• Bulletin of the Korean Chemical Society
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• v.26 no.5
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• pp.769-775
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• 2005

An efficiency of Monte Carlo (MC) docking simulations was examined for the prediction of chiral discrimination by cyclodextrins. Docking simulations were performed with various computational parameters for the chiral discrimination of a series of 17 enantiomers by $\beta$-cyclodextrin ($\beta$-CD) or by 6-amino-6-deoxy-$\beta$-cyclodextrin (am-$\beta$-CD). A total of 30 sets of enantiomeric complexes were tested to find the optimal simulation parameters for accurate predictions. Rigid-body MC docking simulations gave more accurate predictions than flexible docking simulations. The accuracy was also affected by both the simulation temperature and the kind of force field. The prediction rate of chiral preference was improved by as much as 76.7% when rigid-body MC docking simulations were performed at low-temperatures (100 K) with a sugar22 parameter set in the CHARMM force field. Our approach for MC docking simulations suggested that the conformational rigidity of both the host and guest molecule, due to either the low-temperature or rigid-body docking condition, contributed greatly to the prediction of chiral discrimination.

• Advances in nano research
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• v.6 no.1
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• pp.1-19
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• 2018

Iron oxide nanoparticles excite researcher interest in biomedical applications due to their low cost, biocompatibility and superparamagnetism properties. Magnetic iron oxide especially magnetite ($Fe_3O_4$) possessed a superparamagnetic behaviour at certain nanosize which beneficial for drug and gene delivery, diagnosis and imaging. The properties of nanoparticles mainly depend on their synthesis procedure. There has been a massive effort in developing the best synthetic strategies to yield appropriate physico-chemical properties namely co-precipitation, thermal decomposition, microemulsions, hydrothermal and sol-gel. In this review, it is discovered that magnetite nanoparticles are best yielded by co-precipitation method owing to their simplicity and large production. However, its magnetic saturation is within range of 70-80 emu/g which is lower than thermal decomposition and hydrothermal methods (80-90 emu/g) at 100 nm. Dimension wise, less than 100 nm is produced by co-precipitation method at $70^{\circ}C-80^{\circ}C$ while thermal decomposition and hydrothermal methods could produce less than 50 nm but at very high temperature ranging between $200^{\circ}C$ and $300^{\circ}C$. Thus, co-precipitation is the optimum method for pre-compliance magnetite nanoparticles preparation (e.g., 100 nm is fit enough for biomedical applications) since thermal decomposition and hydrothermal required more sophisticated facilities.

• Bulletin of the Korean Chemical Society
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• v.32 no.6
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• pp.2003-2007
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• 2011

We report a highly sensitive surface-enhanced Raman scattering (SERS) platform for the selective trace analysis of mercury (II) ions in drinkable water using aptamer-conjugated silver nanoparticles. Here, an aptamer designed to specifically bind to $Hg^{2+}$ ions in aqueous solution was labelled with a TAMRA moiety at the 5' end and used as a Raman reporter. Polyamine spermine tetrahydrochloride (spermine) was used to promote surface adsorption of the aptamer probes onto the silver nanoparticles. When $Hg^{2+}$ ions are added to the system, binding of $Hg^{2+}$ with T-T pairs results in a conformational rearrangement of the aptamer to form a hairpin structure. As a result of the reduced of electrostatic repulsion between silver nanoparticles, aggregation of silver nanoparticles occurs, and the SERS signal is significantly increased upon the addition of $Hg^{2+}$ ions. Under optimized assay conditions, the concentration limit of detection was estimated to be 5 nM, and this satisfies a limit of detection below the EPA defined limit of 10 nM in drinkable water.

• Bulletin of the Korean Chemical Society
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• v.32 no.4
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• pp.1341-1345
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• 2011

A novel ruthenium(II) complex, [$RuCl_2(DMSO)_2$(PhenTPy)] has been synthesized by the condensation of $RuCl_2(DMSO)_4$ with (1-(1,10-phenanthrolinyl)-2,5-di(2-thienyl)-1H-pyrrole)[PhenTPy] in $CHCl_3$ solution. The [$RuCl_2(DMSO)_2$(PhenTPy)] complex modified electrode was fabricated through the electropolymerization of the monomer in a 0.1 M tetrabutylammonium perchlorate (TBAP)/$CH_2Cl_2$ solution, to take advantage of the electronic communication between metal ion center by the conjugated backbone. The UV-visible spectroscopy (UV), mass spectrometry (MS), and cyclic voltammetry (CV) were employed to characterize the [$RuCl_2(DMSO)_2$(PhenTPy)] complex and its polymer (poly-Ru(II)Phen complex). The poly-Ru(II)Phen complex modified electrode exhibited an electrocatalytic activity to the oxidation of acetaminophen and the catalytic property was used for the analysis of acetaminophen at the concentration range between 0.09 and 0.01 mM in a phosphate buffer solution (pH 7.0).

