• Applied Biological Chemistry
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• v.38 no.4
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• pp.359-363
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• 1995

New ten N-[1-(benzotriazol-1-yl)alkyl]aniline(4) derivatives were synthesized and the crystal structure of 4h was shown by X-ray crystallography and the absolute configuration has been assigned as S form. The molecule crystallizes in the monoclinic system, space group $P2_{1}/n$. And the molecules in the crystal are linked with each other through the hydrogen bond $(N_{11}-H_{11}{\cdots}N3)$ with distance $2.300(11){\AA}$ The fungicidal activity($pI_{50}$) in-vitro against Botrytis cineria (BC), Phytophthora casici (PC) and Sclerotium cepinorum (SC) were determined by the agar dilution method. The structure activity ralationships (SAR) between structure of 4 and the activity were studied using a physicochemical parameters of substituents and multiple regression technique. Among these compounds, only the bromo group substituent(4f) showed higher activity, which depend on the hydrophobic(${\pi}$) of substituents. The relative orders of the activity are SC>BC> and PC, respectively. This implies that the activity is affected by the hydrophobic(${\pi}$) nature of the Z group rather than the X group. Linear free energy relationships(LFER) on the fungicidal activity with substituents has been also discussed.

• Korean Journal of Ecology and Environment
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• v.36 no.3 s.104
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• pp.295-303
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• 2003

Sorption kinetics of hydrophobic organic compounds (chlorobenzene and phenanthrene) in natural wetland soils was investigated using laboratory batch adsorbers. One -site mass transfer model (OSMTM) and two compartment first-order kinetic model (TCFOKM) were used to analyze sorption kinetics. Analysis of OSMTM reveals that apparent sorption equilibria were obtained within 10 to 75 hours for chlorobenzene and 2 hours for phenanthrene, respectively. For chlorobenzene, the sorption equilibrium time for surface soil was longer than that of deeper soil presumably due to physico-chemical differences between the soils. For phenanthrene, however, no difference in sorption equilibrium time was observed between the soils. As expected from the number of model parameters involved, the three-parameter TCFOKM was better than the two-parameter OSMTM in describing sorption kinetics, The fraction of fast sorption ($f_1$) and the first-order sorption rate constants for fast ($k_1$)and slow ($k_2$) compartments were determined by fitting experimental data to the TCFOKM. The results of TCFOKM analysis indicate that the sorption rate constant in the fast compartment($k_1$) was much greater than that of slow fraction($k_2$) . The fraction of the fast sorption ($f_1$) and the sorption rate constant in the fast compartment($k_1$) were increasing in the order of increasing $k_{ow}$, phenanthrene > chlorobenzene. The first-order sorption rate constants in the fast ($k_1$) and slow ($k_2$) compartments were found to vary from $10^{-0.1}\;to\;-10^{1.0}$ and from $10^{-4}\;to-10^{-2}$, respectively.

• Textile Coloration and Finishing
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• v.21 no.6
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• pp.1-11
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• 2009

Super-hydrophobic surface, with a water contact angle greater than $150^{\circ}$, has a self cleaning effect termed 'lotus effect'. We introduced super-hydrophobicity onto aramid/rayon mixture fabric with dual-scale structure by assembling silica nano-sol. Mixture fabric was treated with silica nano-sol, fluoric polymer using various parameters such as particle size, concentration. Silica nano-sol size were measured using particle size analyzer. Morphological changes by particle size were observed using field emission scanning electron microscopy(FE-SEM), contact angle measurement equipment. The contact angle of water was about $134.0^{\circ}$, $137.0^{\circ}$, $143.0^{\circ}$, $139.5^{\circ}$ and $139.0^{\circ}$ for mixture fabric coated with 100.2nm, 313.7nm, 558.2nm, 628.5nm and 965.4nm silica nano-sol, compared with about $120.0^{\circ}$ for mixture fabric coated with fluoric polymer. When we mixed particle sizes of 100.2nm and 558.2nm by 7:3 volume ratio, the contact angle of water was about $146.2^{\circ}$. And we mixed particle sizes of 313.7nm and 558.2nm by 7:3 volume ratio, the contact angle of water was about $141.8^{\circ}$. Also we mixed particle sizes of 558.2nm and 965.4nm by 7:3 volume ratio, the best super-hydrophobicity was obtained. In this paper, we fabricated the water-repellent surfaces with various surface structures by using four types of silica nano-sol, and we found that the dual-scale structure was very important for the super-hydrophobicity.

