• Journal of Soil and Groundwater Environment
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• v.26 no.1
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• pp.54-64
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• 2021

The chemical warfare agents (CWAs) have been developed for offensive or defensive purposes and used as chemical weapons in war and terrorism. The CWAs are exposed to the natural environment, transported through the water system and then eventually contaminate soil and groundwater. Therefore, effective decontamination technology to remediate CWAs are needed. The CWAs are extremely dangerous and prodution is strictly prohibited, therefore, it is difficult to use CWAs even in experimental purpose. In this study, 2,4-dichlorophenoxyacetic acid (2,4-D) was chosen as a model representative CWA because it is a simulant of anti-plant CWAs and one of the major component of agent orange. The optimum degradation conditions such as oxidant:activator ratio were determined. The effects of hydroxylamine and chelating agents such as citric acid (CA), oxalic acid (OA), malic acid (MA), and EDTA addition to increase Fe2+ activation were also investigated. Scavenger experiments using tert-butyl alcohol (TBA) and ethanol confirmed that although both sulfate (SO4•-) and hydroxyl radical (•OH) existed in Fe2+-persulfate system, sulfate radical was the predominant radical. To promote the Fe2+ activator effect, the effect of hydroxylamine as a reducing agent was investigated. In chelating agents assisted Fe2+-persulfate oxidation, the addition of 2 mM of CA and MA enhanced 2,4-D degradation. In contrast, EDTA and OA inhibited the 2,4-D removal due to steric hindrance effect.

• The Journal of the Korean Society for Microbiology
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• v.12 no.1
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• pp.19-32
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• 1977

The specificity of the N- and C-terminal antigenic determinant($P_{17}$: sequence $Lys^1-{cys-}^6-Asn^{27},\;{Trp^{12}}_2-Cys^{127}-Leu^{129}$) of hen egg-white lysozyme(HL) was studied in more detail. In a Scatchard plot of the binding of $^{14}C$-acetyl HL with guinea pig purified anti-$P_{17}$ antibody experimental values bent sharply aear r=1. This suggests of two antibody populations with different affinities for HL or possible steric hindrance in the binding of a second HL molecule to the second binding site of the antibody molecule. The antigenic activities of various peptides were tested by measuring their inhibition of the binding of $^{14}C-acetyl-P_{17}$ with the antibody, Only $P_{17}$ and $P_{17}t$(sequence $Lys^1-cys^6-Homoser^{12},\;Trp^{123}-Cys^{127}-Leu^{128})$) were inhibitory, with $K_1$ values of $2.0{\times}10^4$ and $8.1{\times}10^3$, respectively. These results indicate that the direct binding site of $P_{17}$ to anti-$P_{17}$ antibody may be located in the terminal portion of $P_{17}$ (sequence $Lys^1-Cys^6-Homoser^{12},\;Trp^{123}-Cys^{127}-Leu^{129})$) while the rest of $P_{17}$ may be important in maintaining the conformation of this determinant. The single disulphide bond involved in this determinant is essential for manifestation of immunological activity.

• Applied Biological Chemistry
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• v.50 no.3
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• pp.147-153
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• 2007

To search for a molecular design of a new breast cancerous inhibitory active compound, 2D-QSAR and HQSAR between the substituents of flavopiridol analogues as substrates and their breast cancerous inhibitory activities against MCF-7 cell were analyzed and discussed quantitatively. It was found that the dispersion with molecule and steric hindrance with substituents will have a tremendous impact on the inhibitory activities from the 2D-QSAR model (1). Also, MR constant is better than that of MS constant as animportant factor. The inhibitory activities from 2D-QSAR model (2) were dependent upon the optimum MR constant (MR = 126 $Cm^3/mol$). Optimized HQSAR model (V) exhibited the best predictability of the inhibitory activities based on the cross-validated $r^2_{cv}$($q^2$= 0.583) and non-cross-validated conventional coefficient ($r^2_{ncv}$= 0.982). From the contribution maps, the inhibitory activity by the imino group on $C_9$ atom was higher than that of the hydroxyl group of $C_8$ atom on the A ring in molecule. Therefore, we can confirm that the dispersion by substituents in molecule is the most important factor in inhibitory activities against MCF-7 cell.

