• Interaction and multiscale mechanics
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• v.6 no.2
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• pp.127-136
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• 2013

In this study, atomistic simulations are performed to study the effect of Al solute on the behaviour of edge dislocation in Mg alloys. After the dissociation of an Mg basal edge dislocation into two Shockley partials using molecular mechanics, the interaction between the dislocation and Al solute at different temperatures is studied using molecular dynamics. It appears from the simulations that the critical shear stress increases with the Al solute concentration. Comparing with the solute effect at T = 0 K, however, the critical shear stress at a finite temperature is lower since the kinetic energy of the atoms can help the dislocation conquer the energy barriers created by the Al atoms. The velocity of the edge dislocation decreases as the Al concentration increases when the external shear stress is relatively small regardless of temperature. The Al concentration effect on the dislocation velocity is not significant at very high shear stress level when the solute concentration is below 4.0 at%. Drag coefficient B increases with the Al concentration when the stress to temperature ratio is below 0.3 MPa/K, although the effect is more significant at low temperatures.

• Journal of the Korean Chemical Society
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• v.34 no.4
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• pp.377-383
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• 1990

Three kinds of hydrogel membranes were prepared by the copolymerization of 2-hydroxyethylmethacrylate (HEMA) with acrylamide, N, N-dimethylamide and methylmethacrylate in the presence of solvent and crosslinker respectively. The equilibrium water content, relative permeability and partition coefficient of the membranes for alcohol solutes were measured. It has been found that the permeation of organic solute occurs through the water-filled regions in the hydrogel membrane, and that the gpermeability coefficient of organic solute depends on the molecular size. But the permeability of organic solute was controlled by the interaction of solute-membrane at the low water content. By the partition data, it has been shown that the partition of solute is only controlled by hydrophobic interaction between solute and membrane. The diffusion coefficient data were interpreted on the basis of water-solute interaction. It has been found that the diffusion of organic solute is determined by the free volume of water in the membrane, and that hardly depends on polarity-polarizability and hydrogen bonding ability between water and solute.

• Journal of Korea Foundry Society
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• v.25 no.1
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• pp.36-39
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• 2005

The thermodynamic analysis of deoxidation in molten coppyr by Fe has been made. Equilibrium oxygen solubility saturated with FeO in Cu-Fe-O system has been derived without and with consideration of the solute interaction between Fe and O. The derived relationship of oxygen contents with Fe has been compared with the experimental results done by Kulkarni and the minimum oxygen solubility could be predicted by a simple first order interaction method, Wagner model.

• Archives of Pharmacal Research
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• v.12 no.1
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• pp.58-61
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• 1989

Studies of selectivity of hydrogen bond formation in chiral solute-solvent systems have been performed by $^1H\;and\;^{13}C$ nuclear magnetic resonance techniques. These data are correlated with the results of gas chromatographic investigations of the same systems. Interactions between the optically active solvent(N-(N-benzoyl-L-amino acid)-anilide) and optically active solute (N-trifluoroacetyl -L-alanyl isopropyl ester) were examined. NMR evidence indicated that hydrogen bonding interaction occurred between two N-H portion and on peptidyl carbonyl portion in stationary phase and solute molecule on three points. The association constants of solvent-solute interaction were calculated and the structure of the diastereomeric association complex between N-(N-benzoyl-L-valyl)-anilide and N-TFA-L-alanyl isopropyl ester was proposed.

• Bulletin of the Korean Chemical Society
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• v.10 no.1
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• pp.34-39
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• 1989

The relationship between the solute retention and physical parameters describing the interaction between the solute and mobile phase was investigated to predict the solute retention easily in RPLC. The retention data of monosubstituted benzenes were measured on the $\mu$-Bondapak C18 and phenyl columns with methanol-water systems. The linear relationship between dielectric increment($\epdilon'$) and retention data was observed. When the solute form hydrogen bonding with solvent molecules, the slope of the ln k' vs. $\epdilon'$ plot is changed as the compositions is varied. The quadric relationship between mixed solvent solubility parameter ($\delta$M) and retention data was observed.

• Membrane and Water Treatment
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• v.6 no.2
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• pp.127-139
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• 2015

Rejection of ionic solutes by reverse osmosis (RO) and nanofiltration (NF) membranes is controlled mainly by electrochemical interaction as well as pore size, but it is very difficult to directly evaluate such electrochemical interaction. In this work, we used an inverse HPLC method to investigate the interaction between ionic solutes and poly (m- phenylenediaminetrimesoyl) (PPT), a polymer similar to the skin layer of polyamide RO and NF membranes. Silica gel particles coated with PPT were used as the stationary phase, and aqueous solutions of the ionic solutes were used as the mobile phase. Chromatographs obtained for the ionic solutes showed features typical of exclusion chromatographs: the ionic solutes were eluted faster than water (mobile phase), and the exclusion intensity of the ionic solute decreased with increasing solute concentration, asymptotically approaching a minimum value. The charge density of PPT was estimated to be ca. 0.007 mol/L. On the basis of minimum exclusion intensity, the exclusion distances between a salt and neutralized PPT was examined, and the following average values were obtained: 0.49 nm for 1:1 salts, 0.57 nm for 2:1 salts, 0.60 nm for 1:2 salts, and 0.66 nm for 2:2 salts. However, $NaAsO_2$ and $H_3BO_3$, which are dissolved at neutral pH in their undissociated forms, were not excluded.

