• Applied Biological Chemistry
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• v.50 no.3
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• pp.187-191
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• 2007

Comparative molecular similarity indice analysis (CoMSIA) models on the fungicidal activities of N-phenyl substituents (X) in N-phenyl-O-phenylthionocarbamate derivatives against rice sheath blight (Rhizoctonia solani: RS) and phytophthora blight (Phytophthora capsici: PC) were derived. Also, the characterizations of H-bonds between substrates and ${\beta}-tubulin$ were discussed quantitatively. It was revealed that, from the contour maps of CoMSIA models, the H-bond acceptor field contributed the most highly to fungicidal activity for two fungi in common. It is predicted that the selectivity in the fungicidal activity between two fungi is caused by results from the roles of H-bond donor disfavor functional groups in RS and H-bond acceptor disfavor functional groups in PC when these two groups induced at meta- and para-position on the N-phenyl ring. And also, if the substituents (X) are steric disfavor group, negative charge favor groups are introduced at the metaposition in RS and H-bond acceptor group is introduced at the para-position in PC, the antifungal activity against two fungi will be likely able to be increased.

• The Korean Journal of Pesticide Science
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• v.6 no.2
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• pp.72-79
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• 2002

3D-QSAR between fungicidal activitives ($pI_{50}$) against metalaxyl-sensitive (SPC: 95CC7105) or metalaxyl-resisitant (RPC: 95CC7303) isolate of phytophthora blight fungus (Phytophthora capsici), and a set of 3-phenylisoxazole (A) and 3-phenyl-2,5-dihydroisoxazole (B) derivatives as substrates were conducted using comparative molecular field analyses (CoMFA). The antifungal activities of (A) were generally higher than those of (B). And it is assumed that the most stable conformation of the active substrate was approximately planar from conformational search. The CoMFA models proved a good predictive ability and suggested that the electronic field of substrates were higher than hydropohobic field and steric field requirements for recognition forces of the receptor site. And the factors were strongly correlated (cross-validated $q^2>0.570$ & conventional $r^2>0.968$) with the fungicidal activitives. According to the CoMFA analyses, the selectivity factors for RPC suggested that the sterically bulky groups (C14 & C15) and electron withdrawing groups (C15 & C16) have to be introduced to the ortho, meta and para-position on the benzoyl moiety of substrates.

• The Korean Journal of Pesticide Science
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• v.10 no.1
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• pp.7-14
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• 2006

Three-dimensional quantitative structure-activity relationships (3D-QSARs) on the herbicidal activities against in-vitro pre-emergence rice plant (Oryza sativa L.) and barnyard grass (Echinochloa crus-galli) by new 5-benzofuryl-2-[1-(alkoxyimino)alkyl]-3-hydroxycyclohex-2-en-1-one derivatives were studied quantitatively using comparative molecular similarity indices analysis (CoMSIA) methodology. The optimized CoMSIA model(A5: $r^2_{cv.}=0.569$ & $r^2_{ncv.}=0.941$) for rice plant exhibited a good correlation with steric (31.6%) and hydrophobic (39.7%) factors of the substrate molecules, and the model (B4: $r^2_{cv.}=0.569$ & $r^2_{ncv.}=0.941$) for barnyardgrass exhibited a good correlation with electrostatic (46.7%) and H-bond acceptor field (30.8%), respectively. The predicted $R_1=SF_5,\;R_2=R_3=R_4=H(P1)$ substituent (Rice plant: $pI_{50}=4.84$ & Barnyardgrass: $pI_{50}=7.21$, ${\Delta}pI_{50}=2.37$) by the model (B4) not only exhibited to the highest herbicidal activity against barnyardgrass, but also exhibited to the highest selecticity between two plants.

• Journal of the Korean Chemical Society
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• v.39 no.9
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• pp.715-721
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• 1995

