• Bulletin of the Korean Chemical Society
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• v.32 no.2
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• pp.645-650
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• 2011

The 3D-QSAR study of 2-arylbenzoxazoles as novel cholesteryl ester transfer protein inhibitors was performed by comparative molecular field analysis (CoMFA), CoMFA region focusing (CoMFA-RF) for optimizing the region for the final PLS analysis, and comparative molecular similarity indices analysis (CoMSIA) methods to determine the factors required for the activity of these compounds. The best orientation was searched by all-orientation search strategy using AOS, to minimize the effect of the initial orientation of the structures. The predictive ability of CoMFARF and CoMSIA were determined using a test set of twelve compounds giving predictive correlation coefficients of 0.886, and 0.754 respectively indicating good predictive power. Further, the robustness and sensitivity to chance correlation of the models were verified by bootstrapping and progressive scrambling analyses respectively. Based upon the information derived from CoMFA(RF) and CoMSIA, identified some key features that may be used to design new inhibitors for cholesteryl ester transfer protein.

• Bulletin of the Korean Chemical Society
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• v.32 no.12
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• pp.4341-4346
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• 2011

Impact sensitivity, one of the most important screening factors for novel high energy density materials (HEDMs), was predicted by use of quantitative structure-property relationship (QSPR) based on the electrostatic potential (ESP) values calculated on the van der Waals molecular surface (MSEP). Among various 3D descriptors derived from MSEP, we utilized total and positive variance of MSEP, and devised a new QSPR equation by combining three other parameters. We employed 37 HEDMs bearing a benzene scaffold and nitro substituents, which were also utilized by Rice and Hare. All the molecular structures were optimized at the B3LYP/6-31G(d) level of theory and confirmed as minima by the frequency calculations. Our new QSPR equation provided a good result to predict the impact sensitivities of the molecules in the training set including zwitterionic molecules.

• The Bulletin of The Korean Astronomical Society
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• v.43 no.1
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• pp.45.2-45.2
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• 2018

CS molecule is known to be adsorbed onto dust in cold dense cores, causing its significant depletion in the center region of cores. This study is aimed to investigate the depletion of CS molecule with optically thin $C^{34}S$ molecular line observations, including significance of its differentiation depending on the evolutionary status of the dense cores. We mapped five evolved starless cores, L1544, L1552, L1689B, L694-2 and L1197 using two molecular lines, $C^{34}S$ (J=2-1) and $N_2H^+$ (J=1-0) with NRO 45 m telescope. The $H^2$ column density and temperature structures of each targets were obtained by SED fitting for Herschel continuum images and the internal number density profiles by model fitting. All of the integrated intensity maps of $C^{34}S$ show depletion holes and 'semi-ring-like' distribution, indicating that the depletion of CS is clear and general. The radial profiles of CS abundance also show significant decrease towards the core center, while $N_2H^+$ abundance is almost constant or enhanced. We find that the more evolved cores with higher $H^2$ density tend to have a stronger depletion of CS. Our data strongly support claims that CS molecule generally depletes out in the central regions of starless dense cores and such chemical differentiation is closely related to their evolution.

• Journal of the Institute of Electronics Engineers of Korea TC
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• v.37 no.9
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• pp.38-48
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• 2000

This paper presents the photonic bandgap structure that has a defect mode within a broad stopband. In order to create a broad stopband, we eliminated one of periodic stopbands of PBG structure by using a quarter-wavelength transformer and cascaded another PBG structure having a center frequency corresponding to the eliminated stopband. We have demonstrated that it is a simple and effective method that can solve an overlapping problem of periodic stopband in two cascaded PBG structures.

• Journal of the Korean Institute of Telematics and Electronics D
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• v.34D no.7
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• pp.56-61
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• 1997

I $n_{0.53}$G $a_{0.47}$As/I $n_{0.52}$A $l_{0.48}$As pseudomorphic high electron mobility transistor (P-HEMT) structures were grown on semi-insulating InP substrates by molecular beam epitzxy method. The hall effect measuremetn was used to measure the electrical properties and the photoluminescence (PL) measurement was used to measure the electrical properties and the photoluminescence(PL) measurement for optical propety. By the cross-sectional transmission electron microscopy (XTEM) investigation of the V and X shape defects including slip with angle of 60.deg. C and 120.deg. C to surface in the sampel, the defects formation mecahnism in the I $n_{0.52}$A $l_{0.48}$As epilayers on InP substrates could be explained with the different thermal expansion coefficients between I $n_{0.52}$A $l_{0.48}$As epilayers and InP substrate.d InP substrate.

• Proceedings of the Korean Vacuum Society Conference
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• 2010.08a
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• pp.54-55
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• 2010

Vacancy defects in graphene can be created by electron or ion irradiation and those induce ripples which can change the electronic properties of graphene. Recently, the formation of defect structures such as vacancy defects and non-hexagonal rings has been reported in the high resolution transmission electron microscope (HR-TEM) of reduced graphene oxide [1]. In those HR-TEM images, it is noticed that the dislocations with pentagon-heptagon (5-7) pairs are formed and diffuses. Interestingly, it is also observed that two 5-7 pairs are separated and diffuse far away from each other. The separation of 5-7 pairs has been known to be due to their self-diffusion. However, from our tight-binding molecular dynamics simulation, it is found that the separation of 5-7 pairs is due to the diffusion of single vacancy defects and coalescence with 5-7 pairs. The diffusion and coalescence of single vacancy defects is too fast to be observed even in HR-TEM. We also implemented Van der Waals interaction in our tight-binding carbon model to describe correctly bi-layer and multi-layer graphene. The compressibility of graphite along c-axis in our tight-binding calculation is found to be in excellent agreement with experiment. We also discuss the difference between single layer and bi-layer graphene about vacancy diffusion and reconstruction.

