• Journal of Integrative Natural Science
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• v.5 no.3
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• pp.190-194
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• 2012

Human P-gp is one of the protein responsible for the multidrug resistance (MDR) develpment. MDR is a major cause of the cancer chemotherapy. In this paper, we performed homology modeling, docking study of papayriferic acid into the P-gp nucleotide binding domain (NBD2). For human P-gp, X-ray crystal structure is not known yet. We developed homology model for human NBD2 using HlyB ABC transporter structure (PDB code: 1XEF, resolution 2.5 ${\AA}$). Docking study was performed using Autodock. Docking result was analyzed, which shows that ligand docks into steroid binding site and interacts through hydrophobic and hydrophilic interactions.

• Journal of Integrative Natural Science
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• v.5 no.1
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• pp.18-21
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• 2012

The resistance of tumour cells against cytotoxic drug is significant limitation in successful chemotherapeutic treatment of cancer. To date, no crystal structure is available for human P-gp. We developed homology model for human P-gp NBD2 by using coordinates of transporter associated protein (TAP1). Docking study was performed for 8-geranyl-chrysin (Flavonoids) inhibitor in the NBD2 model. Ligand-protein interactions were determined which indicates that the 8-geranyl chrysin shares two overlapping sites in the cytosolic domains of P-gp, the ATP site and a hydrophobic steroid-binding site.

• Journal of Integrative Natural Science
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• v.6 no.4
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• pp.205-210
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• 2013

Human P-gp is a protein responsible for the multidrug resistance (MDR) and causes failure of cancer chemotherapy. Till date no X-ray crystal structure is reported for this membrane protein, which hampers active research in the field. We performed homology modeling to develop three dimensional (3D) model of P-gp, and docking studies of the verapamil and curcumin have been performed to gain insight into the interaction mechanism between inhibitors and P-gp. It was identified that the inhibitors docked into the upper part of P-gp and interacted through the hydrophobic interactions.

• Bulletin of the Korean Chemical Society
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• v.5 no.5
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• pp.182-187
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• 1984

The polarographic and conductometric studies of methyl viologen $(MV^{++})$ solutions with varying concentration of sodium dodecyl sulfate (SDS) showed strong association of $MV^{++}$ and its cationic radical, $MV^+$., with SDS below the critical micelle concentration. The stoichiometries of these associations were found to be their electric charge ratios. Both electrostatic and hydrophobic interactions were found to contribute to the associations. The formation constant of$MV^+.DS^-$ in 0.1 M NaCl was $7{\times}10^3M$. The $MV^{++}$-SDS association was observed to be cooperative leading to formation of large aggregates. In the presence of $MV^{++}$, the micellization of SDS was formation of SDS homo-micelle without direct involvement of $MV^{++}$.

• Journal of Industrial and Engineering Chemistry
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• v.67
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• pp.316-325
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• 2018

Aluminum based metal-organic framework using a di-carboxylate linker succinic acid (Al-SA MOF), are synthesized in water with minimal generation of secondary pollutants. The physicochemical properties of Al-SA MOF were examined, followed by its utility for the adsorption of Acid Black 1 (AB1) in aqueous media. Influences of key parameters such as pH, contact time, initial AB1 concentration,temperature, and selectivity on the adsorption process were assessed. A series of adsorption mechanisms are proposed, which involve electrostatic, hydrogen bonding, and hydrophobic interactions. These findings suggest that Al-SA MOF is a potent candidate in removing complex azo dyes molecules from aqueous media.

• Journal of Korean Society of Water and Wastewater
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• v.28 no.4
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• pp.419-429
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• 2014

Recent studies have been reported the presence of Endocrine Disrupting Compounds, Pharmaceuticals and Personal Care Products (EDC/PPCPs) in surface and wastewater, which could potentially affect to the complicate behavior in coupled presence of nano-colloid particles and surfactants (adsorption, dispersion, and partitioning). In this study, the adsorption of EDC/PPCPs by Single Walled Carbon Nanotubes (SWNTs) as a representative of nano-particles in cationic surfactant solutions were investigated. Hydrophobic interactions (${\pi}-{\pi}$ Electron Donor-Acceptor) have been reported as a potential adsorption mechanisms for EDC/PPCPs onto SWNTs. Generally, the adsorptive capacity of the relatively hydrophobic EDC/PPCPs onto SWNTs decreased in the presence of cationic surfactant (Cetyltrimethyl Ammonium Bromide, CTAB). This study revealed that the competitive adsorption occurred between CTAB cations and EDC/PPCPs by occupying the available SWNT surface (CTAB adsorption onto SWNTs shows five-regime and maximum adsorption capacity of 370.4 mg/g by applying the BET isotherm). The adsorption capacity of $17{\alpha}$-ethinyl estradiol (EE2) on SWNT showed the decrease of 48% in the presence of CTAB. However, the adsorbed naproxen (NAP) surely increased by forming hemimicelles and resulted in a favorable media formation for NAP partition to increase SWNTs adsorption capacity. The adsorbed NAP increased from 24 to 82.9 mg/g after the interaction of CTAB with NAP. The competitive adsorption for EDC/PPCPs onto SWNTs is likely to be a key factor in the presence of cationic surfactant, however, NAP adsorption showed a slight competition through $CH_3-CH_3$ interaction by forming hemimicelles on SWNT surface.

