• The Korean Journal of Pesticide Science
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• v.9 no.3
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• pp.191-198
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• 2005

Hippuryl-L-histidyl-L-leucine (Hip-L-His-L-Leu, HHL) is the known substrate of ACE, which used often in inhibition kinetic study to design new inhibitor. Here we use HHL molecule as a template to predict pharmacophore which can interact with residues in active site of AnCE, new potential insecticide target protein. To explain physicochemical properties related to molecular geometry and conformational change in reaction field as well as electron density of atoms associated to pharmacophores, geometry optimization, NMR chemical shifts and natural population analysis were performed by ab initio and DFT method. Calculated NMR chemical shifts showed good agreement with the experimental ones and obtained electron densities were used for analyzing pharmacophores of corresponding atoms. Finally, we could extract aye pharmacophores related to hydrophobic aliphatic and aromatic site, hydrogen bonding donor and acceptor site and Zn binding site from the HHL molecule.

• Proceedings of the Korean Society for Emotion and Sensibility Conference
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• 2000.11a
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• pp.91-97
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• 2000

The conventional model did not take momentum conservation into consideration when the electron absorbs and emits the photons. II-ray provides momentum conservations on any directions of the entering photons, and also the electrons have radial momentum conservations and fully elastic bouncing between two atoms, in the new atom model. Conventional atom model must be criticized on the following four points. (1) Natural motions between positive and negative entities are not circular motions but linear going and returning ones, for examples sexual motion, tidal motion, day and night etc. Because the radius of hydrogen atom's electron orbit is the order of 10$^{-11}$ m and the radia of the nucleons in the nucleus are the order of 10$^{-l4}$m and then the converging n-gamma rays to the nucleus have so great circular momentum, the electron can not have a circular motion. We can say without doubt that any elementary mass particle can have only linear motion because of the n-rays' hindrances, near the nucleus. (2) Potential energy generation was neglected when electron changes its orbit from outer one to inner one. The h v is the kinetic energy of the photo-electron. The total energy difference between orbits comprises kinetic and potential energies. (3) The structure of the space must be taken into consideration because the properties of the electron do not change during the transition from outer orbit to inner one even though it produces photon. (4) Total energy conservation law applies to the energy flow between mind and matter because we daily experiences a interconnection between mind and body. An understanding of the mechanisms responsible for the control of normal proliferation and differentiation of the various cell types which make up the human body will undoubtedly allow a greater insight into the abnormal growth of cells, A large body of biochemical evidence was eventually used to generate a receptor model with an external ligand binding domain linked through a single trans-membrane domain to the cytoplasmic tyrosine kinase and autophosphory-lation domains. The ligand induced conformational change in the external domain generates either a push-pull or rotational signal which is transduced from the outside to the inside of cell.l.ell.

• Tribology and Lubricants
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• v.32 no.5
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• pp.141-146
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• 2016

The diketopyrrolopyrrole (DPP) pigment is a bicyclic 8-π-electron system containing two lactam units. Typical DPP derivative pigments have melting points of over 350°C and very low solubility in most solvents, and show absorption in the visible region with a molar extinction coefficient of 33,000 dm²mol⁻¹ and strong photoluminescence with maxima in the range 500–600 nm. X-ray structure analyses of DPP show that the whole molecule is almost in one plane. The phenyl rings are twisted out of the heterocyclic plane and the intermolecular hydrogen bonding between neighboring lactam NH and carbonyl units influences the structure of the DPP pigment in the solid state. In this study, mono-N-alkylation and mono-N-arylation were undertaken for Pigment Red 264 or Pigment Orange 73 with alkyl halide and aryl halide, respectively, in the presence of sodium tert-butoxide as a base catalyst to improve the solubility of DPP pigments and their application as CO₂ indicators. The synthetic yield was in the range 11–88%. The indicator dyes are highly soluble in organic solvents and shows pH-dependent absorption (λ_max 501 and 572 nm for the protonated and deprotonated forms, respectively) and emission (λ_max 524 and 605 nm for the protonated and deprotonated forms, respectively) spectra. The mono-N-alkylated and mono-N-arylated DPP pigment was identified by ¹H-NMR (¹H-Nuclear Magnetic Resonance Spectrometer), FT-IR (Fourier Transform Infrared Spectroscopy), and MS (Mass Spectrometry). According to the results of color and hue properties obtained by a color matching analyzer, the synthesized DPP pigment material can be used as a CO₂ indicator.

