• 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.

• 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.

• Nuclear Engineering and Technology
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• v.52 no.11
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• pp.2585-2593
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• 2020

Swift heavy ion (SHI) beam irradiation can generate desirable defects in materials by transferring sufficient energy to the lattice that favours huge possibilities in tailoring of materials. The effect of Ag¹⁵⁺ ion irradiation with energy 200 MeV on spray deposited V₂O₅ thin films of thickness 253 nm is studied at various ion doses from 5 × 10¹¹ to 1 × 10¹³ ions/㎠. The XRD results of pristine film confirmed orthorhombic structure of V₂O₅ and its average crystallite size was found to be 20 nm. The peak at 394 cm^-1 in Raman spectra confirmed O-V-O bonding of V₂O₅, whereas 917 cm^-1 arise because of distortion in stoichiometry by a loss of oxygen atoms. Raman peaks vanished completely above the ion fluence of 5 × 10¹² ions/㎠. Optical studies by UV-Vis spectroscopy shows decrement in transmittance with an increase in ion fluence up to 5 × 10¹² ions/㎠. The red shift is observed both in the direct and indirect band gaps until 5 × 10¹² ions/㎠. The surface topography of the pristine film revealed sheath like structure with randomly distributed spherical nano-particles. The roughness of film decreased and the density of spherical nanoparticles increased upon irradiation. Irradiation improved the conductivity significantly for fluence 5 × 10¹¹ ions/㎠ due to band gap reduction and grain growth.

• Clean Technology
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• v.21 no.4
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• pp.235-240
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• 2015

In this study, vanadium dioxide was doped with titanium (0~0.5 at %) to improve thermochromic properties. The titanium doped vanadium dioxide (Ti-VO₂) particles were prepared via thermolysis process using vanadyl sulfate, ammonium bicarbonate and titianium chloride as precursors. The crystal structure, morphology, chemical bonding and thermochromic properties were investigated by using XRD, FE-SEM, XPS, DSC and UV-Vis-NIR spectroscopy. It was found that titanium was successfully doped into the crystal lattice of VO₂ and the obtained Ti-VO₂ particles have monoclinic structure. With increasing Ti concentration, the particle size and phase transition temperature of Ti-VO₂ particles decreased and NIR switching efficiency increased.

• Journal of the Korea Concrete Institute
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• v.20 no.4
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• pp.477-486
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• 2008

External bonding of carbon fiber reinforced plastic sheets has recently emerged as a popular method for strengthening reinforced concrete structures. The behavior of CFRP-strengthened RC structure is often controlled by the behavior of the interface between CFRP sheets and concrete. In this study, a review of models on bond strength, bond-slip, and interfacial stresses has been first carried out. Then a new bond-slip model is proposed. The proposed bond-slip model has bilinear ascending regions and exponential descending region derived from modifications mode on the conventional bilinear bond-slip model. The comparison of the results with those of existing experiment researches on bond-slip models indicate good agreements.

• Proceedings of the Korean Institute of Information and Commucation Sciences Conference
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• 2001.10a
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• pp.660-664
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• 2001

$Zn_xSr_{1-x}S$ thin films were prepared in the whole composition range by rf sputtering, using powder targets of a mixture of ZnS and SrS with the required mole fraction. The possibility of existence of $Zn_xSr_{1-x}S$ solid solutions was systematically investigated from the results of thin film growth, in terns of structural, optical characteristics and the chemical bonding of the constituent atoms. The XRD, XPS and optical results made it clear that the solid solutions with a single-phased zincblende structure and a single-phased rocksalt structure were formed at $0.86~0.93{\leq}x{\leq}1$ and $0{\leq}x{\leq}0.29$, respectively. The miscibility gap, including phase separation regions was found to exist in $0.3{\leq}x{\leq}0.86~0.91$, in which lattice constants, binding energy and absorption edges kept almost constant by the same values as those at border compositions. The experimental results on phase transition agreed well with the fraction of ionic character $f_{i}$ based on the Phillips'dielectric theory.

• Journal of the Korean Chemical Society
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• v.55 no.2
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• pp.183-188
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• 2011

The electronic structure and properties of Ni$(C_6H_{4-n}F_n)(CO)_2$ ($C_6H_4$=benzyne, n=1-4) complexes have been investigated using hybrid density functional B3LYP theory. Both aromatic natures and nucleus independent chemical shift (NICS) of the benzyne rings have been analyzed. Among mono-, di-, and tri-fluorinated complexes, 3-F, 3,6-F, and 4-H are the most stable isomers, respectively. NICS values calculated at the several points above the ring centers are consistent with those based on the relative energies of the complexes. The atoms in molecules (AIM) analysis indicates that Ni-C bond distance is well correlated with the electron density of a ring critical point (${\rho}_{rcp}$) in all species.

