• Applied Biological Chemistry
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• v.35 no.1
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• pp.14-22
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• 1992

A series of new N-[1-(benzotriazol-1-yl)aryl]arylamine derivatives were synthesized and their antifungal activities $(pI_{50})$ in vitro against Pyricularia oryzae, Fusarium oxysporum f. sp. sesami, Valsa ceratosperma and Botrytis cinerea were dertermined by the agar medium dilution method. From the results of the quantitative structure-activity relationships $(QSAR_S)$ analysis, $hydrophobicity({\pi})$, $electronic({\Sigma\sigma})$ and molar $refractivity({\Sigma}M_R)$ parameter of X & Y-substituents on the phenyl group were also shown to be important factor in determining the variation in the antifungal activity. 4-Bromo group substituents (1d & 2b) were the most effective compounds and the $half-life(T_{1/2})$ on the hydrolysis of X(1) at netural pH was about 1.5 day. Molecular orbital(MO) functions of substrate compound, linear free energy relationships$(LFER_S)$ on the antifungal reactivity arid the results of molecular design were also discussed.

• The Journal of Korean Institute of Electromagnetic Engineering and Science
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• v.28 no.2
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• pp.120-128
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• 2017

The refraction phenomenon of radio waves should be considered to improve the detection accuracy of target altitudes for long-range surveillance radars, however, it is difficult to estimate accurate refractivity of atmosphere for every location. In this paper, we propose the atmosphere evaluation metric(AEM) to estimate atmospheric conditions at target locations using target altitudes obtained from primary surveillance radar(PSR) and secondary surveillance radar(SSR). To verify the suitability of the proposed metric, we observed atmospheric conditions and calculated estimation errors of target altitudes using measured data.

• Reproductive and Developmental Biology
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• v.28 no.1
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• pp.45-52
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• 2004

To search a new porcine pheromonal odorants, this research for biostimulation and role of pheromone was augmented by means of "control system technologies" to offer a potentially useful and practical way to improve reproductive efficiency in livestock species. Therefore the 13 physicochemical parameters such as similarity indice (S), hydrophobicity (logP) and van der Waals molecule volume (MV) etc. of 54 steroid analogues, which are analogous of substrate molecules, 5$\alpha$-androst-16-en-3-one (P1) and 5$\alpha$-androst-16-en-3-ol (P2) of lipocalin as receptor of pig pheromones were calculated and discussed. The physicochemical properties of these steroid analogues were mainly followed by steric dissimilar of A and D ring in steroid nucleus. And we found that from correlation with S values and MV constants of molecules, the more MV constants are small, the more S values tend to approach 1. Based on this results, the S-values of 4-androsten-3,17-dione (P1-1) and 5 $\alpha$ -androstan-3-one (P2-1) were 1.0, respectively. The two compounds of them were chosen because they showed the same value each other at a side of hydrophobicity, molar refractivity and molecular volume. It is expected that the new two compounds will be able to substitute for P1 and P2, porcine pheromonal odorants.

• Current Optics and Photonics
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• v.8 no.3
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• pp.230-238
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• 2024

The refractive index is a key material-design parameter, especially for high-refractive-index glasses, which are used for precision optics and devices. Increased demand for high-precision optical lenses produced by the glass-mold-press (GMP) process has spurred extensive studies of proper glass materials. B₂O₃, SiO₂, and multiple heavy-metal oxides such as Ta₂O₅, Nb₂O₅, La₂O₃, and Gd₂O₃ mostly compose the high-refractive-index glasses for GMP. However, due to many oxides including up to 10 components, it is hard to predict the refractivity solely from the composition of the glass. In this study, the refractive index of optical glasses based on the B₂O₃-La₂O₃-Ta₂O₅-SiO₂ system is predicted using machine learning (ML) and compared to experimental data. A dataset comprising up to 271 glasses with 10 components is collected and used for training. Various ML algorithms (linear-regression, Bayesian-ridge-regression, nearest-neighbor, and random-forest models) are employed to train the data. Along with composition, the polarizability and density of the glasses are also considered independent parameters to predict the refractive index. After obtaining the best-fitting model by R² value, the trained model is examined alongside the experimentally obtained refractive indices of B₂O₃-La₂O₃-Ta₂O₅-SiO₂ quaternary glasses.