• Proceedings of the Korean Society for Applied Microbiology Conference
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• 2001.06a
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• pp.163-164
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• 2001

A number of bacterial species produce extracellular lipases. Among them, many lipase genes have been cloned and sequenced. A comparison of primary sequences revealed only very limited sequence homology among them. Based on the sequence homologies and molecular sizes (Mr), bacterial lipases were classified into four discrete groups. From soil samples taken around Taejon, five different lipase-producing bacteria were isolated; Proteus vulgaris K80, Bacillus stearothermophilus Ll, B. pumilus B26, Staphylococcus haemolyticus L62, S. aureus B56. Nucleotide sequence analysis showed that Staphylococcus lipase genes (L62 and B56) composed of pre-pro-mature parts, Bacillus lipase genes (Ll and B26) pre-mature parts, and Proteus lipase gene (K80) mature part only. In addition, the molecular sizes of their mature parts were quite different from 19,000 to 45,000. Finally, they had very little homology (less than 20％) in their amino acid sequences. Judging from the above results, lipase K80 belonged to bacterial lipase Group I, lipase L1 and lipase B26 Group III, and lipase L62 and lipase B56 Group IV. This diversity in their primary structures was also reflected in their enzymatic properties; temperature effects, pH effects, substrate specificity, detergent effects, and so on.

• Korean Journal of Veterinary Research
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• v.46 no.4
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• pp.355-361
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• 2006

Porcine epidemic diarrhea virus (PEDV) strain Chinju99, which was previously isolated from piglets suffering from severe diarrhea was used to characterize the membrane (M) protein gene to establish the molecular information, and the results will be useful in elucidating concepts related to molecular pathogenesis and antigenic structures of PEDV isolates. The Chinju99 M gene generated by reverse transcription and polymerase chain reaction (RT-PCR) consisted of 681 bases containing 22.3% adenine, 22.3% cytosine, 23.1% guanine and 32.3% thymine nucleotides, and the GC content was 45.4%. It had some nucleotide mismatches from M gene of other PEDV strains, such as CV777, Br1/87, KPEDV-9, JMe2, JS2004-2 and LJB-03 with 97-99% nucleotide sequence homology to these strains. Also, it encoded a protein of 226 amino acids, which had some mismatches from those of CV777, Br1/87, KPEDV-9, JMe2, JS20004-2 and LJB-03, as the amino acid sequence homology showed a 97-98% to these strains. The Chinju99 had a very close relationship to the Japanese strain JMe2 for the nucleotide and amino acid sequences of the M gene. The amino acids predicted from Chinju99 M gene consisted of mostly hydrophobic residues and contained three potential sites for asparagine (N)-linked glycosylation, two serine (S)-linked phosphorylation sites by protein kinase C, and two S- or threonine (T)-linked phosphorylation sites by casein kinase II.

• Toxicological Research
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• v.8 no.2
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• pp.331-342
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• 1992

The chicken major histocompatibility complex (MHC), the B complex, is beginning to be analyzed at the DNA level. Inbred lines of chickens have been reported to possess 3~5 MHC class II genes. To further analyzed the molecular structure of the chicken MHC class II genes, cDNA clones coding for chicken MHC class II (B-L) ${\beta}$ chain molecules were isolated from chicken spleen and liver. Tissue-specific transcription of B-L ${\beta}$genes was studied by Northern blot analysis. A high level of expression was detected for spleen poly(A)$^+$ RNA whereas a faint signal was detected for liver poly(A)$^+$ RNA. Twenty-nine cDNA clones were isolated from the spleen and eight cDNA clones were isolated from the liver. Based on restriction maps, most clones could be clustered into one family of genes. Four cDNA clones were sequenced (S7, S10 and S19 from the spleen and L1, which was identical to S19, from the liver). Complete amino acid sequences of B-L ${\beta}$ chain molecules were predicated from the nucleotide sequences of the cDNA clones. Although both the nature and the location of the conserved residues were similar in chicken and mammalian sequences, some species-specific differences were found, suggesting that the structures of the B-L molecules are similar, but not identical to their mammalian counterparts.

• Journal of Plant Biotechnology
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• v.38 no.2
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• pp.151-161
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• 2011

Plant proteomics is the large-scale studies of proteins, particularly on their structures and functions, governed by the physiological metabolism of plant cells. With the development of techniques and strategies in proteomics, proteomics approach is moving forward in systems biology handling sophisticated components of major signaling and biochemical pathways in plants responding to their environment. In Korea, pioneers in plant proteomics are trying to catch up with global trends in plant proteomics; these researchers are not only improving existing techniques in protein extraction but also developing new techniques in proteomics context. In the hot field of abiotic and biotic stress proteomics, 29 and 9 out of 74 papers have been published during the review period from 2005 to 2010, respectively. This present review article provides an overview on the output of Korean plant proteomers while paying special attention to both abiotic and biotic stress proteomics.