• Applied Chemistry for Engineering
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• v.9 no.1
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• pp.107-114
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• 1998

The solubilities of $CO_2$ in 20wt% and 30wt% aqueous AMP solution were obtained from experiments at 40, 50, 60, 70, $80^{\circ}C$. Using the modified Kent-Eisenberg model, equilibrium constants and correlations were determined from the regression of experimental results of 30wt% aqueous AMP solution. There were good agreements between the predicted $CO_2$ solubilities in 20wt% aqueous AMP solution and experimented values. The prediction was conducted at the condition in the literature and the predicted values calculated from the model and correlations which were obtained from this work agree well with the prediction from Deshmukh-Mather model. Thus, the modified Kent-Eisenberg model and correlated equations suggested by this work, resonably well represent vapor-liquid equilibrium of $CO_2$ with aqueous AMP solution. The calculation of chemical species concentration in the liquid phase was performed uslng equilibrium model and from this calculation, we confirm that good absorption capacity is due to the formation of unstable carbamate. Heat of solution(${\Delta}Hs$) was calculated from the solubility data using the Gibbs-Helmholtz equation.

• Composites Research
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• v.29 no.5
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• pp.282-287
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• 2016

p-DCPD (poly dicyclopentadiene) is the resin that the versatile mechanical properties can be changeable via the control of inner monomer and catalysts. In this work, to improve the strength of composites, surface treated MGF (milled glass fiber) was used as an reinforcement in p-DCPD by molybdenum (Mo) catalyst matrix. The optimum concentration of surface treatment was obtained and the cohesion of MGF themselves increased with concentration. In case of 0.2 wt% silane concentration, the maximized mechanical properties of MGF/p-DCPD composite exhibited because of minimized MGF cohesion. When butyl silane showing minimizing cohesion was used as the optimized alkyl length, high tensile and flexure strength exhibited due to the steric hindrance effect among MGFs. Mechanical and their fractured surfaces of MGF/p-DCPD composites was compared for 4 different chemical functional groups. Norbornene functional groups containing similar chemical structure to DCPD matrix exhibited higher interfacial adhesion between MGFs and DCPD matrix.

• Journal of the Korean Chemical Society
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• v.15 no.6
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• pp.312-317
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• 1971

The interactions of aniline, o-toluidine, o-ethylaniline and o-chloroaniline with iodine in carbon tetrachloride solution have been examined through spectrophotometric measurements. The results indicate that both aniline and the o-substituted anilines examined form one-to-one complexes with I2in solution. The formation constants of the complexes measured at room temperature are 12.8, 9.31, 3.15 and 0.576 l $mole^{-1}$, respectively. Comparison of these results with previous experimental results indicates that the relative stabilities of the $I_2$-amine complexes decrease in the following order: $C_6H_5N(C_2H_5)_2 >C_6H_5N(CH_3)_2 >C_6H_5NH_2 >o-CH_3C_6H_4NH_2 >o-C_2H_5C_6H_4NH_2 >o-ClC_6H_4NH_2$. This may support the conclusion that the relative stabilities of these complexes are explained by the inductive effect and steric hindrance of the substituents.

• Journal of the Korean Chemical Society
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• v.38 no.4
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• pp.283-287
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• 1994

The crystal stucture of bithional surfoxide, $C_{12}H_6Cl_4O_3S$, has been determined from 2295 independent reflections collected on an automated CAD-4 diffractometer with a graphite-monochromated $Mo-K\alpha$ radiation. The crystal belongs to the monoclinic, space group P2$_1$/n, with a unit cell dimensions a = 12.448(4), b = 9.740(1), c = $11.815(2)\AA$, $\beta$ = $100.06^{\circ}$, $\mu$ = 9.02 cm$^{-1}$, Dm = 1.76 g/cm$^3$, Dc = 1.75 g/cm$^3$, F(000) = 744, and Z = 4. The structure was solved by the direct method and refined by the least-squares method. The final R values was 0.037 for 2295 independent reflections. Overall conformation of the molecule is folded with respect to central surfur atom. Comparing with the molecular conformation of bithional, one of phenyl rings was swinged with about $180^{\circ}.$ This conformational change in the molecule results in the existance of intramolecular-hydrogen bond of S-O(3)---H-O(1) type and its steric hindrance between this moiety and the other phenyl ring. The two best planes of the phenyl rings have a maximum deviation of 0.009 $\AA$ for C(1) atom. The dihedral angle between two phenyl rings is $99.22^{\circ}.$ In the crystal structure, the molecules are packed with intermolecular-hydrogen bond of O(3)---H-O(2).