• International Journal of Oral Biology
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• v.37 no.4
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• pp.181-188
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• 2012

As the demand for large-scale analysis of gene expression using DNA arrays increases, the importance of the surface characterization of DNA arrays has emerged. We compared the efficiency of molecular biological applications on solid-phases with different surface polarities to identify the most optimal conditions. We employed thiol-gold reactions for DNA immobilization on solid surfaces. The surface polarity was controlled by creating a self-assembled monolayer (SAM) of mercaptohexanol or hepthanethiol, which create hydrophilic or hydrophobic surface properties, respectively. A hydrophilic environment was found to be much more favorable to solid-phase molecular biological manipulations. A SAM of mercaptoethanol had the highest affinity to DNA molecules in our experimetns and it showed greater efficiency in terms of DNA hybridization and polymerization. The optimal DNA concentration for immobilization was found to be 0.5 ${\mu}M$. The optimal reaction time for both thiolated DNA and matrix molecules was 10 min and for the polymerase reaction time was 150 min. Under these optimized conditions, molecular biology techniques including DNA hybridization, ligation, polymerization, PCR and multiplex PCR were shown to be feasible in solid-state conditions. We demonstrated from our present analysis the importance of surface polarity in solid-phase molecular biological applications. A hydrophilic SAM generated a far more favorable environment than hydrophobic SAM for solid-state molecular techniques. Our findings suggest that the conditions and methods identified here could be used for DNA-DNA hybridization applications such as DNA chips and for the further development of solid-phase genetic engineering applications that involve DNA-enzyme interactions.

• Applied Chemistry for Engineering
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• v.20 no.5
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• pp.561-564
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• 2009

Filter media finely interspersed with activated carbons were prepared by a needle punching process without using chemical binders. Their characteristics were investigated efficiently to abate environmentally harmful gas such as acetaldehyde, and were compared with those of cabin air filter coated with activated carbons by using chemical binders. These combination filters were installed on a vehicle fan placed in a test chamber of capacity similar to the interior volume of a commercially available passenger car, and the efficiency of acetaldehyde abatement was measured as a function of time. The filter utilizing chemical binders showed somewhat better performance for the elimination of acetaldehyde despite the adverse effect of the chemical binder that would clog the micropores of the activated carbons. It turned out that the needle punching process had the activated carbons agglomerated due to hydrophobic interactions, resulting in a relatively larger void area than that of the filter utilizing chemical binders.

• Journal of the Korean Chemical Society
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• v.55 no.2
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• pp.163-168
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• 2011

The variations of molar conductivity of various surfactants such as sodium caprylate, sodium laurate, sodium palmitate, sodium stearate, sodium oleate, sodium dodecyl sulphate, and lithium dodecyl sulphate with concentrations of the surfactants for each of the solutions consisting of mixtures of varying concentrations of N-methyl acetamide in water at constant temperature of $30{\pm}0.2^{\circ}C$ were studied. The critical micelle concentration (CMC) for each surfactant is measured. It is found that the CMC values in mixtures of N-methyl acetamide and water solutions of various surfactants are lower than the CMC values in water, and the driving force for micelle formation correlates with solvophobicity. The surfactant-solvent interactions that drive amphiphilic self-organization in N-methyl acetamide in water are discussed. Thermodynamic parameters were evaluated for micellar system to explain the results.

• Korean Journal of Microbiology
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• v.55 no.1
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• pp.9-16
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• 2019

Acetoin is generated by numerous microorganisms using ${\alpha}$-acetolactate decarboxylase (ALDC) to prevent overacidification of cells and their environment and to store remaining energy. Because acetoin has been used as a safe flavor enhancer in food products, industries have been interested in biotechnological production of acetoin using ALDC. ALDC is a metal-dependent enzyme that produces acetoin from ${\alpha}$-acetolactate through decarboxylation reaction. Here, we report the crystal structure of ALDC from Bacillus subtilis subspecies spizizenii (bssALDC) at $1.7{\AA}$ resolution. bssALDC folds into a two-domain ${\alpha}/{\beta}$ structure where two ${\beta}$-sheets form a central core. bssALDC assembles into a dimer through central hydrophobic interactions and peripheral hydrophilic interactions. bssALDC coordinates a zinc ion using three histidine residues and three water molecules. Based on comparative analyses of ALDC structures and sequences, we propose that the active site of bssALDC includes the zinc ion and its neighboring bssALDC residues.