• Bulletin of the Korean Chemical Society
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• v.32 no.3
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• pp.988-992
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• 2011

$CO_2$ adsorption on mineral sorbents has a potential to sequester $CO_2$. This study used a density functional theory (DFT) study of $CO_2$ adsorption on barium oxide (BaO) in the presence of $H_2O$ to determine the role of $H_2O$ on the $CO_2$ adsorption properties on the ($2{\times}2$; $11.05\;{\AA}{\times}11.05\;{\AA}$) BaO (100) surface because BaO shows a high reactivity for $CO_2$ adsorption and the gas mixture of power plants generally contains $CO_2$ and $H_2O$. We investigated the adsorption properties (e.g., adsorption energies and geometries) of a single $CO_2$ molecule, a single $H_2O$ molecule on the surface to achieve molecular structures and molecular reaction mechanisms. In order to evaluate the coordinative effect of $H_2O$ molecules, this study also carried out the adsorption of a pair of $H_2O$ molecules, which was strongly bounded to neighboring (-1.91 eV) oxygen sites and distant sites (-1.86 eV), and two molecules ($CO_2$ and $H_2O$), which were also firmly bounded to neighboring sites (-2.32 eV) and distant sites (-2.23 eV). The quantum mechanical calculations show that $H_2O$ molecule does not influence on the chemisorption of $CO_2$ on the BaO surface, producing a stable carbonate due to the strong interaction between the $CO_2$ molecule and the BaO surface, resulting from the high charge transfer (-0.76 e).

• Proceedings of the Korean Vacuum Society Conference
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• 2016.02a
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• pp.126-126
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• 2016

Understanding adsorption behavior organic molecules at oxide surfaces is very important for the application of organic-inorganic hybrid materials. Recently, monoethanolamine (MEA) adsorbed on $TiO_2$ surface has received great interests because it can lower the work function of $TiO_2$ in photo-electronic devices such as OLED and solar cells. In this study, we investigated the role of surface defects in adsorption behaviors of MEA at the rutile $TiO_2$ (110) surface by combined study of scanning tunneling microscopy and density functional theory calculations. Our results revealed that oxygen vacancy is the most stable adsorption site for MEA on $TiO_2$ (110) surface at low coverage. As coverage increases, the oxygen vacancies are occupied with the molecules and MEA molecules start to adsorb at Ti rows at higher coverages. Our results show that the defects at oxide surfaces and the intermolecular interactions are important factors for determining stable adsorption structure of MEA at $TiO_2$ (110) surfaces.

• Biotechnology and Bioprocess Engineering:BBE
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• v.6 no.4
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• pp.293-300
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• 2001

A polyrotaxane-biotin conjugate was synthesized and its interaction with streptavidin measured using surface plasmon resonance(SPR) detection. A biodegradable polyrotaxane in which ca, 22 molecules of ${\alpha}$-cyclodextrina(${\alpha}$-CDs) were threaded onto a poly(ethylene oxide) chain(M$\sub$n:4,000) capped with benzyloxycarbonyl-L-phenylalanine was conjugated with a biotin hydorazide and 2-aminoethanol after activing the hydroxyl groups of ${\alpha}$-CDs in the polyrotaxane using N, N'-carbonyldiimidazole. The results of the high-resolution $^1$H-nyclear lmagnetic resonance($^1$H-NMR)spectra and gel permeation chromatography of the conjugate showed that ca, 11 biotin molecules were actually introduced to the polyrotaxane scaffold. An SPR analysis showed that the binding curves of the biotin molecules in the conjugate on the streptavidin-deposited surface changed in a concentration dependent manner, indicating that the biotin in the conjugate was ac-tually recognized by streptavidin. The association equilibrium constant(K$\sub$a/) of the interaction be-tween the conjugate and steptavidin tetramer was of the order 10$\^$7/. These results suggest that polyrotaxane is useful for scaffolds as a polymeric ligand in biomedical fields.

• Journal of Photoscience
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• v.5 no.1
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• pp.11-15
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• 1998

The texture change of non-linear optical molecules at the air/water interface was investigated as a function of surface pressure with Brewster angle microscopy. The texture change resulted from the aggregation of dye molecules is important to understand the film uniformity and grain formation process. The 4-Octadecylhydroxy-4'-nitrostilbene (OHNS) generated the small spots of size around 1$\mu$m. The spots exhibit high contrast with other film area and do not show angle dependent reflectivity change. It is interesting to observe that the size of the domain stays the same as the film pressure increases. At high surface pressure, the contrast ratio of domains becomes high, which means dense packing of OHNS. And, the size of domain grows. In the middle of domain, highly contrasted domains are formed. The first and the second order transitions of OHNS observed from surface pressure-area isotherm result from the two types of grains. The N,N-Dihexadecylcyanoaniline (DHCA) formed highly contrasted gains over entire region, and the grains are the double layers. The difference in Langmuir film of OHNS and DHCA at the air/water interface is consistent with the small tilt angle from the surface normal for OHNS and the large tilt angle for DHCA in the Langmuir-Blodgett films.

