• Journal of the Korean Chemical Society
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• v.20 no.5
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• pp.364-373
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• 1976

A magnetic nucleus located on an internal rotor in a polyatomic molecule can interact with the magnetic fields arising from internal rotation as well as end-over-end molecular rotation. In this paper the spin-rotation coupling Hamiltonian for a nuclear spin on a symmetrical internal rotor in a polyatomic molecule is derived. The derived spin-rotation Hamiltonian turns out to be composed of the two parts: the spin-over-all-rotation interaction and the spin-internal-rotation interaction. The relation between the spin-rotation coupling tensor and the magnetic shielding effect is also investigated.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2008.11a
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• pp.109-110
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• 2008

We have performed a density functional theory study to investigate the reaction of the $HfCl_4$ molecule on $H_2O$ terminated Si (001)-$(2\times1)$ surface. The reaction of the $HfCl_4$ molecule is more favorable on OH-terminated site than H-terminated site. The first $HfCl_4$ molecule is adsorbed on a OH-terminated site with 0.21 eV energy benefit. The second $HfCl_4$ molecule is adsorbed on the most adjacent OH-terminated site of the first molecule and the energy benefit is 0.28 eV. The third and forth molecules have same tendency with the first and second ones. The adsorption energies of the fifth and sixth $HfCl_4$ molecules are 0.01 eV, -0.06 eV respectively. Therefore, we find that the saturation Hf coverage is approximately 5/8 of the available hydroxyl site, which is $2.08\times10^{14}/cm^2$. Our model is well matched with an experimental study by reference.

• Archives of Pharmacal Research
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• v.4 no.2
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• pp.99-107
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• 1981

To investigate the protein binding characteristics of ibuprofenlysine, the effects of drub conentration, pH, ionic strength and protein concentration on the binding of drug to protein concentration on the binding of drug to protein were studied by fluorescence probe method. The conformational change of protein was investigated by circular dichroism (CD) measurement. As the concentration of drug increases, the association constant decreases. These may be due to complex formation of the probe and drug, or the interaction of the protein-probe complex and drug. The association constant for ibuprofenlysine increased with increasing protein concentration. These finding suggest a sharing of one ibuprofenlysine molecule by more than one protein molecule in the binding. The binding between ibuprofenlysine and protein was dependent on pH and ionic strength. It seems that both hydrophobic binding and some electrostatic forces are involved in the binding of ibuprofenlysing to protein.

• Bulletin of the Korean Chemical Society
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• v.2 no.2
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• pp.56-59
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• 1981

In this paper a further generalization of the theory of multilayer physical adsorption previously developed by the authors is attempted so that the effect of vertical interactions between adsorbent and adsorbate can be explicitly taken into account. In this attempt we have to discard the previously adopted assumption that the molecules in the second layer or above are all in the same physical state. In order to estimate the effect of vertical interactions on the adsorption isotherm the interaction energy between an adsorbed molecule and the adsorbent surface is assumd to vary as $r^{-3}$ where r is the distance that the molecule under consideration is separated from the adsorbent surface. Resulting adsorption isotherm is applied to interpret the adsorption data of tetramethylsilane vapor on iron film and good agreements between observed and calculated values are obtained over wide range of pressure.

• IMMUNE NETWORK
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• v.1 no.1
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• pp.14-25
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• 2001

Background: Bone marrow stromal cells (BMSCs) express many cell surface molecules, which regulate the proliferation and differentiation of immune cells within the bone marrow. Methods: To identify cell surface molecules, which can regulate cell proliferation through cell interaction, monoclonal antibodies (MoAbs) against BMSCs were produced. Among them, 1H8 MoAb, which recognized distinctly an 80 kDa protein, abolished myeloma cell proliferation that was induced by co-culturing with BMSCs. Results: IL-6 gene expression was increased when myeloma or stromal cells were treated with 1H8 MoAb. In addition, the expression of IL-6 receptor and CD40 was up-regulated by 1H8 treatment, suggesting that the molecule recognized by 1H8 MoAb is involved in cell proliferation by modulating the expression of cell growth-related genes. Myeloma cells contain high levels of reactive oxygen species (ROS), which are related to gene expression and tumorigenesis. Treatment with 1H8 decreased the intracellular ROS level and increased PAG antioxidant gene concomitantly. Finally, 1H8 induced the tyrosine phosphorylation of several proteins in U266. Conclusion: Taken together, 1H8 MoAb recognized the cell surface molecule and triggered the intracellular signals, which led to modulate gene expression and cell proliferation.

