• Bulletin of the Korean Chemical Society
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• v.30 no.6
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• pp.1309-1312
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• 2009

Surface potential and growth processes of hexadecanethiol (HDT) self-assembled monolayers (SAMs) on Au(111) surfaces were examined by Kelvin probe method and scanning tunneling microscopy. It was found that surface potential strongly depends on surface structure of HDT SAMs. The surface potential shift for the striped phase of HDT SAMs chemisorbed on Au(111) surface was +0.45 eV, which was nearly the same as that of the flat-lying hexadecane layer physisorbed on Au(111) surface. This result indicates that the interfacial dipole layer induced by adsorption of alkyl chains is a main contributor to the surface potential change. In the densely-packed HDT monolayer, further change of the surface potential was observed, suggesting that the dipole moment of the alkanethiol molecules is an origin of the surface potential change. These results indicate that the work function of a metal electrode can be modified by controlling the molecular orientation of an adsorbed molecule.

• Bulletin of the Korean Chemical Society
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• v.34 no.6
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• pp.1771-1778
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• 2013

For the excited states of a hydrogen molecule up to n = 3 active spaces, potential energy curves (PECs) are obtained for values of the internuclear distance R in the interval [0.5, 10] a.u. within an accuracy of $1{\times}10^{-4}$ a.u. (Hartree) compared to the accurate PECs of Kolos, Wolniewicz, and their collaborators by using the multi-reference configuration-interaction method and Kaufmann's Rydberg basis functions. It is found that the accuracy of the PECs can be further improved beyond $1{\times}10^{-4}$ a.u. for that R interval by including the Rydberg basis functions with angular momentum quantum numbers higher than l = 4.

• Asian Pacific Journal of Cancer Prevention
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• v.15 no.10
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• pp.4301-4305
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• 2014

Tanshinone IIA is a pharmacologically active ingredient extracted from Danshen, a Chinese traditional medicine. Its molecular mechanisms are still unclear. The present study utilized computational approaches to uncover the potential targets of this compound. In this research, PharmMapper server was used as the inverse docking tool andnd the results were verified by Autodock vina in PyRx 0.8, and by DRAR-CPI, a server for drug repositioning via the chemical-protein interactome. Results showed that the retinoic acid receptor alpha ($RAR{\alpha}$), a target protein in acute promyelocytic leukemia (APL), was in the top rank, with a pharmacophore model matching well the molecular features of Tanshinone IIA. Moreover, molecular docking and drug repurposing results showed that the complex was also matched in terms of structure and chemical-protein interactions. These results indicated that $RAR{\alpha}$ may be a potential target of Tanshinone IIA for APL. The study can provide useful information for further biological and biochemical research on natural compounds.

• Bulletin of the Korean Chemical Society
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• v.26 no.6
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• pp.899-902
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• 2005

Indirect electrochemical oxidation of phenol by $Ce^{4+}$ was investigated in sulfuric acid solutions. It was found that electrode fouling during oxidation of phenol can be controlled by adjusting the time interval (TI) of double potential steps (DPSs). While the electroactivity was greatly decreased after several DPSs of a relatively long TI, repeated DPSs with a short potential pulse showed substantial amounts of electroactivity after a few hundreds or thousands DPS, suggesting that the formation of an insulating layer can be controlled by adjusting a potential program. Effectiveness of the consecutive application of DPSs for phenol decomposition was confirmed by GC-MS.

• Journal of Industrial and Engineering Chemistry
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• v.67
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• pp.123-131
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• 2018

Using mixed nonionic surfactants Span/Tween, we investigated the effects of HLB value on the O/W emulsion stability and rheological behaviors. In this study, MS-01 (Span 60 & Tween 60) and MS-02 (Span 80 & Tween 80) was used as mixed nonionic surfactants. We considered required HLB value 10.85 and selected corresponding HLB value range 8-13. The droplet size distributions, droplet morphology, rheological properties, zeta-potential and creaming index of the emulsion samples were obtained to understand the mechanism and interaction of droplets in O/W emulsion. The results indicated that optimal HLB number for O/W emulsions was 10.8 and 10.7, while using MS-01 surfactant and MS-02 surfactant respectively. MS-01 (HLB = 10.8) sample and MS-02 (HLB = 10.7) sample showed smallest droplet size and highest zeta-potential value. Rheological properties are measured to understand rheological behaviors of emulsion samples. All emulsion samples showed no phase separation until 30 days storage time at $25^{\circ}C$.

• Journal of Electrochemical Science and Technology
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• v.12 no.2
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• pp.167-172
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• 2021

he progressively improved sensing sensitivity (∆λ_SPR/∆n, nm/RIU) to detect the refractive index is observed on the SPR platform of an Au-covered epoxy gratings in an increase in potential cycling in a typical three-electrode cell. Here, a DVD-R optical disc was used as a structure template to prepare an Au-covered epoxy gratings, and the newly formed reverse track pitch structure on the epoxy substrate was used as a working electrode directly in aqueous sulfuric acid solution. It is expected that Au reconstruction by potential cycling in sulfuric acid electrolyte increases the packing density of Au atoms in the grain boundary and improves the propagation of electromagnetic waves.

• Bulletin of the Korean Chemical Society
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• v.30 no.2
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• pp.499-501
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• 2009

• Bulletin of the Korean Chemical Society
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• v.33 no.12
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• pp.3939-3940
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• 2012

• Bulletin of the Korean Chemical Society
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• v.30 no.3
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• pp.700-702
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• 2009

• Bulletin of the Korean Chemical Society
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• v.17 no.1
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• pp.90-93
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• 1996