• Transactions of the Korean Society of Mechanical Engineers B
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• v.35 no.11
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• pp.1243-1248
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• 2011

The purposes of this study were to develop a dynamic model of a human and to investigate the effect of a walker on an elderly subject's motions, such as sit-to-stand (STS) motion and normal gait, by using this model. A human model consisting of 15 segments and 14 joints was developed, embedded in $RecurDyn^{TM}$, and connected through a Simulink$^{(R)}$ interface with collected motion data. The model was validated by comparisons between joint kinematic results from inverse dynamics (Matlab$^{(R)}$-based in-house program) and from $RecurDyn^{TM}$ simulation during walking. The results indicate that the elderly walker induced a longer movement time in walking, such that the speed of joint flexion/extension was slower than that during a normal gait. The results showed that the muscle activities of parts of the ankle and hamstring were altered by use of the elderly walker. The technique used in this study could be very helpful in applications to biomechanical fields.

• Journal of the Society of Cosmetic Scientists of Korea
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• v.34 no.2
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• pp.109-115
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• 2008

The comparative molecular field analyses(CoMFA) models between the substituents with changing groups($R_1{\sim}R_4$) of $3{\beta}$-hydroxy-12-oleanen-28-oic acid derivatives as substrate molecule and their inhibitory activities($pI_{50}$) against protein tyrosine phosphatase(PTP)-1B were derived and discussed quantitatively. The optimized CoMFA F1 model have best predictability and fitness($r^2_{cv.}=0.654$ and $r^2_{ncv.}=0.995$). The order of contribution ratio (%) with CoMFA fields on the inhibitory activities was a steric field(53.0%), electrostatic field(36.2%) and hydrophobic field(10.8%). From the analytical results of CoMFA contour maps, the inhibitory activities were dependent on the R4 group in substrate molecules. Particularly, the new active compounds(P1 & P2) with the inhibitory activity against melanin synthesis were expected.

• Korean Journal of Food Science and Technology
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• v.22 no.6
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• pp.690-695
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• 1990

The adsorption characteristics of coffee were mvestigated at $5, 15, 25, and 35^{\circ}C$ under various water activities such as 11, 32, 57, 75 and 90% and prediction models were developed by optimization program. The moisture adsorption isotherm curves were similar to the typical sigmoid type. The values of equilibrium moisture content and the monolayer moisture content were highest in the Freeze Dried, which was due to porous structure by the drying method. In the result of adjusting the isotherm models in this paper, Halsey model generally gave the best fit for isotherms of coffee. Prediction model for equilibrium moisture content was established with water activity and temperature. Adsorption prediction models were also developed with water activity, with water activity and time, and with water activity, time and temperature, respectively.

• The Korean Journal of Pesticide Science
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• v.9 no.2
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• pp.146-152
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• 2005

The fungicidal activities against resistance phytophthora blight (RPC; 95CC7303) and sensitive phytophthora blight (Phytopthora capsici) (SPC; 95CC7105) by new 2-alkoxyphenyl-3-phenylthioisoindoline-1-one derivatives (A & B) were studied using molecular holographic quantitative structure activity relationships (HQSAR) methodology. Based on the results, the statistical results of the two best HQSAR models, RI-B for RPC and SII-A for SPC exhibited the best predictability and fitness for the fungicidal activities based on the cross-validated value ($q^2=0.806{\sim}0.865$) and non cross-validated value ($r^2_{ncv.}=0.921{\sim}0.952$, respectively. The quality of the model for SPC was slightly than that of RPC. From the based graphical analyses of atomic contribution maps, it was confirmed that the novel selective character for fungicidal activities against RPC depends upon the 2-fluoro-4-chloro-5-alkoxyanilino group.

• Applied Biological Chemistry
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• v.48 no.3
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• pp.252-257
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• 2005

Three-dimensional quantitative structure-activity relationships (3D-QSARs) for the herbicidal activities against pre-emergence barnyard grass (Echinochloa crus-galli) by new 2-(4-(6-chloro-2-benzoxazolyloxy)phenoxy)-N-phenylpropion amide derivatives were studied quantitatively using comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) methodologies. The best CoMFA model (AI-2) and CoMSIA model (AII-4) were derived from an atom based fit alignment and a combination of CoMFA fields. The herbicidal activities from CoMFA and CoMSIA contour maps showed that the activity will be able to be increased according to the substituents variation on the N-phenyl ring.

• Journal of the Korean Chemical Society
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• v.54 no.4
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• pp.363-373
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• 2010

Computational studies were carried out on the opiates morphine, heroin, codeine, pentazocine, and buprenorphine, under the density functional theory. The geometric parameters of the pharmacophore and substituents were evaluated at the B3LYP/6-31+G(d) level of theory. The electronic structure calculations were performed using the same hybrid functional at the B3LYP/6-311++G (d,p) level of theory. The atomic charges were obtained by Mulliken population analysis. Given the reported biological activity, calculated partition coefficients, and electronic and geometric analysis, pentazocine and buprenorphine were chosen as models for proposed analogues. These analogues were then studied and compared with the model molecules. The study reveals that the geometry and electronic structure of the pharmacophore remains consistent in the presence of different substituents. Because the proposed analogues preserve the studied properties of the model molecules, it is likely that these analogues display biological activity.

