• The Korean Journal of Pesticide Science
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• v.6 no.3
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• pp.209-217
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• 2002

Two different QSAR methods, the comparative molecular similarity indices analyses (CoMSIA) and hologram quantitative structure activity relationship (HQSAR) are studied for the fungicidal activities ($pI_{50}$) of 2-N-benzyl-5-phenoxy-3-isothiazolone derivatives against sensitive (SPC: 95CC7105) and resisitive (RPC: 95CC7303) phytophthora blight fungus (Phytaphthora capsici). According to the findings from these QSAR investigation, the cross-validation value, $q^2$ and Pearson correlation coefficient, $r^2$ in the two methods were CoMSIA: RPC; $q^2=0.675,\;r^2=0.942$, SPC; $q^2=0.350,\;r^2=0.876$ and HQSAR: RPC; $q^2=0.519,\;r^2=0.869$, SPC; $q^2=0.483,\;r^2=0.990$, respectively. Therefore, the two models of comparative statistical significance were obtained. From the CoMSIA contour maps, the important factors for selective fungicidal activity against RPC are to be expected that the lower hydrophobic and not bulkiness substituent as hydrogen bonding acceptor have to introduce to meta and para-position (C1-C6) on the phenoxy moiety. And the results of prediction suggest that HQSAR method showed higher fungicidal activity than CoMSIA method.

• 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.

• Applied Biological Chemistry
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• v.39 no.3
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• pp.235-240
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• 1996

The most stable stereo conformer in non substituted benzenesulfonyl urea, 1 was the II-keto form, which the molecule was intramolecular associated(H-bond) coformer between imide group and N atom on the Pyrimidine ring. The hydrolytic degradation of 2 derivatives were proceeds by nucleophilic addition reaction(p<0) with orbital controlled intermolecular interaction between LUMO with electron donating$(\sigma<0)$ groups of 2 and HOMO of water molecule. N-(4,6-disub. pyrimid ine-2-yl)aminocarbonyl-2-(1,1-dimethoxy-2-fluoro)ethylbenze nesulfonamides,3 and N-(4,6-disub. triazine-2-yl)aminocarbonyl-2-(1,1-d imethoxy-2-fluoro)ethylbenzenesulfonamides,4 we re synthesized and their herbicidal activities in vivo against bulrush (Scirpus juncoides.) were measured by the pot test under the paddy conditions And the structure activity relationships(SAR) were analyzed by the multiple regression technique. The results of the SAR suggested that the 3 and 4 derivatives indicated dependent on the hydrophobicity of the 4,6-disubstituents and the heterocyclo group, where the optimal value $((log\;P)_{opt.}=0.89)$ of hydrophobicity was 0.89. The pyrimidine substituents, 3 showed higher herbicidal activity than the triazine substituents, 4. Among them, 4,6-dimethoxypyrimidine substituent, 3a showed the best herbicidal activity.

• Polymer(Korea)
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• v.35 no.4
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• pp.337-341
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• 2011

To expand the viewing angle of vertical alignment liquid crystal display (VA-LCD), a wide-band compensation film has been newly developed. VA-LCD needs a retardation film with improved oblique viewing property. The retardation film for VA-LCD has been fabricated by solvent casting and subsequent drawing triacetylcellulose (TAC) containing optical additives. Here, optical birefringence and wavelength dispersion of the retardation film strongly depend on the chemical structures of optical additives. Utilizing quantum mechanical computation, the polarizing anisotropy of retardation film was calculated with respect to additives. It is also realized that the wavelength dispersion of polarizing anisotropy depends on the type and location of substituent to the selected main isomer. When two propionates are substituted to the meta position of the selected main isomer, the wavelength dispersion of polarizing anisotropy shows the most gentle slop, which is well matched with the experimental results. The most gentle slop of wavelength dispersion means that the viewing angle characteristics of LCD are less influenced according to the wavelength of light source of LCD, and it's possible to make better image quality than the present level.