• The Korean Journal of Pesticide Science
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• v.2 no.3
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• pp.45-51
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• 1998

A series of bis-aromatic ${\alpha},{\beta}$-unsaturated ketone derivatives with mesaured fungicidal activities in vivo against rice blast(Pyricularia oryzae), tomato leaf blight (Phytophtora infestans) and barley powdery mildew(Erysiphe graminis) were studied by using quantitative structure activity relationship equations. The QSAR model for the activity of phenyl substituents, $1{\sim}11$, clearly reveals three important factors, namely, resonance(R<0), optimal molecular hydrophobicity(${\pi})_{opt.}=0.38$) and optimal distance($((L_{1})_{opt.}=5.69({\AA}))$ of substituent, respectively. But in case of 2-pyridyl substituents, $12{\sim}28$, the activity were governed by optimal molecular refractivity $((M_{R})_{opt.}=8.04{\sim}39cm^{3}/mol)$, steric effect(Es<0) and LUMO energy(e.v). The fungicidal activity relationship of phenyl and 2-pyridyl substituents against Erysiphe graminis have been proportioned.

• Journal of the Korean earth science society
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• v.31 no.6
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• pp.584-599
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• 2010

The variation of atmospheric conditions including subrefraction, normal refraction, superrefraction, and ducting is an important factor that affects the quality of radar data by controling the propagation of radar beams. The occurrence frequency of the conditions is statistically analyzed using the atmospheric soundings from seven radiosonde stations in South Korea over two years. The occurrence of superrefraction and ducting at Baengnyeongdo is significantly higher than the others. Osan and Kwangju show significant variation in time. Among the different duct conditions, the surface duct is dominant at most stations except for Gosan. The elevated duct is dominant at Heuksando and Gosan. Duct is more frequent in summer than in winter at all stations. Baengnyeongdo shows the most frequent duct in spring, fall, and winter while Pohang had the highest frequency in summer. Osan and Kwangju show least duct during all seasons. The difference of variation of monthly duct occurrence between 00 UTC and 12 UTC is insignificant at all stations except for Osan and Kwangju. Kwangju, Heuksando and Gosan show relatively low frequency of duct with the monthly maximum barely reaching 60%. The highest number of elevation angles that are affected by duct was four at Osungsan radar (KSN). The maximum elevation angle is around $1.0^{\circ}$ at all stations and Jindo radar (JNI) shows the maximum value of $1.2^{\circ}$.

• The Korean Journal of Pesticide Science
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• v.2 no.2
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• pp.22-28
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• 1998

Twenty six derivatives of bis-aromatic ${\alpha},{\beta}$-unsaturated ketones as substrate(S) were synthesized and their fungicidal activities in vivo against rice blast(Pyricularia oryzae), tomato leaf blight(Phytophtora infestans) and barley powdery mildew(Erysiphe graminis) were examined. The quantitative structure-activity relationship(QSAR) between the fungicidal activities($pI_{50}$) and a physicochemical parameters of substitued($R_{2}$) phenyl backbone group in 2-thienyl and 2-furyl substituents were analyzed with regression equations. The activities of substituted($R_{2}$) phenyl backbone in 2-thienyl substituents, $1{\sim}10$ would depend largely on the resonance(R>0), molecular refractivity($M_{R}<0$) and optimal length of substituent(($L_{1})opt.=5.50{\AA}$). Whereas, in case of 2-furyl substituents, $10{\sim}26$ optimal molar attraction constant ($F_{opt}=0.49{\sim}l.11$), optimal steric($Es_{opt}=1.78$) constant and indicator variables(Io & Ip) for position of substituents. The fungicidal activity relationship of 2-thienyl substituents against Pyricularia oryzae and Phytophtora infestans have been a reciprocal proportioned.

