• Journal of the Korean Chemical Society
• /
• v.17 no.4
• /
• pp.235-239
• /
• 1973

Kinetic studies of benzoyl chlorides solvolysis have been carried out in acetone-water mixtures. Results show that bimolecular process predominates in the low water content region but SN1 process becomes increasingly important in the high water content solvent composition.

• The Korean Journal of Pesticide Science
• /
• v.7 no.2
• /
• pp.117-122
• /
• 2003

Modeling and synthesis of novel hydroxyethyl 2-iminothiazolines were carried out through molecular modification of lead compound, 2-phenyliminothiazolines 1, for the purpose of development of new fungicidal agrochemicals. Oxygen atom of the hydroxyethyl group in 2-iminothiazolines 3 would locate in the proximity of the imino carbon at C-2 of 2-iminothiazoline moiety through neighboring group participation, and so that it would affect the biological activity of the molecule. Reaction of $\gamma$-chloroacetoacetanilides 5 with hydroxyethylureas 6 gave 29 kinds of new corresponding hydroxyethyl 2-iminothiazolines 3 in high yields.

• Reproductive and Developmental Biology
• /
• v.29 no.1
• /
• pp.43-48
• /
• 2005

To search of a new porcine pheromonal odorants for biostimulation control system technologies to offer a potentially useful and practical way to improve reproductive efficiency in livestock species, the holographic quantitative structure activity relationship (HQSAR) model between odorants, 2-phenoxytetrahydrofurane (A), 2-cyclohexyl-oxytetrahydrofurane (B), derivatives and binding affinity constants (p[Od.]/sub 50/) for porcine odorant-binding protein (pOBP) as receptor of pig pheromones were derivated and disscused. The binding affinity constants of cyclohexyl substituents (A) for pOBP were higher (A>B) than that of phenyl substituents (B). It was revealed that the optimum HQSAR model XI using PLS analyses had a fragment length (5∼8) with chirality at 5 components and hologram length 97 bin, which had a cross-validated q²(predictablities) of 0.916, and a conventional correlation coefficient r² (fitness) of 0.988, respectively. From the atomic contribution, the C3 and C5 atom in 2-oxyfuryl group contributed to binding affinity constants, whereas the central carbon atom in tert-butyl group on the cyclohexyl ring and the C4 atom of furyl group parts showed no contribution.

• Journal of the Korean Chemical Society
• /
• v.20 no.6
• /
• pp.453-459
• /
• 1976

Rate constants for the reaction of methyl chloroformate with substituted anilines, and for the halogen exchanges in phenyl chloroformate have been determined in acetone. Although the rate data can be interpreted equally well with the addition-elimination mechanism($S_AN$) involving an intermediate, results of MO and isotope effect studies strongly favor the synchronous ($S_N2$) mechanism for the reactions studied. It was concluded that for the fast reacting nucleophiles the transition state is of "late" type while for the slow reacting nucleophiles it is of "early" type.

• The Korean Journal of Pesticide Science
• /
• v.7 no.2
• /
• pp.75-82
• /
• 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 the Korean Chemical Society
• /
• v.25 no.5
• /
• pp.300-305
• /
• 1981

The soy bean oil cakes and perillar oil cakes are phosphorylated and sulfonated to be used as ion exchangers. There 40-60mesh cations exchanges have bean tested on the capacity of ion exchange, the adsorption and distribution coefficients of several metal ions in various concentrations of binary solution mixture, hydrochloric acid and alcohol. From there experiments, the following results are concluded. The ion exchange capacity of ion exchangers are higher than 4 meq/g. The adsorption of metal ions on ion exchangers are increased generally as pH is increased, especially Co(II) on sulfonated soy bean oil cake. The distribution coefficients of various metal ions are decreased as the number of branches of carbon and hydroxyl groups are increased. There show that the stereo-isomerism of alkyl group or attraction of ligand have influenced upon various metal ions. Consequently it is deduced that there ion exchanges from soy bean oil cake and perillar oil cake resemble in properties to current ion exchangers.

• Analytical Science and Technology
• /
• v.13 no.2
• /
• pp.241-249
• /
• 2000

In this paper, ozonation of humic acid in water was characterized using $UV_{254}$ absorbance, TOC, Ultra Filtration and $^{13}C-NMR$. Also, carbonyl compounds in ozonated water were analyzed by GC/MS using PFBOA method. Ozonation by-products of water containing humic acid were determined as formaldehyde, acetaldehyde, acetone, glyoxal and methylglyoxal. Results of $UV_{254}$ absorbance and TOC with ozonation time at humic acid 20, 100ppm represent that decrease rate of 80% within ozonation time is 20 min and TOC removal rate of 40-50% within ozonation time is 30 min. Results for $^{13}C-NMR$ and Ultra Filtration, humic acid of high molecular weight by ozonation are oxidated and decomposed so that it was conversed low molecular weight such as aldehydes, carboxylic acid.

• Journal of the Korean Chemical Society
• /
• v.36 no.4
• /
• pp.584-588
• /
• 1992

The rate constants of hydrolysis of ${\alpha}$-(n-butyl)-N-phenylnitrone and its derivatives have been determined by UV spectrophotometry at 25$^{\circ}C$ and a rate equation which can be applied over a wide pH range was obtained. On the basis of rate equations derived and judging from the hydrolysis products obtained and from general base and substituent effects, plausible mechanisms of hydrolysis in various pH range have been proposed. Below pH 4.5, the hydrolysis was initiated by the protonation and followed by the addition of water to ${\alpha}$-carbon. Above pH 10.0, the hydrolysis was proceeded by the addition of hydroxide ion to ${\alpha}$-carbon. In the range of pH4.5∼10.0, the addition of water to nitrone is rate controlling step.

• Korean Journal of Air-Conditioning and Refrigeration Engineering
• /
• v.23 no.4
• /
• pp.281-286
• /
• 2011

The objective of this study is to optimize the four-bed six-step pressure swing adsorption(PSA) process for high purity $CH_4$ recovery from the biogas. The effects of P/F(purge to feed) ratio and cycle time on the process performance were evaluated. The cyclic steady-states of PSA process were reached after 12 cycles. The purity and recovery rate of product gas, pressure and temperature changes were constant as the cycle repeated. It was shown that the P/F ratio gave significant effect on the product recovery rate by increasing the amount of purge gas in purge and regeneration step. The optimal P/F ratio was found to be 0.08. As the cycle time increased, the product purity decreased by increasing the feed gas flow rate. It was found that the optimal operating conditions were P/F ratio of 0.08 and total cycle time of 1,440 seconds with the purity of 97%.

• The Korean Journal of Pesticide Science
• /
• v.2 no.2
• /
• pp.16-21
• /
• 1998

Bis-aromatic ${\alpha},{\beta}$-unsaturated ketone derivatives represented as substrate(S) were synthesized and their fungicidal activities in vivo against rice blast(Pyricularia oryzae) and tomato leaf blight(Phytophthora infestans) were examined with the quantitative structure activity relationships(QSAR) using 3D QSAR, comparative molecular field analysis (CoMFA). The 3D CoMFA results and those of 2D QSAR were compared and the results reveal that both results show similar trend. The two important factors, steric and electronic, contribute toward the activity. We assumed that fungicidal activity for rice blast was greatly improved by increasing with positive charge of ${\beta}$-carbon and introduction of bulky derivatives into $R_{2}$ group, while that for tomato leaf blight was improved by decreasing the positive charge of ${\beta}$-carbon and introduction of smaller molecular derivative into $R_{2}$ group. The CoMFA analyses clearly demonstrate its potential in unraveling the steric and electronic features of the molecules through contour maps.