• Journal of Korea Technical Association of The Pulp and Paper Industry
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• v.47 no.6
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• pp.164-169
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• 2015

Nowadays blending ratio of OMG (old magazine) in recovered paper used for manufacturing newspaper have been increased. When large amount of OMG is consumed in newsprint mill, brightness can be improved by inorganic pigments of coating layer. On the other hand decrease in yield of deinking process will be encountered because the pigments can be removed as reject of froth flotation process. Therefore selection of the optimal deinking agent is an important. Non-ionic surfactant have been used widely in newsprint mill. Non-ionic surfactant has amphoteric characteristics. Hydrophilic group is ethylene and propylene oxide that can induce hydrogen bonding with water molecules. In this regard, cloud point is an important parameter in order to control efficiency of deinking process because hydration of the hydrophobic group can be varied according to temperature of a system. In this study, deinking properties of ONP at high blending ratio of OMG was analyzed according to cloud points of non-ionic surfactants. $L^*$, $a^*$, $b^*$, brightness and effective residual ink concentration did not affected by the change of cloud points. Especially, flotation reject decreased significantly according to increase in cloud point of the non-ionic surfactant. Consequently, when a nonionic surfactant having a cloud point higher than the temperature of the system is used, properties of the deinked pulp can be maintained and yield of deinking process can be improved.

• Journal of the Korean Vacuum Society
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• v.17 no.3
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• pp.215-219
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• 2008

The bonding structure and composition of silicon nitride (SiNx) films were investigated by using Fourier transform infrared spectroscopy (FT-IR). SiNx films were deposited on Si substrate at $340^{\circ}C$ using a conventional PECVD system. The compositions of Si and N in SiNx films were confirmed by using Rutherford backscattering spectroscopy (RBS) and photoluminescence (PL) analysis. The surface morphology of SiNx films was also analyzed by using atomic force microscopy (AFM). It was found that the contents of NH(at. %) is the reverse related with those of SiH corresponding to the result of FT-IR. we conclude that a quantitative analysis on SiNx films can be possible through a precise detection of the contents of H in SiNx films with a FT-IR analysis only.

• Journal of the Korean Vacuum Society
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• v.8 no.1
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• pp.20-25
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• 1999

The effect of different plasma surface preparation and oxidation processes for the formation of $SiO_2-Si$(100) interfaces was studied using angle resolved uv-photoelectron spectroscopy. The surface preparation processes included ex situ preclean as well as in situ hydrogen plasma, which were compared to the processes of UHV annealing at high temperature. The spectral position of the oxide valence band features, with respect to the Fermi level. Were found to shift according to the different processes of surface preparation and oxidation. The shifts were analyzed in terms of band bending in the Si. Origins of the spectral shifts were considered to include defects at the $SiO_2Si$ interfaces and surface morphology(roughness) dependent on the surface preparation processes. From comparison of the ARUPS results of the various processes, it was concluded that the interface bonding of the silicon oxide-showed the lowest band bending.

• Macromolecular Research
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• v.12 no.4
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• pp.367-373
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• 2004

We have developed a rigorous heat treatment method to improve the biocompatibility of chitosan as a tissue-engineered scaffold. The chitosan scaffold was prepared by the controlled freezing and lyophilizing method using dilute acetic acid and then it was heat-treated at 110$^{\circ}C$ in vacuo for 1-3 days. To explore changes in the physicochemical properties of the heat-treated scaffold, we analyzed the degree of deacetylation by colloid titration with poly(vinyl potassium sulfate) and the structural changes were analyzed by scanning electron microscopy, Fourier transform infrared (FT-IR) spectroscopy, wide-angle X-ray diffractometry (WAXD), and lysozyme susceptibility. The degree of deacetylation of chitosan scaffolds decreased significantly from 85 to 30% as the heat treatment time increased. FT-IR spectroscopic and WAXD data indicated the formation of amide bonds between the amino groups of chitosan and acetic acids carbonyl group, and of interchain hydrogen bonding between the carbonyl groups in the C-6 residues of chitosan and the N-acetyl groups. Our rigorous heat treatment method causes the scaffold to become more susceptible to lysozyme treatment. We performed further examinations of the changes in the biocompatibility of the chitosan scaffold after rigorous heat treatment by measuring the initial cell binding capacity and cell growth rate. Human dermal fibroblasts (HDFs) adhere and spread more effectively to the heat-treated chitosan than to the untreated sample. When the cell growth of the HDFs on the film or the scaffold was analyzed by an MTT assay, we found that rigorous heat treatment stimulated cell growth by 1.5∼1.95-fold relative to that of the untreated chitosan. We conclude that the rigorous dry heat treatment process increases the biocompatibility of the chitosan scaffold by decreasing the degree of deacetylation and by increasing cell attachment and growth.

