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洛東江 水質汚染에 따른 淨水處理 改善에 關한 硏究(II)
李哲熙,朴永圭,金水源,具本大 嶺南大學校 環境問題硏究所 1981 環境硏究 Vol.1 No.1
The algae content in the Nackdong river water, which is used as source of water works in Daegu city and carries a pollution load of domestic and industrial wastewater, rises in the warm season to such a level that calls for a improvement process for water treatment. A pilot plant study on the efficiency of the removal of algae by dissolved air flotation was conducted and the results are summarized as follows: 1. Algae concentration in the raw water is the highests in April, May and September below 25 NTU of raw water turbidity. In these dry months, the production of treated water decreases by the conventional water treatment process. 2. The average efficienct of algae removal could be achieved at 96% using coagulants, such as alum or PAC at dissolved air flotation. In the conventional sedimentation process, algae can be removed by only 88% and produces chlorinated organic compounds after breakpoint chlorinatioin. 3. It is required that the ideal flotation area is 7,106㎡ and the detention time is 20 min for treated water of 250,000㎡ /day.
이익춘,이본수 서울대학교 1972 서울대학교 論文集 Vol.22 No.-
The volume and compressibility of activation at atmospheric pressure for various reactions were evaluated by the graphical method which was applied to ionic equilibrium by Lord Wynn-Jones, and reaction-mechanisms were discussed on the basis of these quantities. It was ascertained that compressibility of activation is more favorable than volume of activation for discussing reaction mechanisms. Expansibility of activation was also calculated for a few cases.
Hyun, Kwan-Hoon,Kwack, In-Young,Lee, Do-Young,Park, Hyung-Yeon,Lee, Bon-Su,Kim, Chan-Kyung Korean Chemical Society 2004 Bulletin of the Korean Chemical Society Vol.25 No.12
Ligand-based quantitative structure-activity relationship (QSAR) studies were performed on indolinones derivatives as a potential inhibitor of the protein tyrosine kinase of fibroblast growth factor receptor (FGFR) by comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) implemented in the SYBYL packages. The initial X-ray structure of docked ligand (Su5402) to FGFR was used to minimize the 27 training set molecules using TRIPOS force field. Seven models were generated using CoMFA and CoMSIA with grid spacing 2 ${\AA}$. After the PLS analysis the best predicted CoMSIA model with hydrophobicity, hydrogen bond donor and acceptor property showed that a leave-one out(LOO) cross validated value $({r^2}_{cv})^$ and non-cross validated conventional value $({r^2}_{ncv})^$ are 0.543 and 0.938, respectively.
Lee, Ik-Choon,Li, Hong-Guang,Kim, Chang-Kon,Lee, Bon-Su,Kim, Chan-Kyung,Lee, Hai-Whang Korean Chemical Society 2003 Bulletin of the Korean Chemical Society Vol.24 No.5
The gas phase identity nucleophilic substitution reactions of halide anions (X = F, Cl, Br) with cyclopentadienyl halides (1) are investigated at the B3LYP/6-311+G**, MP2/6-311+G** and G2(+)MP2 levels involving five reaction pathways: σ-attack $S_N2$, β-$S_N$2'-syn, β-$S_N$2'-anti, γ-$S_N$2'-syn and γ-$S_N$2'-anti paths. In addition, the halide exchange reactions at the saturated analogue, cyclopentyl halides (2), and the monohapto circumambulatory halide rearrangements in 1 are also studied at the same three levels of theory. In the σ-attack $S_N2$ transition state for 1 weak positive charge develops in the ring with X = F while negative charge develops with X = Cl and Br leading to a higher energy barrier with X = F but to lower energy barriers with X = Cl and Br than for the corresponding reactions of 2. The π-attack β-$S_N$2' transition states are stabilized by the strong $n_C-{\pi}^{*}_{C=C}$ charge transfer interactions, whereas the π-attack γ-$S_N$2' transition states are stabilized by the strong $n_C-{\sigma}^{*}_{C-X}$ interactions. For all types of reaction paths, the energy barriers are lower with X = F than Cl and Br due to the greater bond energy gain in the partial C-X bond formation with X = F. The β-$S_N$2' paths are favored over the γ-$S_N$2' paths only with X = F and the reverse holds with X = Cl and Br. The σ-attack $S_N2$ reaction provides the lowest energy barrier with X = Cl and Br, but that with X = F is the highest energy barrier path. Activation energies for the circumambulatory rearrangement processes are much higher (by more than 18 kcal $mol^{-1}$) than those for the corresponding $S_N2$ reaction path. Overall the gas-phase halide exchanges are predicted to proceed by the σ-attack $S_N2$ path with X = Cl and Br but by the β-$S_N$2'-anti path with X = F. The barriers to the gas-phase halide exchanges increase in the order X = F < Br < Cl, which is the same as that found for the gas-phase identity methyl transfer reactions.
Lee, Ik-Choon,Koh, Han-Joong,Lee, Bon-Su,Lee, Hai-Whang,Choi, Jae-Ho Korean Chemical Society 1990 Bulletin of the Korean Chemical Society Vol.11 No.5
Primary and secondary ${\alpha}$-deuterium kinetic isotope effects are determined with deuterated aniline nucleophiles in the nucleophilic substitution reactions of benzyl benzenesulfonates and 1-phenylethyl benzenesulfonates in acetonitrile at 30.0^{\circ}C. The $k_H/k_D$ values support our previous conclusions regarding the transition state structures proposed for the two reactions based on the cross-interaction constants ${\rho}_{ij}$; the former is a typical $S_N2$ reaction whereas in the latter the four-center transition state may be involved.
Lee, Ik-Choon,Lee, Byung-Choon,Lee, Bon-su,Sohn, Se-Chul Korean Chemical Society 1985 Bulletin of the Korean Chemical Society Vol.6 No.1
Solvolysis of 1-adamantyl chloride, -bromide and -tosylate have been studied in methanol-acetonitrile mixtures. Rate maxima were found for 1-adamantyl bromide and tosylate at 80-90 % methanol mixtures. The rate maximum observed was interpreted as a result of cooperative enhancement of cation and anion solvation. 1-Adamantyl tosylate had small cation solvation but had extensive anion solvation. It was concluded that the Y scale based on adamantyl tosylate is superior to others since it varies in a wide range especially for weakly ionizing medium.
QSAR Studies on 6-Nitroquipazine Analogues as Serotonin Transporter
Lee, In-Young,Lee, Kyung-A,Lee, Bon-Su,Chi, Dae-Yoon,Kim, Chan-Kyung Korean Chemical Society 2006 Bulletin of the Korean Chemical Society Vol.27 No.12
3D-QSAR model that correlates the biological activities with the chemical structures of quipazine derivatives acting on the serotonine transporter (SERT) was developed by comparative molecular field analysis (CoMFA). Total 8 models were constructed and a more accurate model, using close 1 $\AA$ grid spacing and StDev*Coefficients weight value gave better results. The contour maps with the best model, the resulting cross-validated correlation ($q^2$ : 0.744), and non-cross-validated correlation ($r^2$ : 0.966) indicate the steric and electrostatic environment of inhibitors in the SERT binding pocket. This study can be used as a putative picture of the pharmacophore in the design of novel and potent inhibitors.