• Journal of the Korea Institute of Information and Communication Engineering
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• v.14 no.9
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• pp.2065-2070
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• 2010

The diluted PMMA treated $SiO_2$ films as an passivation materials for semiconductor devices was researched by using the FTIR spectra. The diluted PMMA solution with various ratios changed the surface of $SiO_2$ film as the hydrophilic, hydrophobic or hybrid type properties. The sample 7 with little carbon content showed dramatically the chemical variation by the FTIR spectra analysis. Beacuse the little carbon with electrons decreased the polarity and surface energy on the $SiO_2$ film, and then became a stable bonding structure and decreased the leakage current. The FTIR spectra can define the detail variation due to the chemical reaction on the organic thin film, and help to research the characteristic of the organic materials.

• Journal of the Korea Institute of Information and Communication Engineering
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• v.14 no.6
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• pp.1465-1468
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• 2010

The wet etching is a process using chemical solution and occurring chemical reaction on substrate surface. when we do wet etching process, we have to consider stoichiometry, etching time and temperature of etchant for good resolution. In this experiment, we used Cr, Al andIndium-tin-oxide (ITO) metal and we deposited them with DC sputtering machine. The Cr thin film metal thickness is about $1300{\AA}$, ITO films show a low electrical resistance and high transmittance in the visible range of an optical spectrum and Ai film is used for signal line. We measured and analysed wet etching properties on the metal thin films.

• Rapid Communication in Photoscience
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• v.4 no.2
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• pp.45-47
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• 2015

We have successfully synthesized $AgInS_2$ core and $AgInS_2$/ZnS core/shell nanoparticles by the sonochemical method. The ultrasonic based $AgInS_2$ and $AgInS_2$/ZnS nanoparticle synthesis can be utilized as a simple and rapid method. The $AgInS_2$/ZnS nanoparticles show the higher fluorescence intensity and quantum yield than $AgInS_2$ nanoparticles. Fluorescence wavelength of $AgInS_2$/ZnS shows blue shift from 635 nm to 610 nm against $AgInS_2$ because of reducing the defect sites and increasing spatial confinements. For the fluorescence lifetime, $AgInS_2$/ZnS (124.8 ns) has longer lifetime than $AgInS_2$ (54.8 ns).

• Bulletin of the Korean Chemical Society
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• v.35 no.8
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• pp.2471-2476
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• 2014

The aim of the present study is to explore the possibility of utilizing loess for the adsorption of total phosphorous (T-P) and total nitrogen (T-N) in water. Batch adsorption studies were performed to evaluate the influences of various factors like initial concentration, contact time and temperature on the adsorption of T-P and T-N. The adsorption data showed that loess is not effective for the adsorption of T-N. However, loess exhibited much higher adsorption capacity for T-P. At concentration of $1.0mgL^{-1}$, approximately 97% of T-P adsorption was achieved by loess. The equilibrium data were fitted well to the Langmuir isotherm model. The pseudo-second-order kinetic model appeared to be the better-fitting model because it has higher $R^2$ compared with the pseudo-first-order and intra-particle kinetic model. The theoretical adsorption equilibrium $q_{e,cal}$ from pseudo-second-order kinetic model was relatively similar to the experimental adsorption equilibrium $q_{e,exp}$. The thermodynamic parameters such as free energy ${\Delta}G$, the enthalpy ${\Delta}H$ and the entropy ${\Delta}S$ were also calculated.

• Journal of the Korean Society of Safety
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• v.30 no.6
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• pp.117-121
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• 2015

$O_2$-deficiency related accidents occur every year and the most effective way to prevent them is to measure $O_2$ concentration in air with a properly-calibrated $O_2$ monitoring device before entering low-$O_2$ areas. An electro-chemical sensor, Texas Instrument gas platform, and iPhone are used to construct a smartphone-based $O_2$ monitoring device. The smartphone based $O_2$ measuring approach offers advantages of small size, accessibility, internet-connectivity, and programmability in comparison to conventional $O_2$ measuring devices. Multiple gas sensors can be conveniently interfaced to single smartphone, allowing for creating a network of gas sensors distributed across workplaces and remote monitoring via existing mobile communication network. To check proper function of the $O_2$ monitoring device the sensor was exposed to shallow and deep human breaths. The readings decreased immediately after being exposed to exhalation and recovered during inhalation to a calibrated level of 20.9%. When readings decreased below a preset warning value of 19.5%, a low $O_2$ warning was successfully activated on the smartphone.

• ETRI Journal
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• v.32 no.3
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• pp.440-446
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• 2010

Array-based gas sensors now offer the potential of a robust analytical approach to odor measurement for medical use. We are developing a fast reliable method for detection of microbial infection by monitoring the headspace from the infected wound. In this paper, we present initial results obtained from wound-state monitoring for burn patients using an electronic nose incorporating an automated solid-phase microextraction (SPME) desorption system to enable the system to be used for clinical validation. SPME preconcentration is used for sampling of the headspace air and the response of the sensor module to variable concentrations of volatiles emitted from SPME fiber is evaluated. Gas chromatography-mass spectrometry studies prove that living bacteria, the typical infectious agents in clinical practice, can be distinguished from each other by means of a limited set of key volatile products. Principal component analysis results give the first indication that infected patients may be distinguished from uninfected patients. Microbial laboratory analysis using clinical samples verifies the performance of the system.