• 농약과학회지
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• 제4권3호
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• pp.34-39
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• 2000

15종의 새로운 5-benzofuryl-2-[1-(alkoxyimino)alkyl]-3-hydroxycyclohex-2-en-1-one 유도체 중, 2,3-dihydro-2-ethyl-2,4,6,7-tetramethylbenzofuran-5-yl 치환체들을 합성하고 벼 (Oryza sativa L.) 씨앗과 3엽기 그리고 발아 후, 물피 (Echinochloa crus-galli)에 대한 제초활성을 측정한 바, 전체적으로 $R_{1}$=ethyl 치환체, $1{\sim}8$이 비교적 큰 제초활성을 나타내었다. Azomethine 결합의 N 원자상 alkoxy-치환체 ($OR_{2}$)가 변화함에 따른 구조와 제초활성과의 관계 (SAR)를 정량적으로 검토하였다. 그 결과, 벼는 입체효과에 그리고 물피는 소수성에 의존적이었다. 두 초종간 선택성의 조건은 적정값의 소수성, $(logP)_{opt.}=6.0$을 가지며 분자의 길이 (L)에 관여하는 $R_{2}$의 길이는 길고 폭 (B)에 관여하는 $R_{1}$은 작아야 할 것으로 설명되었다.

• Journal of Microbiology and Biotechnology
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• 제16권6호
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• pp.965-968
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• 2006

Exogenous S-adenosyl-L-methionine (AdoMet) enhances the production of actinorhodin in Streptomyces coelicolor. Thirty compounds related structurally with AdoMet were tested for their actinorhodin production. The relationships between the structures of the compounds tested and their actinorhodin production were analyzed using computational methods, and the molecules containing both bulky substituents at the C6 position of adenine and the long 5'-alkyl chain of adenosine were predicted to show high actinorhodin production.

• 가정과삶의질연구
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• 제14권1호
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• pp.35-46
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• 1996

This study was designed to investigate causal relationships among related variables that determined psychological distress of aged mothers. In this study questionaires were used to measure and subjects were 244 mothers aged over 60 and lived in K city. 221 answers were analyzed by SAS and covarince structure analysis. The results were as follows: it was found that pocketmoney and health had direct effects on objective solidarity education level pocketmoney and activity on subjective solidarity marital status and health on psychological distress between exogenous variables and endogenous variables. Among endogenous variables objective solidarity had direct effects on subjective solidarity and self-esteem subjective solidarity on self-esteem and self-esteem on psychological distress respectively. Subjective solidarity was found to be most effectable variable on psychological distress.

• Bulletin of the Korean Chemical Society
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• 제31권11호
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• pp.3341-3347
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• 2010

A series of oxazolidinone-based strobilurin analogues were efficiently synthesized by the reaction of 3-(2-bromomethylphenyl) oxazolidin-2-one with 1-substituted phenyl-2H-pyrazolin-3-one. Their structures were confirmed and characterized by $^1H$-NMR, $^{13}C$-NMR, elemental analysis, and mass spectroscopy. In addition, the crystal structure of the target compound 3-(2-((1-phenyl-2H-pyrazol-3-yloxy)methyl)phenyl) oxazolidin-2-one was determined by single crystal X-ray diffraction. The bioassay results of these compounds indicated that some of the oxazolidin-2-one derivatives containing N-substituted phenyl 2H-pyrazol ring exhibited potential in vivo fungicidal activities against M. grisea at the dosage of $1\;g\;L^{-1}$.

• 농약과학회지
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• 제11권3호
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• pp.138-143
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• 2007

감수성(SBC) 및 저항성(RBC) 잿빛곰팡이병균(Botrytis cinerea)에 대한 N-phenyl-O-phenylthionocarbamate 유도체들의 선택적인 살균활성에 대한 3차원적인 구조와 활성과의 관계(3D-QSAR)를 CoMFA와 CoMSIA 방법으로 검토하였다 그 결과, 통계적으로 CoMFA 모델(M5)보다 CoMSIA 모델(M7)이 양호하였으며 살균활성의 선택성에 미치는 요소는 CoMSIA 모델(M7)의 정전기장에 의존적이었다. 그러므로 CoMSIA 모델(M7)의 등고도로부터 N-phenyl 고리의 meta-위치에 음하전을 띄는 수소결합 주게에 의하여 선택성이 개선될 것으로 예상되었다.

• 농약과학회지
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• 제5권4호
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• pp.20-26
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• 2001

기질 물질로서 일련의3-phenyl-2,5-dihyoisoxazol-5-one(A) 및3-phenylisoxazole(B)유도체는 친핵성 첨가-제거반응($Ad_{N-E}$)으로 (A)가 (B)보다 높은 수율로 합성되었으며 정량적인 구조와 저항성(PRC) 및 감수성(SPC) 고추역병균(Phytophthora capsici)에 대한 살균 활성과의 관계(QSAR)를 검토하였다. 두 균주에 대한 살균활성은 공통적으로 benzoyl고리에 결합된 치환기의 폭인 $B_2$ 상수의 적정값(약$4.0{\AA}$)에 의존적(RPC: $(B_2)_{opt.}=3.74{\AA}$ 및 SPC: $(B_2)_{opt.}=3.99{\AA}$)이었으며 치환기가 RPC에는 전자끌게로 작용한 반면에 SPC에는 전자 끌게로 작용하지 않았다. Free-Wilson 분석결과, RPC 및 SPC, 두 균주에 대한 살균활성은 (A)가 (B)보다 컸으며 할로겐과 acetyl-치환체가 기여하였고, RPC에는 cyano, methoxy 및 methyl-치환체 등이 선택적으로 기여하였다.