• Journal of the Korean GEO-environmental Society
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• v.2 no.1
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• pp.103-114
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• 2001

Sorption studies were conducted to determine if slow sorption fraction is observed in recent1y deposited organic matter by studying wetland soils explicitly. Sorption characteristics of hydrophobic organic compounds (chlorobenzene and phenanthrene) in recently deposited freshwater marsh soils were determined using a batch sorption procedure. Relative indicators of organic matter age were assessed using several techniques including the ratio of elemental oxygen to carbon in the organic matter. Slow sorption characteristics for both surface marsh soil (top 0-2 cm, <5 years old) and deeper marsh soil (below 10-cm, >20 years old) were compared against relatively older PPI (Petro Processors, Inc. Superfund site) and BM (Bayou Manchac) soils to investigate whether soil age can cause differences in sorption of organic compounds in wetland soils. Increases in sorption non-linearity of slow sorption model parameters (increase in KF and decrease in N) explain the existence of slow sorption fraction. The results of slow sorption model indicates the presence of a sizable slow sorption fraction; 25.4 - 26.3% (chlorobenzene) and 1.4 - 1.9% (phenanthrene) of the sorbed mass in wetland soils and 40.0 - 55.93% (chlorobenzene) and 2.9 - 3.19% (phenanthrene) of the sorbed mass in PPI and BM soils, respectively. The slow sorption fraction increased in the order of surface < deeper < PPI < BM soil indicating that size of the slow sorption fraction increases with soil organic matter age.

• Polymer(Korea)
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• v.29 no.5
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• pp.440-444
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• 2005

An increase in the surface area of drugs by reducing particle sizes from microns to nanometers has been known as an efficient method to improve the bioavailability of water-insoluble drugs. To prevent drug nanoparticles from aggregation during the processes of drug formulation, a limited number of pharmaceutical inactive ingredients such as hydroxypropyl cellulose has been employed as stabilizers or dispersants. In this study, copolymers of hydrophilic and hydrophobic amino acids were synthesized by the ring opening polymerization of their N-carboxyanhydride monomers and evaluated as novel candidates to stabilize the nanoparticles of a water insoluble drug, naproxen. Naproxen nanoparticles stabilized by synthesized amino acid copolymers were successfully prepared in the size of $200\~500nm$ in 60 min by a wet comminution process. Particle size analysis showed that the effective stabilization performance of copolymers required the hydrophobic moiety content to be higher than $10 mol\%$. However, the molecular weight and morphology of copolymers was not the critical parameters in determining the particle size reduction. Their particle size was found to be stable up to 14 days without significant aggregation.

• Proceedings of the Korean Vacuum Society Conference
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• 2012.08a
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• pp.268-268
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• 2012

Atmospheric pressure microwave induced plasmas are used to excite and ionize chemical species for elemental analysis, for plasma reforming, and for plasma surface treatment. Microwave plasma differs significantly from other plasmas and has several interesting properties. For example, the electron density is higher in microwave plasma than in radio-frequency (RF) or direct current (DC) plasma. Several types of radical species with high density are generated under high electron density, so the reactivity of microwave plasma is expected to be very high [1]. Therefore, useful applications of atmospheric pressure microwave plasmas are expected. The surface characteristics of SUS304 stainless steel are investigated before and after surface modification by microwave plasma under atmospheric pressure conditions. The plasma device was operated by power sources with microwave frequency. We used a device based on a coaxial transmission line resonator (CTLR). The atmospheric pressure plasma jet (APPJ) in the case of microwave frequency (880 MHz) used Ar as plasma gas [2]. Typical microwave Pw was 3-10 W. To determine the optimal processing conditions, the surface treatment experiments were performed using various values of Pw (3-10 W), treatment time (5-120 s), and ratios of mixture gas (hydrogen peroxide). Torch-to-sample distance was fixed at the plasma edge point. Plasma treatment of a stainless steel plate significantly affected the wettability, contact angle (CA), and free energy (mJ/$m^2$) of the SUS304 surface. CA and ${\gamma}$ were analyzed. The optimal surface modification parameters to modify were a power of 10 W, a treatment time of 45 s, and a hydrogen peroxide content of 0.6 wt% [3]. Under these processing conditions, a CA of just $9.8^{\circ}$ was obtained. As CA decreased, wettability increased; i.e. the surface changed from hydrophobic to hydrophilic. From these results, 10 W power and 45 s treatment time are the best values to minimize CA and maximize ${\gamma}$.