• Korean Journal of Food Science and Technology
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• v.32 no.6
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• pp.1213-1220
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• 2000

The mutagenicity of the thermally oxidized soybean oils was investigated. Each oil sample was taken after 0, 8, 16, 24, 32, 40, and 48 hours of heating at a temperature of $180{\pm}3^{\circ}C$, and was used to study the changes of peroxide value(POV), acid value(AV), iodine value(IV), conjugated dienoic acid content(CDA content, %), and fatty acid composition. Another set of samples was fractionated into non-oxidized and oxidized fractions by column chromatography using silica gel. The mutagenicity of the samples taken from the thermally oxidized oils as well as the non-oxidized and oxidized fractions was investigated with the Ames test. Bacterial tester strains used in the present study were the histidine auxotrophic strains of S. typhimurium TA100, TA1535 and TA 102 for the detection of base pair, and TA98 and TA1537 for frame shift mutations. Each set of samples was dissolved in tetrahydrofuran and tested at doses ranging from 0.05 to 5 mg/plate. The oxidized fractions increased significantly the number of $His^+$ revertant colonies of TA100, TA1537 and TA102, thereby showed mutagenic activity on these strains. However none of the oil samples taken within the 48 hours oxidation period showed any mutagenic activity with and without metabolic activation.

• Journal of Applied Biological Chemistry
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• v.62 no.3
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• pp.299-304
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• 2019

Yogurt was prepared with different substitution ratio [10, 20, 30, and 50% (w/w)] of skim milk with enzymatically saccharified Korean rice wine lees powder (eKRWLP) and fermented with commercially available mixed lactic acid bacteria (Bifidobacterium longum, Lactobacillus acidophilus, Streptococcus thermophilus) at $40^{\circ}C$ for 18 h. Fermentation characteristics were evaluated in terms of acid production (pH and titratable acidity) and viable cell counts of lactic acid bacteria. The pH of yogurts decreased with increasing eKRWLP substitution ratio of skim milk. After 12 h fermentation, titratable acidities of eKRWLP substitution and control (yogurt made without eKRWLP) were 0.84~1.04% and 0.93%, respectively. The titratable acidities of yogurts prepared with 10 and 20% substitution ratio increased than that of the control yogurt, but titratable acidities of yogurts of 30 and 50% substitution ratio decreased. After 9 h fermentation, the number of viable lactic acid bacterial cell were increased to 8.18~8.24 log CFU/g in all yogurts. In sensory evaluation, there were similar preference for eKRWLP yogurts prepared with 10 and 20% substitution ratio and the control. When eKRWLP substitution and control yogurts fermented for 9 h were incubated at $4^{\circ}C$, their pHs and titratable acidities were slightly changed but the number of viable lactic acid bacteria were well maintained above $10^7CFU/g$ for 11 days in yogurts prepared with 10 and 20% substitution ratio among eKRWLP substitution yogurts. These results suggest that eKRWLP can be used as substituent of skim milk and the optimum substitution ratio is around 10~20%.

• Journal of the Korean Applied Science and Technology
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• v.38 no.3
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• pp.903-913
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• 2021

Three-type PVC membranes denoted by AEM-1, AEM-2, and AEM-3 with a cross-linked anion-exchange group were prepared by substitution reaction of PVC with triethyldiamine (TEDA), 1,4-dimethylpiperazine (DMP), and 1,4-bis(imidazol-1-ylmethyl)benzene (BIB) in cyclohexanone, respectively. We confirmed the successful preparation of the AEM-1, AEM-2, and AEM-3 via ionic conductivity (S/cm), water uptake (%), contact angle, ion-exchange capacity (m_eq/g), thermal properties, SEM and XPS analysis, respectively. The electrochemical capacitor experiments using PVC membrane with cross-linked anion-exchange group in organic electrolytes were performed. The prepared AEM-1, AEM-2 AEM-3 have a good stability by charge and discharge performance in organic electrolyte. As a result, the AEM-2 and AEM-3 membrane based on PVC prepared by the solvent casting method after substituent reaction is suitable for the use as a separator in organic electrochemical capacitor (supercapacitor).