• Bulletin of the Korean Chemical Society
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• v.26 no.8
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• pp.1246-1250
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• 2005

We have evaluated the hydroxyl group-solvent specific interactions by using a Lichrosorb RP18 stationary phase and by measuring the retention data of carefully selected solutes in 50/50, 60/40, 70/30, 80/20, and 90/10(v/v%) methanol/water eluents at 25, 30, 35, 40, 45, and 50 ${^{\circ}C}$. The selected solutes are 3 positional isomers of phenylpropanol, that is, 1-phenyl-1-propanol, 1-phenyl-2-propanol, and 3-phenyl-1-propanol. There exist clear discrepancies in ${\Delta}H^o$ (solute transfer enthalpy from the mobile to the stationary phase) and $T{\Delta}S^o$ (solute transfer entropy) among positional isomers. The difference in ${\Delta}H^o$ and $T{\Delta}S^o$ between secondary alcohols (1-phenyl-1-propanol and 1-phenyl-2-propanol)is negligible compared to the difference between the primary alcohol (1-phenyl-3-propanol) and secondary alcohols. The $T{\Delta}S^o$ values of 3-phenyl-1-propanol are close to those of butylbenzene while the $T{\Delta}S^o$ values of secondary alcohols are close to those of propylbenzene. The difference in ${\Delta}{\Delta}H^o$ (specific solute-mobile phase interaction enthalpy) between the primary alcohol and the secondary alcohol decreases with increase of methanol content in the mobile phase. A unique observation is an extremum for 1-phenyl-3-propanol in the plot of $T{\Delta}{\Delta}S^o$ vs. methanol volume %. The positive sign of $T{\Delta}{\Delta}S^o$ of 3-phenyl-1-propanol implies that the entropy of 3-phenyl-1-propanol is greater than that of the hypothetical alkylbenzene (the same size and shape as phenylpropanol) in the mobile phase.

• Toxicological Research
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• v.23 no.1
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• pp.1-9
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• 2007

Transporters are membrane proteins that mediate the transfer of substrate across the cellular membrane. In this overview, the characteristics and the toxicological relevance were discussed for various types of transporters. For drug transporters, the overview focused on ATP-binding cassette transporters and solute carrier family 21A/22A member transporters. Except for OCTN transporters and OATP transporters, drug transporters tend to have broad substrate specificity, suggesting drug-drug interaction at the level of transport processes (e.g., interaction between methotrexate and non-steroidal anti-inflammatory agents) is likely. For metal transporters, transporters for zinc, copper and multiple metals were discussed in this overview. These metal transporters have comparatively narrow substrate specificity, except for multiple metal transporters, suggesting that inter-substrate interaction at the level of transport is less likely. In contrast, the expressions of the transporters are often regulated by their substrates, suggesting cellular adaptation mechanism exists for these transporters. The drug-drug interactions in drug transporters and the cellular adaptation mechanisms for metal transporters are likely to lead to alterations in pharmacokinetics and cellular metal homeostasis, which may be linked to the development of toxicity. Therefore, the transporter-mediated alterations may have toxicological relevance.

• Journal of the Korean Chemical Society
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• v.52 no.2
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• pp.186-196
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• 2008

purpose of this study was to investigate college students' understanding of the thermodynamic aspects of the dissolution of solids and gases. The subjects were 34 juniors from the Seoul area who answered questionnaires composed of six items which asked the directions and reasons for the changes in enthalpy, entropy, and the solubility by temperature for the dissolution of solid sodium chloride and gaseous carbon dioxide into water. The results showed that the students understanding of the enthalpy change of dissolution was poor: many students answered that the dissolution of solids is an exothermic process because the dissolution occurs when the solute-solvent interaction is greater than the solute-solute interaction; the students also thought that the enthalpy should be reduced for spontaneous dissolution because the spontaneity depends on the enthalpy change only. For the entropy change, the students understanding was better and they explained it according to the meaning of disorder. For the temperature dependence of solubility, most students answered correctly regarding the direction, but only 25% of them explained the reason accounting for the enthalpy change. Many students who answered incorrectly on the enthalpy change could not explain the reason why.

• Membrane and Water Treatment
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• v.5 no.3
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• pp.171-182
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• 2014

Organic compounds are adsorbed on RO/NF membranes, and the adsorption may influence the rejection of organic compounds by the membranes. Because almost RO/NF membranes are composite membranes, the results obtained by adsorption experiment with using membrane pieces are unable to avoid the influence by the support membrane. In this work, the interaction between membrane polymer and organic solutes was examined by an inverse HPLC methodology. Poly (m-phenylenetrimesoylate), the constituent of skin layer of RO/NF membranes, was coated on silica gel particles and used as a stationary phase for HPLC. When water was used as a mobile phase, almost hydrophilic aliphatic compounds were not effectively adsorbed on the stationary phase, although hydrophobic compounds were slightly adsorbed. The results indicated that the hydrophilic aliphatic compounds are useful probe solutes to examine the molecular sieving effect of a membrane. When water was used as a mobile phase, the aromatic compounds were strongly retained, and therefore $CH_3CN/H_2O$ (30/70) was used as a mobile phase. It was revealed that the adsorption of aromatic compounds was controlled by stacking between solute and polymer and was hindered by non-planar structure and substituents.