• Bulletin of the Korean Chemical Society
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• v.32 no.5
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• pp.1604-1612
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• 2011

We developed three-dimensional quantitative structure activity relationship (3D-QASR) models for 17 adamantyl derivatives as P-glycoprotein (P-gp) inhibitors. Eighteen different partial charge calculation methods were tested to check the feasibility of the 3D-QSAR models. Best predictive comparative molecular field analysis (CoMFA) model was obtained with the Austin Model 1-Bond Charge Correction (AM1-BCC) atomic charge. The 3D-QSAR models were derived with CoMFA and comparative molecular similarity indices analysis (CoMSIA). The final CoMFA model ($q^2$ = 0.764, $r^2$ = 0.988) was calculated with an AM1-BCC charge and electrostatic parameter, whereas the CoMSIA model ($q^2$ = 0.655, $r^2$ = 0.964) was derived with an AM1-BCC charge and combined steric, electrostatic, hydrophobic and HB-acceptor parameters. Leave-five-out (LFO) cross-validation was also performed, which yielded good correlation coefficient for both CoMFA (0.801) and CoMSIA (0.656) models. Robustness of the developed models was checked further with 1000 run bootstrapping analyses, which gave an acceptable correlation coefficient for CoMFA (BS-$r^2$ = 0.997, BS-SD = 0.003) and CoMSIA (BS-$r^2$ = 0.996, BS-SD = 0.018).

• Journal of the Korean Society of Groundwater Environment
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• v.2 no.1
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• pp.22-29
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• 1995

Mobile bacterial particles can act as carriers and enhance the transport of hydrophobic contaminants in ground water by reducing retardation effects. Because of their colloidal size and favorable surface conditions, bacteria can act as efficient contaminant carriers. When such carriers exist in a porous medium, the system can be thought of as three phases: an aqueous phase, a carrier phase, and a stationary solid matrix phase. Contaminant can be present in either or all of these phases. In this study, a mathematical model based on mass balances is developed to describe the transport and fate of biodegradable contaminant in a porous medium. Bacterial mass transfer mechanism between aqueous and solid matrix phases, and contaminant mass transfer between aqueous and bacterial phases are represented by kinetic models. Governing equations are non-dimensionalized and solved to analyze the bacteria facilitated contaminant transport. The numerical results of the facilitation effect match favorably with experimental data reported in the literature. Results show that the contaminant transport can be described by local equilibrium assumption when Damkohler numbers are larger than 10. Significant sensitivities to model parameters, particularly bacterial growth rate and influent bacterial concentration, were discovered.

• Applied Biological Chemistry
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• v.47 no.1
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• pp.33-40
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• 2004

Thermodynamic properties of ubiquitin transient folding intermediate were studied by measuring folding kinetics in varying temperatures and denaturant concentrations. Through quantitative kinetic modeling, the equilibrium constant, hence folding free energy, between unfolded state and intermediate state in several different temperatures were calculated. Using these values, the thermodynamic parameters were estimated. The heat capacity change $({\Delta}C_p)$ upon formation of folding intermediate from unfolded state were estimated to be around 80% of the overall folding reaction, indicating that ubiquitin folding intermediate is highly compact. At room temperature, the changes of enthalpy and entropy upon formation of the intermediate state were observed to be positive. The positive enthalpy change suggests that the breaking up of the highly ordered solvent structure surrounding hydrophobic side-chain upon formation of intermediate state. This positive enthalpy was compensated for by the positive entropy change of whole system so that formation of transient intermediate has negative free energy.

• Proceedings of the Korean Society of Soil and Groundwater Environment Conference
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• 2004.04a
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• pp.186-191
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• 2004

Sorption kinetics of 2-chlorophenol(2-ChP), 2,4-dichlorophenol(2,4-DChP) and 2,4,5-trichlorophenol (2,4,5-TChP), onto montmorillonite modified with hexadecyltrimethyl ammonium cations(HDTMA-mont) were investigated. One-site mass transfer model(OSMTM) and two compartment first-order kinetic model(TCFOKM) were used to analyze kinetics. As expected from the number of model parameters involved, the three-parameter TCFOKM was better than the two-parameter OSMTM in describing sorption and desorption kinetics of chlorophenols in HDTMA-mont. For all chlorophenols, the results of OSMTM analysis indicate that the predominant deprotonated speciation(at pH 9.15) exhibited higher mass transfer coefficient( $k_{s}$ ) than the protonated speciation(at pH 4.85). This is because the deprotonated speciation has stronger hydrophobic interaction than protonated speciation. Most sorption completes in three hours. The fraction of the fast sorption and the first-order sorption rate constants for the fast and slow compartments in TCFOKM were determined by fitting experimental data to the TCFOKM. The results of kinetics reveal that the fraction of the fast sorption( $f_1$) and the sorption rate constants in the fast compartments( $k_1$) were in the order 2,4,5-TChP > 2,4-DChP > 2-ChP, which agrees with the magnitude of the $K_{ow}$ . The first-order sorption rate constants in the fast compartment(10$^{0.8}$ - 10$^{1.22}$ h $r^{-1}$ ) were much larger than those in the slow compartment(10$^{-1}$.74/ - 10$^{-2}$.622/ h $r^{-1}$ ).> ).).