• Journal of Microbiology and Biotechnology
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• v.6 no.3
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• pp.173-178
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• 1996

Synergic effects among endo-xylanase, $\beta$-xylosidase, and acetyl xylan esterase of Bacillus stearothermophilus in the hydrolysis of xylan were studied by using birchwood, oat spelt, and acetylated xylan as substrates. Synergism between endo-xylanase and $\beta$-xylosidase was observed on all three substrates tested, indicating that $\beta$-xylosidase enhanced the production of xylose by relieving the end-product inhibition upon endo-xylanase conferred by xylooligomers. Endo-xylanase and $\beta$-xylosidase also showed synergism with acetyl xylan esterase in the hydrolysis of birchwood and acetylated xylan, while no synergic effect was detected in oat spelt xylan hydrolysis. Thus, the hydrolysis of xylan containing acetic acid side chains required the action of acetyl xylan esterase, which eliminated the steric hindrance of the side chains, leading to the better hydrolysis by endo-xylanase and $\beta$-xylosidase , and the acetyl xylan esterase activity was also enhanced by endo-xylanase and $\beta$-xylosidase for the latter enzymes provided acetyl xylan esterase with shorter xylan oligomers, the better substrate for the enzyme.

• Bulletin of the Korean Chemical Society
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• v.23 no.2
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• pp.229-240
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• 2002

Quantum mechanical calculation is performed for the $O(^1D)$ + HCl ${\rightarrow}$OH + Cl reaction using Reactive Infinite Order Sudden Approximation. Shifting approximation is also employed for the l ${\neq}$ 0 partial wave contributions. Various dynamical quantities are calculated and compared with available experimental results and quasiclassical trajectory results. Vibrational distributions agree well with experimental results i.e. product states mostly populated at $v_f$ = 3, 4. Our results also show small peak at $v_f$ = 0, which indicates bimodal vibrational distribution. The results show two significant broad peaks in ${\gamma}_i$ dependence of the cross section, one is at ${\gamma}_i$ = $15^{\circ}-35^{\circ}$ and the another is at ${\gamma}_i$= $55^{\circ}-75^{\circ}$ which can be explained as steric effects. At smaller gi, the distribution is peaked only at higher state ($v_f$ = 3, 4) while at the larger gi, both lower state ($v_f$ = 0) and higher state ($v_f$ = 3, 4) are significantly populated. Such two competing contributions (smaller and larger ${\gamma}_i$) result in the bimodal distribution. From these points we suggest two mechanisms underlying in current reaction system: one is that reaction occurs in a direct way, while the another is that reaction occurs in a indirect way.

• Journal of Photoscience
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• v.7 no.2
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• pp.67-71
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• 2000

A quantum-chemical investigation on the conformations and electronic properties of trans(diphenyl-diheterocyclic) ethenes(t-PHEs) as building block for fully $\pi$-conjuated polymer are performed in order to display the effects of heterocyclic ring substitution. Structures for the molecules, t-PHEs were fully optimized by using semiempirical AM1, PM3 methods, and ab initio HF methods, with 6-31G basic set. The potential energy curves with respect to the change of single are obtained by using ab initio HF/6-31G basic set. The curves are not similar shapes in the molecules with respect to heterocyclic rings. It is shown that the steric repulsion interactions between phenyl ring and heterocyclic ring are subjected to different type with the respect to each heterocyclic ring. Electronic properties of the molecules were molecules were obtained by applying the optimized structures and selected geometries to the extended Huckel method. To investigate the change of HOMO-LUMO gap with respedt to the torsion angle, we select the optimized structures. By using the results, the dependency of conjugation for the energy gaps is analyzed. For t-PHE the energy gap increase up to 0.52 eV compared with its planar structure. In the cases of t-PHE and t-PHE, the energy gap increase by 1.29 and 1.15 eV, respectively, compared with its planar structure.