• Polymer(Korea)
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• v.35 no.1
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• pp.72-76
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• 2011

The physical properties of crosslinked poly(vinyl alcohol)(PVA) by natural dyes as crosslinking agents were investigated and a comparison was made with chemically crosslinked PVA by Polycup 172. It was found that natural anthocyanin and crocin made possible to crosslink PVA physically through the hydrogen bonding of OH in both PVA and natural dyes in the present with NaCl as a catalyst. The water swellability dramatically decreased and the physical crosslinking led to decreasing of crystallinity of PVA. The lowering of thermal stability was noticed in the physically crosslinked PVA compared to chemically crosslinked PVA due to its lower crosslink density. However even natural dyes have polysaccharides in their chain, their thermal stability was higher than uncrosslinked PVA.

• Bulletin of the Korean Chemical Society
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• v.34 no.11
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• pp.3429-3443
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• 2013

Chemokine receptor (CCR2) is a G protein-coupled receptor that contains seven transmembrane helices. Recent pharmaceutical research has focused on the antagonism of CCR2 and candidate drugs are currently undergoing clinical studies for the treatment of diseases like arthritis, multiple sclerosis, and type 2 diabetes. In this study, we analyzed the time dependent behavior of CCR2 docked with a potent 4-azetidinyl-1-aryl-cyclohexane (4AAC) derivative using molecular dynamics simulations (MDS) for 20 nanoseconds (ns). Homology modeling of CCR2 was performed and the 4AAC derivative was docked into this binding site. The docked model of selected conformations was then utilized to study the dynamic behavior of the 4AAC enzyme complexes inside lipid membrane. MDS of CCR2-16b of 4AAC complexes allowed us to refine the system since binding of an inhibitor to a receptor is a dynamic process and identify stable structures and better binding modes. Structure activity relationships (SAR) for 4AAC derivatives were investigated and reasons for the activities were determined. Probable binding pose for some CCR2 antagonists were determined from the perspectives of binding site. Initial modeling showed that Tyr49, Trp98, Ser101, Glu291, and additional residues are crucial for 4AAC binding, but MDS analysis showed that Ser101 may not be vital. 4AAC moved away from Ser101 and the hydrogen bonding between 4AAC and Ser101 vanished. The results of this study provide useful information regarding the structure-based drug design of CCR2 antagonists and additionally suggest key residues for further study by mutagenesis.

• Restorative Dentistry and Endodontics
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• v.26 no.5
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• pp.399-408
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• 2001

Tooth bleaching has been prevailing recently for its ability to recover the color and shape of natural teeth without reduction of tooth material. However, it has been reported that bleaching procedure adversely affects the adhesive bond strength of composite resin to tooth. At the same time the bond strength was reported to be regained by application of some chemical agents. The purpose of this in vitro study was to investigate the effect of the removal of residual peroxide on the composite- enamel adhesion and also evaluated fracture mode between resin and enamel after bleaching. Sixty extracted human anterior and premolars teeth were divided into 5 groups and bleached by combined technique using of office bleaching with 35 % hydrogen peroxide and matrix bleaching with 10% carbamide peroxide for 4 weeks. After bleaching, the labial surfaces of each tooth were treated with catalase, 70% ethyl alcohol, distilled water and filled with composite resin. Shear bond strength was tested and the fractured surfaces were also examined with SEM. Analysis revealed significantly higher bond strength values. (p＜0.05) for catalase-treated specimens, but water-treated specimens showed reduction of bond strength, alcohol- treated specimens had medium value between the two groups(p＜0.05). The fracture mode was shown that the catalase group and the alcohol group had cohesive failure but the water sprayed group had adhesive failure. It was concluded that the peroxide residues in tooth after bleaching seems to be removed by gradual diffusion and the free radical oxygen from peroxide prevents polymerization by combining catalyst in the resin monomer. Therefore it may be possible to eliminate the adverse effect on the adhesion of composite resin to enamel after bleaching by using water displacement solution or dentin bonding agent including it for effective removal of residual peroxide.