• Korean Chemical Engineering Research
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• v.54 no.4
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• pp.574-581
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• 2016

In this study, CNT functionalized with pyrrolidine ring via 1,3-dipolar cycloaddition reaction with various amino acid and aldehyde was synthesized. Metallocene was subsequently immobilized on the functionalized CNT and CNT/polyethylene composite was prepared via in-situ ethylene polymerization. The polymerization activities of metallocene supported on CNT functionalized with glycine and benzaldehyde (Gly+BA-CNT) were similar to those of metallocene supported on CNT functionalized with N-benzyloxycarbonylglycine and paraformaldehyde (Z-Gly+PFA-CNT) although its Zr content was lower than that of Z-Gly+PFA-CNT. In the case of metallocene supported on Z-Gly+PFA-CNT, the even distribution of active sites hindered the diffusion of ethylene monomer and cocatalyst MAO due to steric hindrance during ethylene polymerization. Compared to polyethylene produced from homogeneous metallocene catalysts, CNT/PE composites had a higher initial degradation temperature ($T_{onset}$) and maximum mass loss temperature ($T_{max}$). It suggests that pyrrolidine functionalized CNT is uniformly dispersed and strongly interacted with the PE matrix, enhancing the thermal stability of PE.

• Applied Chemistry for Engineering
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• v.1 no.2
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• pp.190-196
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• 1990

The biological active monomer, 1-(methacryloyloxymethyl)-5-fluorouracil(MAOMFU) was synthesized from 2, 4-bis(trimethylsilyloxy)-5-fluoropyrimidine. Poly(MAOMFU) poly(1-methacryloyloxymethyl-5-f1uorouracil-co-methyl methacrylate), and poly(MAOMFU-co-MMA) were also obtained by radical polymerization at $60^{\circ}C$. The monomer reactivity ratios, $r_1$ and $r_2$ were determined by $Kelen-T\ddot{u}d\ddot{o}s$ method ; $r_1(MAOMFU)=0.72$, and $r_2(MMA)=1.24$. These reactivity values imply that the copolymerization was mainly affected by the steric hindrance of MAOMFU. It was found from kinetic measurements that the rate constants of solvolysis are given as $6.42{\times}10^{-5}sec^{-1}$ and $7.40{\times}10^{-6}sec^{-6}$, respectively, for MAOMFU and poly(MAOMFU).

• Journal of Korean Society of Environmental Engineers
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• v.31 no.10
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• pp.883-892
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• 2009

We evaluated the degradation properties of various alkanolamine absorbents (MEA, AMP, DEA, and MDEA) having different chemical structures for $CO_2$ capture. The degradation of $CO_2$ absorbent in general was known to be caused by oxygen which is in flue gas and by heat source, respectively. To analyze the effect of $CO_2$ and $O_2$ on degree of degradation, we conducted a variety of experiments at $30^{\circ}C$ and $60^{\circ}C$ (oxidative degradation) and $130^{\circ}C$ and $150^{\circ}C$ (thermal degradation), respectively. DEA showed the worst property for oxidative degradation in the presence of oxygen among the alkanolamine absorbents. In the case of thermal degradation, the degradation of absorbent was occurred for most of absorbents at $150^{\circ}C$. Among these absorbents, MEA and DEA gave the worst results. As a result, AMP which is a primary amine and having a steric hindrance showed the best result through the degradation test. But, the degradation of absorbent proceeded easily in the case of DEA which is a secondary amine and having 2 OH groups in terminal position. Consequently, we have evaluated the degree of degradation of various absorbents having different chemical structures to give the basic data for the development of alkanolamine absorbent.