• Journal of Environmental Health Sciences
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• v.38 no.4
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• pp.351-359
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• 2012

Objectives: This study was conducted in order to investigate the specific correlation between physicochemical properties and bioactivity in ecdysteroids found in living organisms. Methods: The examined steroidal compounds were classified into three groups according to their relevance to ecdysone activity. Each compound molecule was completely drawn to automatically calculate its physicochemical parameters and docked against 20-hydroxyecdysone to calculate the total distance. Electronic charge distribution was also observed for each molecule. All procedures were conducted using a computational chemistry program. Results: Ecdysone agonists showed different ranges of parameter values, such as log P, hydrophilic-lipophilic balance (HLB), solubility parameter (SP), hydrophilic surface (HPS), hydrogen bond (HB) and Kappa 2, when compared with antagonists and steroids without ecdysone activity. They also showed a similar electronic charge distribution that is significantly different from the electron charge distribution of antagonists and steroids without ecdysone activity. The total distance values of agonists, estimated by docking them with 20-hydroxyecdysone, were relatively small but showed no correlation with binding affinity with receptor ligand. Conclusions: These results suggest that physicochemical properties such as steric and electronic effects, hydrophobicity and hydrogen bonding may operate in combination to determine the binding activity of ecdysteroids to the receptor protein.

• Journal of Surface Science and Engineering
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• v.24 no.1
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• pp.1-17
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• 1991

Understanding of the detailed reaction mechanisms during MOVPE and ALE is essential to further improve the properties of the grown crystals and the controllability of the growth parameters. The unified models for the detailed reaction paths are not available at this stage. The study, however, has been advanced to the extent that consensus on some of the reaction paths can be drawn from the scattered data. Metalakyls such as TMGa and TMIn seem to nearly fully decompose in the gas phase through homogeneous reaction at the typical MOVPE growth temperature. Hydrides such as AsH3 and PH3, on the contrary. seem to decompose heterogeneously onthe substrate surfaces as well as homogeneously in the gas phase. However, at lower temperatures, where ALE crystals are typically grown, the growth process is strongly dependent on the surface reactions. It seems that steric hindrance effects which the radicals reaching the substrate exhibit on the surface the growth rate a function of the metalalkyle supply durations. In addition, dydrogens released from hydrides seem to play an essential role in removing carbons leberated from the metalalkyls. High growth temperatures also seem to be effective in desorbing carbons from surface. The understanding of the reaction mechanisms was possible though diverse appraaches utilizing many ex-situ and in-situ diagnostic techniques and genuine experimental designs. It is the purpose of this paper to review and discuss many of these efforts and to draw some possible conclusions from them.

• Journal of Surface Science and Engineering
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• v.24 no.1
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• pp.1.1-1.1
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• 1991

Understanding of the detailed reaction mechanisms during MOVPE and ALE is essential to further improve the properties of the grown crystals and the controllability of the growth parameters. The unified models for the detailed reaction paths are not available at this stage. The study, however, has been advanced to the extent that consensus on some of the reaction paths can be drawn from the scattered data. Metalakyls such as TMGa and TMIn seem to nearly fully decompose in the gas phase through homogeneous reaction at the typical MOVPE growth temperature. Hydrides such as AsH3 and PH3, on the contrary. seem to decompose heterogeneously onthe substrate surfaces as well as homogeneously in the gas phase. However, at lower temperatures, where ALE crystals are typically grown, the growth process is strongly dependent on the surface reactions. It seems that steric hindrance effects which the radicals reaching the substrate exhibit on the surface the growth rate a function of the metalalkyle supply durations. In addition, dydrogens released from hydrides seem to play an essential role in removing carbons leberated from the metalalkyls. High growth temperatures also seem to be effective in desorbing carbons from surface. The understanding of the reaction mechanisms was possible though diverse appraaches utilizing many ex-situ and in-situ diagnostic techniques and genuine experimental designs. It is the purpose of this paper to review and discuss many of these efforts and to draw some possible conclusions from them.