• Journal of the Microelectronics and Packaging Society
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• v.26 no.4
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• pp.47-53
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• 2019

Stiffness-gradient stretchable electronic packages of the soft PDMS/hard PDMS/PTFE structure were processed using the polydimethylsiloxane (PDMS) as the base substrate and the more stiff polytetrafluoroethylene (PTFE) as the island substrate, and their stretchable deformation-resistance characteristics were characterized. The flip-chip joints, formed by bonding the chip bumps of 50 ㎛-diameter onto the PDMS/PTFE substrate pads, exhibited an average contact resistance of 96 mΩ. When the stretchable package of the soft PDMS/hard PDMS/PTFE structure was deformed to 30% elongation, the strain on the PTFE was restrained to 1%, resulting in a negligible resistance increase of 1% in the daisy-chain circuit formed on the PTFE island substrate. The circuit resistance increased for 1.7% after 2,500 cycles of 0~30% stretchable deformation.

• Bulletin of the Korean Chemical Society
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• v.31 no.12
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• pp.3617-3622
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• 2010

The reaction of stoichiometric amount of $FeCl_2{\cdot}4H_2O$, (2-pyridylmethyl, 3-pyridylmethyl)amine (2,3-pyma) and sodium azide/sodium thiocyanate in methanol under aerobic conditions affords the dinuclear Fe(III) complexes, [(2,3-pyma) $(N_3)_2Fe({\mu}-OCH_3)_2Fe(N_3)_2$(2,3-pyma)]${\cdot}CH_3OH$ (1) and [(2,3-pyma)$(NCS)_2Fe({\mu}-OCH_3)_2Fe(NCS)_2$(2,3-pyma)] (2) in good yield. Two bis-methoxy-bridged diiron(III) complexes are isolated and characterized. The coordination geometries around iron(III) ions in 1 and 2 are the same tetragonally distorted octahedron. The iron(III) ions are coordinated by two nitrogens of a 2,3-pyma, two nitrogens of two azide/thiocyanate ions, and two oxygens of two methoxy groups. Both compounds are isomorphous. The structures of 1 and 2 display the C-$H{\cdots}\pi$ and/or $\pi-\pi$ stacking interactions as well as hydrogen bonding interactions, respectively. Compounds 1 and 2 show significant antiferromagnetic couplings through the bridged methoxy groups between the iron(III) ions in the temperature range from 5 to 300 K ($H=-2JS_1{\cdot}S_2$, J=-19.1 and $-13.9\;cm^{-1}$ for 1 and 2).

• Journal of the korean academy of Pediatric Dentistry
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• v.25 no.1
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• pp.76-92
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• 1998

The purpose of this study was to evaluate the possible efficacy of Nd-YAG laser as a dentin conditioner by observing the laser irradiation dentin surface under scanning electron micrograph and measuring shear bond strength of restored light-cured glass ionomer mold. Fifty intact premolars were prepared for shear bond strength tests. The teeth were randomly divided into five groups as follows; Group I. no treatment Group II. 10% poly acrylic acid, 20 sec Group III. laser treatment 2 w, 20 Hz, 2 sec Group IV. laser treatment 2 w, 20 Hz, 5 sec Group V. laser treatment 2 w, 20 Hz, 10 sec Samples of each group were restored with light-cured glass ionomer cement after dentin conditioning and then measuring the shear bond strength of each specimen were measured using universal testing machine. Additional ten premolars were prepared for SEM analysis The result from the this study can be summarized as follows. 1. Shear bond strength of polyacrylic acid-treated group (II) was significantly higher than other groups (p<0.05). 2. No statistically significant difference could be found between three laser-treated groups (III, IV, V) in shear bond strength(p>0.05) 3. According to the result of observation under SEM, Polyacrylic acid was shown to have removed the smear layer effectively and opened the dentinal tubules, whereas the laser has produced the irregular surface mainly composed of melted and fused structure. The microcracks found in laser-treated groups increased in number with irradiation time and formed the regular mesh-type in 10 sec-irradiation group. 4. The ultrastructural change of dentin surface created by laser irradiation was found to the improper for bonding of the glass ionomer restorative materials. And the lower shear bond strength of laser irradiated group might have been due to the failure to form the suit able dentin surface for the glass ionomer to penetrated into and form the proper micromechanical retention.