• Proceedings of the Korean Vacuum Society Conference
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• 2013.02a
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• pp.280-280
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• 2013

Using both experimentaland theoretical methods, we have investigated the structural and electronic properties of self-assembled two-dimensional organic molecule (hexaaza-triphenylene-hexacarbonitrile, HATCN), which is used as an efficient OLED hole injection material, on Au(111) surfaces. Low-temperature scanning tunneling microscope (STM) measurements revealed that self-assembled linear and hexagonal porous structures are formed at atomic steps and terraces of Au(111), respectively. We also found that the hexagonal porous structure have chirality and forms only small (＜1,000 nm2) phase-separated chiral domains that can easily change their chiral phase in subsequence STM images at 80 K. To explain these observations, we calculated the molecular-molecular and molecule-surface interaction energies by using first-principles density functional theory method. We found that the change of their chiral phase resulted from the competition between the two energies. These results have not only verified our experimental observations, but also revealed the delicate balance between different interactions that caused the self-assembed structures at the surface.

• Journal of Microbiology and Biotechnology
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• v.11 no.6
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• pp.922-927
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• 2001

In an effort to regulate the mammalian cell behavior in entrapment with a gel, we have functionalized hydrogels with the putative cell-binding (-Arg-Gly-Asp-)(RGD) domain. An adhesion molecule of Gly-Arg-Gly-Asp-Ser (GRGDS) peptides, a cell recognition ligand, was induced into thermo-reversible hydrogels, composed of N-isopropylacrylamide with small amounts of acrylic acid (typically 2-5 $mol\%$ in feed), as a biomimetic extracellular matrix (ECM). The GRGDS containing a p(NiPAAm-co-AAc) copolymer gel was studied in vitro for its ability to promote the spreading and viability of cells by introducing a GRGDS sequence. Hydrogel with no adhesion molecule was a poor ECM for adhesion, permiting spreading of only $3\%$ of the seeded cells for 36h. By immobilizing the peptide linkage into the hydrogel, the conjugation of RGD promoted $50\%$ of proliferation for 36h. However, the GREDS sequence, nonadhesive peptide linkage, conjugated hydrogel showed only $5\%$ of the seeded cell for the same time period. In addition, with the serum-free medium, only GRGDS peptides conjugated to hydrogel was able to promotecell spreading, while there was no cell proliferation in the hydrogel without GRGDS. Thus, the GRGDS peptide-conjugated thermo-reversible hydrogel specifically mediated the cell spreading. This result suggests that utilization of peptide sequences conjugating with the cell-adhesive motifs can enhance the degree of cell surface interaction and influence the long-term formation of ECM in vitro.

• Journal of the Korea Computer Graphics Society
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• v.18 no.3
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• pp.1-7
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• 2012

In this paper, we propose a method to compute the interface between protein molecules. When a molecules is represented as a set of spheres with van der Waals radii, the distance from a spatial point p to the molecule corresponds to the distance from p to the closet sphere. The molecular interface is composed of equi-distant points from two molecules. Our algorithm decomposes the space into a set of voxels, and then constructs a voxel map by storing the information of spheres intersecting each voxel. By using the voxel map, we compute the distance between a point and the molecule. We also use GPU for the parallel processing, and efficiently approximate the interface of a pair of molecules.

• Journal of the Korean Ceramic Society
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• v.32 no.8
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• pp.901-908
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• 1995

In aqueous slurry processing of silicon nitride, the interaction of dispersant and binder used as polymeric processing additives on the silicon nitride particle surface was studied to identify the effect of these processing polymeric additives on the ceramic powder processing. The adsoprtion isotherm study of anionic organic molecule as dispersant and nonionic organic molecules as binder of silicon nitricde was studied to investigate the effect of these processing organic additives on the physicochemical properties of silicon nitride particles. As anionic molecule adsorbed onto silicon nitrice surface, the IEP of silicon nitride shifted toward acidic pH and changed the stability of silicon nitride particle. However, the adsorption of binder as nonionic organic molecule onto silicon nitride surface did not changed the IEP but caused the decrease of electrostatic potentials of silicon nitride. These distinctive adsorption behaviors of organic additives on silicon nitride particles can be closely correlated to the stability of silicon nitride particles suspended in aqueous media.

• 한국정보디스플레이학회:학술대회논문집
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• 2007.08a
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• pp.170-173
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• 2007

Cruciform conjugated molecule, 4(DP3T)-benzene bearing terthiophene moieties has been synthesized through Horner-Emmons Reaction using 5-dodecyl-5"-aldehyde-[2,2';5',2"] terthiophene as dendrons and octaethyl benzene- 1,2,4,5-tetrayltetrakis(methylene)tetraphosphonate as the core unit; this molecule has been fully characterized. The terthiophene-based molecule exhibits good solubility in common organic solvents and good self-film forming property. They are intrinsically crystalline as they exhibit well-defined X-ray diffraction patterns from uniform orientations of molecules. Thus, intermolecular interaction can be enhanced to affect the carrier transport phenomena after annealing at $148^{\circ}C$. The semiconducting property of 4(DP3T)-benzene have been evaluated in organic field-effect transistors. 4(DP3T)-benzene exhibit carrier mobility as high as $(6.6{\pm}0.5)$ ${\times}$ $10^{-6}cm^2V^{-1}s^{-1}$.