Reaction between trans-$[Co(py)_4/Ci_2]^+(py=pyridine)$ and L-proline and diimine (=2,2'-bipyridine, 1,10-phenanthroline) gives two products, $[Co(L-pro)_2/(bipy)]^+$ and $[Co(L-pro)_2(phen)]^+$ complexes, respectively. On column chromatography, $[Co(L-pro)_2(bipy)]^+$ was obtained only as $Lambda$-trans(N) and $[Co(L-pro)_2(phen)]^+$ was obtained both as ${\Delta}$-trans(N) and $Lambda$-cis(O)cis(N) due to the stereoselectivity of L-prolinato which was stereospecific. Crystal data are as follows: $Lambda$-trans(N)-$[Co(L-pro)_2(bipy)]CIO_4{\cdot}2H_2O$ (1): monoclinic, space group $P2_1(#4)$, a=9.807(3), b=10.421(1), c=12.778(2) ${\AA}$, ${\beta}=109.90(2)^{\circ}$, V=1227.8(5) ${\AA}^3$, Z=2; 1571 data with I > 3.0${\sigma}$(I) were refined to R=0.060, $R_W = 0.067$; ${\Delta}$-trans(N)-$[Co(L-pro)_2(phen)]Cl{\cdot}_3H_2O$(2): monoclinic, space group $P2_1(#4)$, a=9.838(2), b=12.892(2), c=10.747(2)${\AA}$, ${\beta}=113.79(2)^{\circ}$, V=1247.2(4) ${\AA}^3$, Z=2; 2433 data with I > 3.0${\sigma}$(I) were refined to R=0.043, $R_W = 0.050$.

• Applied Biological Chemistry
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• v.39 no.2
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• pp.140-146
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• 1996

Imidacloprid and a series of the related compounds were synthesized, and influence of 3-N substituents(R) on the insecticidal activities against Brown plant hopper(Nilaparvata lugens) and Green peach aphid(Myzus persicae) were examined quantitatively from the structure-activities relationships(Shh) techniques. The results indicated that the molecular hydrophobicity$({\pi})$ and inductive substituent constant$({\sigma}^{\ast})$ of substituents(R) at 3-nitrogen position on the imidazolidine ring were important factors. Variations in the potency were parabolically related to the both constants. In case of Brown plant hopper, optimum value of ${\pi}$ constant was 0.52, whereas the value of ${\sigma}^{\ast}$ constant against Green peach aphid was 1.17, respectively. Among them, the strong electron withdrawing groups$({\sigma}^{\ast}>0)$ such as methyl and benzenesulfonyl group(7 & 8) showed lower insecticidal activity and non-substituted, 1(imidacloprid) showed the best insecticidal activity. It seems that the intramolecular associated(H-bond) form between 2-N-nitro group and 3-imid group may contribute to the higher insecticidal activity to the both sucking insects. And in aqueous solution, 1 showed higher residual activity below pH 6.0, and the half-life$(T_{1/2})$ was about 6 month at pH 7.0 $(ca.\;k_{obs.}:5{\times}10^{-8}sec.^{-1})$ and $45^{\circ}C$.

• The Korean Journal of Pesticide Science
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• v.4 no.3
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• pp.34-39
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• 2000

A new fifteen 2,3-dihydro-2-ethyl-2,4,6,7-tetramethylbenzofuran-5-yl substituents in 5-benzofuryl-2-[1-(alkoxyimino)alkyl]-3-hydroxycyclohex-2-en-1-one derivatives as substrate were synthesized and their herbicidal activities against rice plant (Oryza sativa L.) and barnyard grass (Echinochloa crus-galli) with post emergence were measured under submerged conditions. The $R_{1}$=methyl substituents, $1{\sim}8$ showed the higher herbicidal activity to the rice plant and barnyard grass. The structure-activity relationships (SARs) on tile herbicidal activity of $R_{1}$ and $OR_{2}$ groups on the azomethine bond in substrates were analysized. From tile results of dicussed SAR, the herbicide activities against rice plant would depend largely on the steric factor, Whereas, in case of barnyard grass, the activities were governed by the hydrophobicity factor. The conditions of selective herbicide activity between the two plant species are assumed that the substrates should nave optimal hydrophobicity ( $(logP)_{opt.}=6.0$), a $R_{1}$ groups of small and a long $OR_{2}$ groups.

• The Korean Journal of Pesticide Science
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• v.8 no.3
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• pp.151-161
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• 2004

Three dimensional quantitative structure-activity relationships (3D-QSAR) studies for the protox inhibition activities against root and shoot of rice plant (Orysa sativa L.) and barnyardgrass (Echinochloa crus-galli) by a series of new A=3,4,5,6-tetrahydrophthalimino, B=3-chloro-4,5,6,7-tetrahydro-2H-indazolyl and C=3,4-dimethylmaleimino group, and R-group substituted on the phenyl ring in 1-(5-methyl-3-phenylisoxazolin-5-yl)methoxy-2chloro-4-fluorobenzene derivatives were performed using comparative molecular field analyses (CoMFA) methodology with Gasteiger-Huckel charge. Four CoMFA models for the protox inhibition activities against root and shoot of the two plants were generated using 46 molecules as training set and the predictive ability of the each models was evaluated against a test set of 8 molecules. And the statistical results of these models with combination (SIH) of standard field, indicator field and H-bond field showed the best predictability of the protox inhibition activities based on the cross-validated value $r^2_{cv.}$ $(q^2=0.635\sim0.924)$, conventional coefficient $(r^2_{ncv.}=0.928\sim0.977)$ and PRESS value $(0.091\sim0.156)$, respectively. The activities exhibited a strong correlation with steric $(74.3\sim87.4%)$, electrostatic $(10.10\sim18.5%)$ and hydrophobic $(1.10\sim8.30%)$ factors of the molecules. The steric feature of molecule may be an important factor for the activities. We founded that an novel selective and higher protox inhibitors between the two plants may be designed by modification of X-subsitutents for barnyardgrass based upon the results obtained from CoMFA analyses.