• Bulletin of the Korean Chemical Society
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• v.31 no.1
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• pp.162-167
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• 2010

We investigated the adsorption and desorption characteristics of benzene molecules on $Si(001)-2{\times}n$ surfaces using a variable-low temperature scanning tunneling microscopy. When benzene was adsorbed on a $Si(001)-2{\times}n$ surface at a low coverage, five distinct adsorption configurations were found: tight-binding (TB), standard-butterfly (SB), twisted-bridge, diagonal-bridge, and pedestal. The TB and SB configurations were the most dominant ones and could be reversibly interconverted, diffused, and desorbed by applying an electric field between the tip and the surface. The population ratios of the TB and SB configurations were affected by the benzene coverage: at high coverage, the population ratio of SB increased over that of TB, which was favored at low coverage. The desorption yield decreased with increasing benzene coverage and/or density of vacancy defect. These results suggest that the interaction between the benzene molecules is important at a high coverage, and that the vacancy defects modify the adsorption and desorption energies of the benzene molecules on Si(001) surface.

• Proceedings of the Korean Vacuum Society Conference
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• 2013.08a
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• pp.65.1-65.1
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• 2013

Icy dust particles in interstellar clouds are considered to play a catalytic role in molecular evolution in space. Atoms and simple molecules constituting the ice mantles of dust particles may be transformed into more complex molecules under the irradiation of UV and cosmic rays. This seminar will present our recent study results for chemistry of ice surfaces, with the emphases on the mechanistic features of elementary reactions and the implications for interstellar molecular evolution. The types of reactions studied include molecule diffusion in ice, proton and hydroxide transfers, and some UV-induced reactions wih astrobiological relevance.

• Proceedings of the Korean Vacuum Society Conference
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• 2010.08a
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• pp.64-64
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• 2010

Ice film surfaces were examined by using the reactive ion scattering (RIS) of low energy (<35 eV) cesium ion beams. Neutral molecules (X) on the surface were detected in the form of cesium-molecule ion clusters (CsX+). Ionic species on the surface were desorbed from the surface via a low energy sputtering (LES) process below the threshold energy of secondary ion emission. The RIS and LES methods allowed us to study the H/D exchange reactions between H2O and D2O molecules on the surface and the associated proton transfer mechanisms. Specifically, H/D exchange kinetics was examined for D2O ice films (~10 BL) covered with a small amount of H2O (<0.5 BL), in the presence or absence of HCl adsorbates which provided excess protons on the surface.

• Journal of Convergence for Information Technology
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• v.10 no.6
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• pp.164-176
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• 2020

Efficient production of antigen specific cytotoxic T cells is critical for appropriate adoptive immune response. In vitro culture and expansion of human T lymphocyte clones are very sophisticated and subtle procedure in immune cell therapy and hard to control. Therefore, many groups devoted their efforts to manipulate artificial antigen presenting cells (aAPCs) that can induce T cell activation and clonal expansion. To mimicking of natural antigen-presenting cells, aAPCs encompass basic signal molecules required for T cell activation: MHC:antigen complexes, co-stimulatory molecules and soluble immune modulating molecules. Orchestrated organization of these molecules is important for efficient T cell activation. Here, we discuss how those molecules have been incorporated in several aAPC models, but also how physical properties od aAPC are important for interaction with T cells.

• The Transactions of the Korean Institute of Electrical Engineers C
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• v.49 no.10
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• pp.553-558
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• 2000

This paper deals with change of contact angle, surface potential decay, surface resistivity and XPS of water-treated epoxy insulator. From the experimental results on the contact angle was reduced from $74^{\circ}$to $24^{\circ}$ due to the formation of polar hydroxyl groups on surface which was associated with intermolecular reaction between epoxy chains of three-dimensional network structure and water molecules. From the experimental results in the surface potential decay of water treated-samples, it was found that the accumulation of charge is decreased and the surface potential decay time is shortened by the interaction of polar hydroxyl groups induced on the treated surface as the increment of treatment time. The positive charging on the treated surface compared with negative charging is relatively lowered by the induction of polar hydroxyl groups. The surface resistivity was changed from $10^{15}[{\Omega}/cm^2$] to $10^{12}[{\Omega}/cm^2$] caused by water treatment. From XPS, it was found that the changes affected by the surface degradation of epoxy were caused by the generation of carboxyl groups through the chain decomposition and recombination with oxygen molecules in the air.

• Korean Journal of Optics and Photonics
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• v.22 no.4
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• pp.198-203
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• 2011

We have conducted a theoretical study to improve the detection limit of a surface plasmon resonance (SPR) sensor by co-localizing plasmonic fields and target molecules of interest. The fields were localized by nanograting antennas, while target molecules that participate in a molecular interaction were assumed to be co-localized by angled evaporation of a dielectric mask layer on the nanograting antennas. We have performed the evaluation using an overlap integral between distributions of plasmon fields and molecules and confirmed the correlation of the overlap with the sensitivity of an SPR sensor. Based on the calculated sensor characteristics, it was found that the sensitivity, if the fields and molecules are co-localized, can be as much as ten times that of non-colocalized structure.