• The Bulletin of The Korean Astronomical Society
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• v.36 no.2
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• pp.106.2-106.2
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• 2011

The two competing theories of star formation are based on turbulence and ambipoar diffusion. I will first briefly explain the two theories. There have been analytical (or semi-analytic) models, which estimate star formation rates in a turbulent cloud. Most of them are based on the log-normal density PDF (probability density function) of the turbulent cloud without self-gravity. I will first show that the core (star) formation rate can be increased significantly once self-gravity of a turbulence cloud is taken into account. I will then present the evolution of molecular line profiles of HCO+ and C18O toward a dense core that is forming inside a magnetized turbulent molecular cloud. Features of the profiles can be affected more significantly by coupled velocity and abundance structures in the outer region than those in the inner dense part of the core. During the evolution of the core, the asymmetry of line profiles easily changes from blue to red, and vice versa. Finally, I will introduce a method for incorporating ambipolar diffusion in the strong coupling approximation into a multidimensional magnetohydrodynamic code.

• Bulletin of the Korean Chemical Society
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• v.31 no.11
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• pp.3217-3220
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• 2010

The electronic structures and bonding configuration of histidine on Ge(100) have been investigated with various sample treatments using core-level photoemission spectroscopy (CLPES). Interpretation of the Ge 3d, C 1s, N 1s, and O 1s core level spectra being included in these systems revealed that both the imino nitrogen in the imidazole ring and the carboxyl group in the glycine moiety concurrently participate in the adsorption of histidine on a Ge(100) surface at 380 K. Moreover, we could clearly confirm that the imino nitrogen with a free lone pair in the imidazole group adsorbs on Ge(100) more strongly than the carboxyl group in the glycine moiety by examining systems annealed at various temperatures.

• ETRI Journal
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• v.18 no.3
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• pp.195-206
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• 1996

Molecular conformations of stereoregular poly(methyl methacrylate) (PMMA) monolayers have been investigated by scanning probe microscopes. Isotactic and syndiotactic PMMAs were found to have right and left hand helical structures, respectively. On the contrary atactic PMMA showed rather random arrangement of the chains. It has been demonstrated that the PMMA Langmuir-Blodgett (LB) films can be utilized to form nanoscale patterns down to 50 nm and to forma geodesic lens. It has also been manifested that the quantum efficiency of a polymer electroluminescent device can be significantly enhanced by inserting the PMMA LB films between the emitting layer and the cathode. All the applications utilize the unique characteristics of the LB films to form thin and uniform films in the molecular level.

• Molecules and Cells
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• v.41 no.7
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• pp.622-630
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• 2018

Leukocyte common antigen-related protein tyrosine phosphatases (LAR-RPTPs) are cellular receptors of heparan sulfate (HS) and chondroitin sulfate (CS) proteoglycans that regulate neurite outgrowth and neuronal regeneration. LAR-RPTPs have also received particular attention as the major presynaptic hubs for synapse organization through selective binding to numerous postsynaptic adhesion partners. Recent structural studies on LAR-RPTP-mediated trans-synaptic adhesion complexes have provided significant insight into the molecular basis of their specific interactions, the key codes for their selective binding, as well as the higher-order clustering of LAR-RPTPs necessary for synaptogenic activity. In this review, we summarize the structures of LAR-RPTPs in complex with various postsynaptic adhesion partners and discuss the molecular mechanisms underlying LAR-RPTP-mediated synaptogenesis.

• Journal of the Korean Vacuum Society
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• v.12 no.4
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• pp.281-287
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• 2003

We have performed classical molecular dynamics simulations for hypothetical silicon nanotubes using the Tersoff potential. Our investigation presented a systematic study about the thermal behavior of hypothetical silicon nanotubes and showed the difficulty in Producing silicon nanotubes or graphitelike sheets. Through the investigations on the structure and properties of a double-wall silicon nanotube, we concluded that quasi-one dimensional structures consisting of silicon atoms become nanowires or multi wall nanotubes rather than single wall nanotubes in order to minimize the number of $sp^2$ bonds.

• Nuclear Engineering and Technology
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• v.51 no.3
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• pp.769-775
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• 2019

The tensile strength of irradiated 3C-SiC, SiC with artificial point defects, SiC with symmetric tilt grain boundaries (GBs), irradiated SiC with GBs are investigated using molecular dynamics simulations at 300 K. For an irradiated SiC sample, the tensile strength decreases with the increase of irradiation dose. The Young's modulus decreases with the increase of irradiation dose which agrees well with experiment and simulation data. For artificial point defects, the designed point defects dramatically decrease the tensile strength of SiC at low concentration. Among the point defects studied in this work, the vacancies drop the strength the most seriously. SiC symmetric tilt GBs decrease the tensile strength of pure SiC. Under irradiated condition, the tensile strengths of all SiC samples with grain boundaries decrease and converge to certain value because the structures become amorphous and the grain boundaries disappear after high dose irradiation.

• Journal of Industrial and Engineering Chemistry
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• v.67
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• pp.293-300
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• 2018

Lipocalins are diverse group of small extracellular proteins found in various organisms. In this study, members of 10 non-homologous lipocalin-ligand crystal complex structures were remodeled using rigid and flexible ligand modes to validate the prediction efficiency of molecular docking simulation. The modeled ligand conformations indicated a high prediction accuracy in rigid ligand mode using cluster based analysis for most cases whereas the flexible ligand mode required further considerations such as ligand binding energy and RMSD for some cases. This in silico study is expected to serve as a platform in the screening of novel ligands against lipocalin family of proteins.

• Journal of Radiopharmaceuticals and Molecular Probes
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• v.6 no.2
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• pp.165-170
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• 2020

Histone Deacetylases (HDACs) are enzymes that have control gene expression regulation and cell state. In additions, inhibitions of HDACs are associated with growth arrest, differentiation, or apoptosis of tumor cell. Thus HDAC inhibition is one of the interesting biological targets. A variety of HDAC inhibitors has been developed by many scientists, and some of chemical structures related with HDAC inhibitors were modified to give radiolabeled HDAC inhibitors for positron emission tomography (PET) study. In this highlight review, the development of radiolabeled HDAC inhibitors for PET study are described.

• Clinical and Experimental Vaccine Research
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• v.13 no.3
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• pp.202-217
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• 2024

Structural vaccinology is pivotal in expediting vaccine design through high-throughput screening of immunogenic antigens. Leveraging the structural and functional characteristics of antigens and immune cell receptors, this approach employs protein structural comparison to identify conserved patterns in key pathogenic components. Molecular modeling techniques, including homology modeling and molecular docking, analyze specific three-dimensional (3D) structures and protein interactions and offer valuable insights into the 3D interactions and binding affinity between vaccine candidates and target proteins. In this review, we delve into the utilization of various immunoinformatics and molecular modeling tools to streamline the development of broad-protective vaccines against coronavirus disease 2019 variants. Structural vaccinology significantly enhances our understanding of molecular interactions between hosts and pathogens. By accelerating the pace of developing effective and targeted vaccines, particularly against the rapidly mutating severe acute respiratory syndrome coronavirus 2 and other prevalent infectious diseases, this approach stands at the forefront of advancing immunization strategies. The combination of computational techniques and structural insights not only facilitates the identification of potential vaccine candidates but also contributes to the rational design of vaccines, fostering a more efficient and targeted approach to combatting infectious diseases.

• Proceedings of the Korea Crystallographic Association Conference
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• 2000.05a
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• pp.26-26
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• 2000