspergillus strain

成洛癸 진주농과대학 1968 진주농과대학 연구논문집 Vol.- No.7

Aspergillus屬 18株를 分離하여 그中 Cellulose 分解力이 强한 1菌株(Asp-A15)를 選擇하여 이 菌株가 生産하는 Cellulase를 粗精製하여 基質을 分解할때 그 性質에 對한 實驗을 하여 다음과 같은 結果를 얻었다. 1) Aspergillus屬 中에서는 黑麴菌類가 比較的 酵素活性이 强하였고, 可溶性 Cellolose 分解力이 强한 것이 반드시 天然 Cellolose 分解力도 强하지 않다는 事實을 알았다. 2) 本酵素의 最適活性 pH는 3.5∼4.5이며 水素 Ion에 對한 安定度는 pH 3∼7로서 그 範圍가 넓다. 3) 本酵素의 作用最適溫度는 40∼45℃이며 70℃에서는 20分만에 約 90%가 失活되였다. 4) 金屬 Ion에 對한 影響으로서는 阻害作用이 가장 甚한것이 Hg++>Ag++>Ba++>Pb++ 等이며 Ca++ K+ Na+ 等은 活性을 Control때 보다 增加시켰다. One strain of Aspergillus, Producing Powerful cellulase(β-1.4 glucan 4 glucano hydrolase)was Scree ned from 18 strains of Aspergillus which isolated from the nature and some enzymetic characteristics were studied with crude purified state. The results obtained were as follows: 1) Of the Aspergillus, black Aspergillus had relatively high cellulase activity. A strain having high activity on the water soluble cellulase was not always coincidenced with hydrolysing activity on the natural cellulose. 2) The cellulase of last screened strain had optimum pH 3.5-4.5 and wide range of pH stability from pH 3 to pH 7. 3) Optimum temperatures of this enzyme action was 40-45℃ and the activity was decreased about 90% at 70℃ for 20 min treating. 4) This cellulase activity was inhibited by heavy metalic ions as following order ?? and activated or protected of its activity by ??