• The Korean Journal of Pesticide Science
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• v.4 no.2
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• pp.32-36
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• 2000

A series of synthesized N-(2-fluoro-4-chloro-5-alkyloxyphenyl)-3,4-dimethyl-2-arylthio-5-oxo-2,5-dihydropyrrole derivatives as substrates were found to selectivity significantly with both rice plant (Oryza sativa L.) and weeds, barnyard grass (Echinochloa crus-galli) and bulrush (Scriptus juncoides) for those herbicidal activities at a rate of 0.1 kg/ha with post emergence under submerged conditions. The structure activity relationships (SARs) on herbicidal activity of $SR_{2}$=2-arylthio substituents on the pyrrole ring were analysized. From the results, the relative contribute orders of the $SR_{2}$ with phenyl group on the activity are meta > para > ortho-substituents. Among these compounds, the $R_{1}=propargyl$ (IA) subsrituents, $1{\sim}12$ showed higher activity than the $R_{1}$=2-chloro-2-propenyl (IB) substituents, $13{\sim}16$. The $SR_{2}$ groups of IA substituents shown that the optimal steric constant, $(Es)_{opt.}=3.25$ and m-phenylthio substituents were found to be -contribute the activity against barnyard grass. But the herbicidal activity of IB substituents against bulrush would depend upon the molar refractivity, $M_{R}$ constant of $SR_{2}$ group.

• Korean Chemical Engineering Research
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• v.49 no.1
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• pp.56-61
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• 2011

Alkyl vinyl ethers such as methyl vinyl ether, propyl vinyl ether, isopropyl vinyl ether, butyl vinyl ether and isobutyl vinyl ether are usually used as industrial solvents and chemical intermediates in the chemical or pharmaceutical industry. Recently, they are popularly used as raw materials for polymer electrolyte membrane fuel cells and as cellulose dyeing assistants. However, very few investigations about process design and operation data were reported for alkyl vinyl ether compounds and there are no data for propyl vinyl ether(PVE) systems as far as we know. In this work, the isothermal VLE data are reported at 333.15 K for the ternary systems of {PVE + ethanol + benzene} by using headspace gas chromatography(HSGC) and these VLE data were correlated using Wilson, NRTL and UNIQUAC equations. The excess volumes($V^E$) and deviations in molar refractivity(${\Delta}R$) data are also reported for the sub binary systems {PVE + ethanol}, {ethanol + benzene} and {PVE + benzene} at 303.15 K. These data were correlated with Redlich-Kister equation. In addition, isoclines of $V^E$ and DR for ternary system {PVE + ethanol + benzene} were also calculated from Radojkovi equation.

• The Korean Journal of Pesticide Science
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• v.3 no.1
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• pp.29-36
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• 1999

A series of N-phenyl-O-phenylthionocarbamate derivatives were synthesized and determinated fungicidal activities in vitro against gray mold (Botrytis cinerea) and capsicum phytophthora blight (Phytophthora capsici) which showed resistance and sensitivity to benomyl and metalaxyl as systemic fungicides, respectively. The structure-activity relationship (SAR) was investigated by Free-Wilson analysis method and Hansch method. From the basis on the findings, the N-phenyl(X) groups had more contributions than O-phenyl(Y) groups did and ortho-substituents on the N-phenyl group showed high fungicidal activities. Especially, 4-cyano substituent, 2 as X-group showed 50% inhibition($pI_{50}=5.50$) of hyphae growth at 0.8ppm against resistance P. capsici (RPC) And hydroxyl substituents, 12 and 23 displayed the highest fungicidal activity against resistant B. cinerea (RBC), sensitive B. cinerea (SBC), and sensitive P. capsici (SPC). Antifungal activities of SPC were dependent upon molar refractivity (MR) constant and those of others relied on hydrophobic parameters (${\sigma}$ and logP). For increasing fungicidal activity against RPC and SBC, the optimum values of the sigma (${\sigma}$) and field(F) constants as electron withdrawing groups were 0.32 and 0.18, respectively.