• Journal of Korean Society on Water Environment
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• v.21 no.2
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• pp.205-210
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• 2005

There has been a growing interest in NF membrane for drinking water treatment, because it can remove simultaneously both hardness and hazardous micro pollutants such as pesticides and THM precursors. In this work, a hollow fiber NF membrane known as a composite membrane was employed for the rejection properties of both hydrophilic solutes and micro organic pollutants, where the former was used to evaluate the molecular sieving effect of this membrane and the latter was employed for the investigation of solute-membrane interaction as hydrophobic materials. This membrane effectively rejected the hydrophilic solutes and the permeation of them was mainly controlled by the molecular sieving effects such as molecular weight and molecular width. In the case of all micro organic pollutants, the rejections were varied from 42.2% for Simazine to 91.6% for Malathion, and the parameters related to the steric hindrance could significantly play an important role in the rejection. In the batch type adsorption experiments, all micro organic pollutants were entrapped mildly on the membrane in spite of lower degree compared with that of aromatic compounds, and they were correlated with log K.

• Journal of Powder Materials
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• v.13 no.2 s.55
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• pp.138-143
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• 2006

In this study, the effects of the dispersants, i.e., Hypermer KD-2 and poly(l-vinyl-2-pyrrolidone) (PVP), and their concentration on the dispersion stability of Ni nanoparticles ($10nm{\sim}40nm$) in ethanol were investigated by using a visual inspection, a transmission profile (Turbiscan), and a zeta potential measurement. The transmission profiles measured by Turbiscan showed that the particle size increased over the entire height of the sample for suspensions with both the dispersants without showing any particle coalescence and sedimentation. The visual inspection also confirmed that the Ni suspensions with Hypermer KD-2 and PVP were very stable for more than a year. The zeta potential values varied from positive to negative with increasing the dispersant's concentration. The dispersion stability of the suspensions was not affected by both the dispersant's concentration and the zeta potential values. The observed suspension stability of Ni nanoparticles was attributed to the steric effect for the Hypermer KD-2 and to the bridging effect for the PVP.

• Corrosion Science and Technology
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• v.16 no.4
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• pp.187-193
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• 2017

Polymer amines are found to show distinct corrosion inhibition effects in acidic media. The functional groups of organic compounds have a wide role in the physical and chemical properties, for the inhibition efficiency with respect to steric factors, aromaticity, and electron density. The influence of $H^+$ ions and $Cl^-$ ions on the corrosion inhibitive effect of poly(p-aminophenol) for iron in hydrochloric acid was studied using electrochemical methods such as impedance, linear polarization, and Tafel polarization techniques. The experiments were conducted with and without the inhibitor, poly(p-aminophenol). The concentration range of $H^+$ ions and $Cl^-$ ions are from 1 M to 0.05 M and 1 M to 0.1 M, respectively. With the inhibitor poly(p-aminophenol), this study shows that inhibition efficiency decreases with the reduction of $H^+$ ion and $Cl^-$ ion concentrations in aqueous solution. Further, it reveals that the adsorption of an inhibitor on the surface of iron is dependent on the concentrations of $H^+$ and $Cl^-$ ions in the solution and the adsorption of inhibitor on the iron surface through the cationic form of amine.

• Journal of the Korean Chemical Society
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• v.37 no.3
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• pp.335-343
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• 1993

The maximum absorption wavelengths of charge-transfer complexes of naphthalene, ${\alpha}-and{\beta}-methyl$ naphthalene and 1,2-, 2,3-and 2,6-dimethyl naphthalene with chloranil have been measured with a UV spectrophotometer in ethylene chloride, methylene chloride, and chloroform at 10, 15, 20, and 25$^{\circ}C$. This absorption band was interpreted as the charge transfer band of a 1 : 1 molecular complex, and the maximum absorption wavelength was changed as a function of solvent and temperature. Their formation constants (K$_f$) were decreased with the polarity of solvent and the increase of temperature. Thus, the influences of solvent and temperature on the formation constant have been discussed as consideration of thermodynamic properties, and the electronic and steric effects of electron donors on formation constant have been also discussed.