• Journal of the Korean Chemical Society
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• v.67 no.3
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• pp.191-198
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• 2023

Acyl transfer reactions of 2,4-dinitrophenyl-5-substituted-2-furoates (1a-d) promoted by R₂NH/R₂NH₂⁺ in 20mol% DMSO(aq) have been studied kinetically. The reactions are second-order and exhibit downward curves of the Brönsted plots with pK_a⁰ = 9.5, β₁ = 0.23-0.35 and β₂ = 0.88-0.99. The k₁ values increased with a stronger nucleophile and as the electron-withdrawing ability of the 5-furyl substituent increases. In contrast, the k₂/k_-1 values were nearly idential regardless of the 5-furyl substituents. From these results, a stepwise mechanism with a change in the rate-determining step(RDS) is proposed.

• Journal of the Korean Chemical Society
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• v.29 no.5
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• pp.522-532
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• 1985

The reactions of p-nitrophenyldiphenylphosphate (p-NPDPP) with anions of benzimidazole (BI) and its 2-alkyl derivatives (R-BI) are strongly catalyzed by the micelles of cetyltrimethyl ammonium bromide (CTABr). On the other hand, the first order rate constants $(k'_{R-BI^-})$ and the second order rate constants $(k_{m(R-BI^-)})$ of the reactions mediated by R-$BI^-$in the micellar pseudophase are much smaller than those mediated by $BI^-$. In order to explain the slower rates of the micellar reactions mediated by R-$BI^-$, we compared the concentration-ratios ([R-$BI^-$]/[$BI^-$]) with the first order rate constant-ratios $(k'_{R-BI^-}/k'_{BI^-})$ and the second order constant-ratios $(k_{m(R-BI^-)}/k_{m(BI^-)})$ for the reactions taking place in the micellar pseudophase. The rate constant-ratios were much smaller than the concentration-ratios. For example in a 5 ${\times}10^{-4}$M butyl-BI solution, the two ratios were 0.089 and 0.430 (for the first order) respectively, and in a $10^{-4}$M butyl-BI solution the former was 0.100 (for the second order). This predicts that the reactivities of R-$BI^-$ in the micellar pseudophase are much smaller than that of $BI^-$. Based on the values of several kinetic parameters measured for dephosphorylation of p-NPDPP mediated by R-$BI^-$, a schemetic model is proposed. Due to the hydrophobicity and the steric effect of the alkyl substituents, these groups would penetrate into the core of the micelle for stabilization by van der Waals interaction with long cetyl groups of CTABr. Consequently, the movements of R-$BI^-$ bound to the micelle should be restricted, leading to decreased collison frequencies between the nucleophiles and p-NPDPP. We refer this as an "anchor effect". This effect became more predominent when a larger alky group in R-BI was employed and when a greater concentration of R-BI was used.

• The Korean Journal of Pesticide Science
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• v.3 no.3
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• pp.11-19
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• 1999

A some of synthesized 2-(4-(6-chloro-2-benzoxazolyloxy)phenoxy)-N-phenyl propionamide derivativesa substrates were found to selectivity significantly with both rice plant (Oryza sativa L.) and barnyard grass (Echinochloa crus-galli) for those her- bicidal activities with post emergence in up land. The selectivity of substrates against rice plant better than that of Fenoxaprop-ethyl. The structure activity relationship (SAR) n the selectivity of N-phenyl substituents were analyzed by the Free-Wilson and Hansch method. The SAR approach against barnyard grass is shown that the optimal ($({\pi})_{opt.}=1.60$) hydrophobicity and electron donating effects ($0<{\sigma}$ & 0$(ES)_{opt.}=0.87$) so that the herbicidal activity against rice plant can be decreased. The significance of these results on the selectivity between barnyard grass and rice plant is discussed. And it is assumed that the 2-ethoxy-3-methoxy-4-dimethylamino group substituent ($pI_{50}$=6.60, 1g/ha) is selected as the most highest herbicidal activity against barngard grass in green house.