• Applied Biological Chemistry
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• 제40권5호
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• pp.447-450
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• 1997

18 종의 N-치환 phenyl 1,3,5-trimethylpyrazole-4-carboxamide 를 합성하여 벼 잎집무늬 마름병균 Rhizoctonia solani $K{\ddot{u}}hn$ 에 대한 균사생육억제력 $(pEC_{50})$ 과 이 균에서 분리한 succinate dehydrogenase (SDH)의 효소활성 저해력 $(pI_{50})$ 을 측정하였다. 구조-활성 상관연구를 통해 균사생육억제력이 SDH 효소저해력과 소수성인자인 chromatographic capacity factor $(\acute{k})$ 에 의해 79%까지 유의성 있게 해석되었으며 이는 합성한 화합물의 주작용점이 SDH 이고 생체내에서 작용점까지 도달하는데 필요한 소수성성질이 살균력의 발현에 중요한 인자임을 보여준다.

• 약학회지
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• 제34권5호
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• pp.348-364
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• 1990

The activities of twenty-one flavonoids and their related compounds on the hypersensitivity reaction against various antigens were studied in vitro and in vivo. 1. Generally flavonoids inhibited significantly the homologous passive cutaneous anaphylaxis (PCA) induced by reaginic antibody as compared as anaphylaxis by compound 48/80-induced mast cell degranulation, and so more strongly active in the IgE-mediated anaphylaxis than non-IgE-mediated anaphylaxis. 2. Flavonids inhibited remarkably Arths reaction, hemolysin titer, delayed hypersensitivity, haemagglutinin titer, rosette forming cells and plague forming cells against sheep red blood cells, and so it exhibited that flavonoids inhibited type 2, 3 and 4 hypersensitivity. 3. Quercetin, kaempferol, hesperetin, disodium cromoglycate, malvin and baicalein were active dose-dependently in the all types of hypersensitivity. Fisetin, daidzein, morin, narigin, flavone, catechin, rutin, hesperidin, neophsperidin, apigenin and chrysin were significantly active in the various types of hypersensitivity, but apigenin, rutin and catechin were less active in the delayed hypersensitivity. Taxifolin was significantly active in PCA and histamine-induced anaphylaxis except other types of hypersensitivity. Rotenone and cyanin also inhibited all types of hypersensitivity, but they are toxic. 4. Based on these results from hypersensitivity, the following flavonoid structure-activity relationships became apparent. 1) Flavonoids with $C_{2-3}$ double bond in C-ring were more active than that of $C_{2-3}$ saturation. 2) Flavonoids with $C_4$ ketone group in C-ring were more active than abscence of them except catechin and malvin. 3) Flavonoids with benzene ring at positions 2 or 3 in C-ring exhibited same activities. 4) Flavonoids with opening of the C-ring does not abolish their activities. 5) The glycosylated flavonoids in position 3 or 7 was less active than their aglycone. 6) Flavonoids with the more hydroxy group in A and B-ring were more active. 7) Flavonoids with or without $C_3-OH$ did not change their activities.

• 대한토목학회논문집
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• 제11권3호
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• pp.11-18
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• 1991

휘발성 유기물질(VOC)은 많은 경로를 통해 발생되는데, 독성이 있을뿐 아니라 발암물질을 포함하고 있으므로, 이들 물질 제거는 매우 중요하다. 본 연구에서는 휘발성 유기물질 처리를 위해 활성탄을 사용할 경우 처리와 설계를 위해 흡착능력의 연구가 반드시 필요하다. 그러므로, 본 연구에서는 사용할 화합물에 대한 가스 상태의 등온흡착선을 물리적 특성과 액화상태의 등온흡착선으로 부터 예측하였다. 이를 위해 이용된 방법이 quantitative structure-activity relationships(QSAR) 방법이다. 가스 상태의 등온흡착선을 분자연결제수($^2{\chi}$)와 헨리의 계수, 또는 용해도와 가스 상태의 평형농도에 의해서 예측 할 수 있었다. 연구결과, Freundlich 모델을 근거로한 가스 상태의 등온흡착선은 ${\log}\;a_g=0.238\;^2{\chi}+0.573\;{\log}\;H_a+4.330(r^2=0.94)$ 이었다. 결과적으로, 저흡착능력 범위에서 Freundlich 이론을 근거로한 이 방법은 시간소비적 실험을 통하지 않고도 가스 상태의 등온흡착선을 예측할 수 있다는 것을 제시하고 있다.

• Bulletin of the Korean Chemical Society
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• 제30권11호
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• pp.2749-2753
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• 2009

Structural characteristics that influence on the insecticidal activity ($pI_{50}$) of 2-(n-octyl)isothiourea analogues (1-45) against the diamondback moth (Plutella xylostella, L.) based on three dimensional quantitative structure activity relationships (3D-QSARs) were discussed quantitatively using a comparative molecular field analysis (CoMFA) and a comparative molecular similarity indeces analysis (CoMSIA) methods. The statistical values of the CoMFA 2 model were better than those of the CoMSIA 1 model. The CoMFA 2 model was the optimized model with the correlativity (the training set: Ave. = 0.104 & PRESS = 0.613) and the predictability (the test set: Ave. = 0.086 & PRESS = 0.096). Insecticidal activities with the optimized CoMFA 2 model were dependent upon steric factors (79.4%) of $R_1-R_3$ substituents. From the analytical results of CoMFA contour maps, it is predicted that the R1 substituent of 1-45 which has a steric favor in a broad space, $R_2\;and\;R_3$ groups with a steric favor in a narrow space and a H-bond donor favor would have better the insecticidal activity.