• The Korean Journal of Pesticide Science
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• v.7 no.2
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• pp.75-82
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• 2003

We discuss that the growth inhibition activities against root and shoot of rice plant (Oryza sativa L.) and barnyard grass (Echinochloa crus-galli) by N-phenyl-3,4,5,6-tetrahydrophthalimide (A) and N-phenyl-3,4-dimethylmaleimide (B) derivatives with changing substituents can be explained and predicted using comparative molecular field analyses (CoMPA) method. And the results show that the cross-validation value, $q^2$ at three components and Pearson correlation coefficient, $r^2$ were rice plant: shoot; $r^2=0.987$, $q^2=0.387$ & root; $r^2=0.923$, $q^2=0.307$ and barnyard grass: shoot; $r^2=0.902$, $q^2=0.535$ & root; $r^2=0.900$, $q^2=0.450$, respectively. In addition, The activities of unknown compounds were predicted by CoMFA method. From the contour map of (A) derivatives, the selective factors to remove barnyard grass takes positive charge on the benzylic carbon atom (C27), negative charged carbon atom (C29) of meta position and steric bulky groups on the cyclic imino ring (C7-C8).

• Journal of Life Science
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• v.28 no.1
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• pp.78-82
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• 2018

Detection of pathogenic microorganisms takes several days by conventional methods. It is necessary to assess microorganisms in a timely manner to reduce the risk of spreading infection. For this purpose, bacteriophages are chosen for use as a biosensing tool due to their host specificity, wide abundance, and safety. However, their lytic cycle limits their efficacy as biosensors. Phage proteins involved in binding to bacteria could be a robust alternative in resolving this drawback. Here, a fragment of tail protein J (residues 784 to 1,132) of phage lambda fused with 6X His-tag (6HN-J) at its N-terminus was cloned, overexpressed, purified, and characterized for its binding with microorganisms. The purified protein demonstrated a size of about 38 kDa in sodium dodecyl sulfate - polyacrylamide gel electrophoresis (SDS-PAGE) and bound with anti-His monoclonal antibodies. It bound specifically to Escherichia coli K-12, and not Salmonella typhimurium, Bacillus subtilis, or Pseudomonas aeruginosa in dot blotting. Binding of the protein to E. coli K-12 inhibited about 50% of the in vivo adsorption of the phage lambda to host cells at a concentration of $1{\mu}g/ml$ 6HN-J protein and almost 100% at $25{\mu}g/ml$ 6HN-J. The results suggest that a fusion viral protein could be utilized as a biosensing element (e.g., protein chips) for detecting microorganisms in real time.

• Cartoon and Animation Studies
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• s.32
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• pp.1-21
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• 2013

Silhouette Animation has been recognized as a genre of animation since the very beginning of the animation history, and also Its segmental movement and Aesthetic expression has led a variety of semantic interpretations. Especially the French animation director, Michel Ocelot, recently integrated 3-dimensional digital to the silhouettes animation, and it extended the possibility of the silhouettes animation in many aspects. In his latest animation feature, , he showed how he made changes in 3-dimension by creating and evolving his own way and style of silhouette animation. Although mainstream digital animations preferably to show realistic images and motion, Michel Ocelot used very selective movement, subjective digital colors and extended space which couldn't be expressed in the way of creating traditional style of silhouette animation. This alternative slow movement and the unique aesthetics in 3-dimension emphasize the unconscious elements of color, composition, patterns, and it provides digitally enhanced images and pictorial impression. In addition, the acquisition of digital three-dimensional use of space made possible to provides the wider formative imagination to the audience. In this paper, we analyzed aesthetic characteristics of the digital silhouette animation, (2011), specially focusing on the aspects of Movement, Image, Space, which could not be found in the traditional silhouette animation. It is significant to obtain diversity of the future digital animation and its positive development. In addition, this provides opportunity to explore Michel Ocelot's new experiments and animation philosophy.