• The Korean Journal of Pesticide Science
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• v.14 no.1
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• pp.72-77
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• 2010

The minimum structural requirements of R-phenoxy substituents for herbicidal evaluation of O-(2-(R)-phenoxy)-ethyl-N-aralkylcarbamate (1-15) analogues against phytoene desaturase (PDS) based on the three dimensional quantitative structure-activity relationships (3D-QSARs: CoMFA and CoMSIA) were studied quantitatively. The correlativity and predictability ($r^2_{cv.}=0.753$ and $r^2_{ncv.}=0.964$) of the CoMFA 1 model were higher than those of the rest models. The PDS inhibitory activities from the optimized CoMFA 1 model were depend upon the steric field (44.0%), electrostatic field (36.3%), and hydrophobic field (19.6%) of O-(2-(R)-phenoxy)ethyl-Naralkylcarbamate analogues. From the CoMFA contour maps on the structure of the most active compound (5), if it has the steric favor at meta-, para-position on the phenoxy ring, the negative charge favor in meta-position and positive charge favor in the outside part of para-position, the inhibitory activity will be predicted to increase. Also, if ortho-, para-position, and outside of phenoxy ring are hydrophilic favor, and meta-position is hydrophobic favor, it is predicted that the inhibitory activity against PDS will be able to increase.

• Membrane Journal
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• v.24 no.3
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• pp.249-257
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• 2014

This experiment was carried out for a laboratory scale activated sludge bioreactor equipped with submerged flat sheet membrane using the synthetic wastewater. The membrane system for the activated sludge solution of MLSS 5,000 mg/L was operated with constant permeate flux by continuously permeating and periodically 10 minute-permeating/2 minute-resting modes, respectively. The transmembrane pressure was measured as the permeate flux increased from 10 to $25L/m^2{\cdot}hr$ under the constant air flowrate 0.25 L/min. Also, the complete blocking, standard blocking, intermediate blocking, incompressible cake and linear compressible cake fouling models were retrofitted for the experimental data in order to determine the state of the membrane fouling. Because the transmembrane pressure fluctuated as a pulse shape for every period of 10 minute-permeating/2-minute resting mode, the membrane fouling models were separately applied for the maximum and minimum connecting lines. The linear compressible cake fouling model for the activated sludge cakes was the best fitted with the experimental results from the above five models.

• Korean Chemical Engineering Research
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• v.48 no.6
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• pp.784-790
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• 2010

VOCs such as acetone, benzene, toluene, ethylbenzene were adsorbed in a fixed-bed adsorber using zeolite synthesized from coal fly ash and 4 kinds of activated carbon at 101.3 kPa. The adsorber was operated batchwise with the charge of 5 g adsorbent to obtain the breakthrough curve of VOCs. Experiments were carried out at $40^{\circ}C$, nitrogen flow rate of $70cm^3/min$ and sparger temperature of $30^{\circ}C$. The deactivation model was tested for these curves by combining the adsorption of VOCs and the deactivation of adsorbent particles. The observed values of the adsorption rate constant and the deactivation rate constant were evaluated through analysis of the experimental breakthrough data using a nonlinear least square technique. The experimental breakthrough data were fitted very well to the deactivation model than the adsorption isotherm models in the literature. Also, adsorption capacities of adsorbents were obtained from the breakthrough curve to observe the correlation between adsorption capacity and the physical properties of VOCs.

• Applied Biological Chemistry
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• v.48 no.4
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• pp.394-399
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• 2005

The comparative molecular field analyses (CoMFA) models for the herbicidal activities against barnyardgrass (Echinochloa crus-galli) and rice plant (Orysa sativa L.) by the substituent (R) on the hexahydroisoindol-1-one ring in a series of new 2-(4-chloro-5-(2-chloroallyloxy)-2-fluorophenyl)-3-thioalkoxy-2,3,4,5,6,7-hexahydroisoindol-1-one derivatives were conducted and discussed for selectivity between both plants. The statistical results of the two best models (B2 & R7) showed the best predictability for the herbicidal activities based on the cross-validated value $q_2(r^2cv.=0.529{\sim}0.755)$ and none cross-validated value $({r^2}_{ncv.}=0.937{\sim}0.945)$, respectively. Based on the findings, the predictability and fitness of the model (B2) for barnyard grass was better than that of the model (R7) for rice plant. From the two models and contour maps, it is revealed that the novel selective character for herbicidal activity between the two plants depend on the electrostatic field and steric field for the substituent of ortho-positions on the S-phenyl group as R-substituent in hexahydroisoindol-1-one ring.