• Bulletin of the Korean Chemical Society
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• v.29 no.7
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• pp.1374-1378
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• 2008

Using DFT B3LYP/6-31+G(d,p)//B3LYP/6-31G(d,p) calculation method, stable molecular structures were optimized for the p-tert-butylcalix[4]arene functionalized at lower rim by cage-annulated crown ether (1) in two different conformers and their potassium-ion complexes. Cone conformer of free host 1 was slightly more stable than partial-cone conformer. For two different kinds of complexation mode, the potassium ion in benzene-rings (bz) pocket showed comparable complexation efficiency with the cation in cage-annulated crown-ether (cr) for the cone and partial-cone conformers of 1. The complex (1${\bullet}K^+$) in the cr-binding mode for the partial-cone conformer was more stable than the cone conformer for B3LYP/6-31G(d,p) geometry optimization. However, $1_{(cone)}{\bullet}K^+$(cr) showed lower single-point energy than the $1_{(pc)}{\bullet}K^+$(cr) for B3LYP/6- 31+G(d,p) calculation method.

• Bulletin of the Korean Chemical Society
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• v.30 no.8
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• pp.1835-1838
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• 2009

Inhibition of human phenylethanolamine N-methyltransferase (hPNMT) has been proposed as a method for the treatment of several mental processes which related on adrenaline metabolism. We performed in silico screening to identify flavonoid inhibitors of hPNMT using automated docking method and selected 9 inhibitor candidates based on ligand score (LigScore) and binding free energy (${\Delta}G_{bind}$) estimation. Among 9 flavonoid candidates, 7 flavonoids belong to flavones while the rest of them belong to flavanone. All candidates have common chemical features; two hydrogen bond interactions with side chain of Lys75 and backbone carbonyl oxygen of Asn39, and two hydrophobic interactions. One hydrophobic site is formed by Val53, Leu262, and Met258 and the other is made up of Phe182, Ala186, Tyr222, and Val269. This study can be helpful to understand the structural features for inhibition of PNMT and showed flavonoids as promising inhibitor candidates for hPNMT.

• Journal of Ginseng Research
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• v.41 no.3
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• pp.330-338
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• 2017

Background: Ginsenoside Rh2 (G-Rh2) is a ginseng saponin that is widely investigated because of its remarkable antitumor activity. However, the molecular mechanism by which (20S) G-Rh2 triggers its functions and how target animals avoid its cytotoxic action remains largely unknown. Methods: Phage display was used to screen the human targets of (20S) G-Rh2. Fluorescence spectroscopy and UV-visible absorption spectroscopy were used to confirm the interaction of candidate target proteins and (20S) G-Rh2. Molecular docking was utilized to calculate the estimated free energy of binding and to structurally visualize their interactions. MTT assay and immunoblotting were used to assess whether human serum albumin (HSA), bovine serum albumin (BSA), and bovine serum can reduce the cytotoxic activity of (20S) G-Rh2 in HepG2 cells. Results: In phage display, (20S) G-Rh2-beads and (20R) G-Rh2-beads were combined with numerous kinds of phages, and a total of 111 different human complementary DNAs (cDNA) were identified, including HSA which had the highest rate. The binding constant and number of binding site in the interaction between (20S)-Rh2 and HSA were $3.5{\times}10^5M^{-1}$ and 1, and those in the interaction between (20S) G-Rh2 and BSA were $1.4{\times}10^5M^{-1}$ and 1. The quenching mechanism is static quenching. HSA, BSA and bovine serum significantly reduced the proapoptotic effect of (20S) G-Rh2. Conclusion: HSA and BSA interact with (20S) G-Rh2. Serum inhibited the activity of (20S) G-Rh2 mainly due to the interaction between (20S) G-Rh2 and serum albumin (SA). This study proposes that HSA may enhance (20S) G-Rh2 water solubility, and thus might be used as nanoparticles in the (20S) G-Rh2 delivery process.

• Korean Journal of Materials Research
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• v.22 no.12
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• pp.696-700
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• 2012

(Na, K) $NbO_3$ thick film was successfully achieved using a sol-gel coating process with the addition of polyvinylpyrrolidone (PVP) to a metal alkoxide solution. The transparent coating solution, mixed with Nb:PVP = 1:1 in a molar ration, was synthesized by evaporating the solvent to over 62.5 wt%. Additive PVP increased the viscosity of the solution so that the coating thickness could be enhanced. The thickness of the (Na, K) $NbO_3$ film assisted by PVP was ca. 320 nm at the time of deposition; this value is four times thicker than that of the sample fabricated without PVP. Also, due to PVP binding with the OH groups of the metal alkoxide, the condensation reaction in the film was suppressed. The crystalline size of the (Na, K) $NbO_3$ films assisted by PVP was ca. 15 nm smaller than that of the film fabricated without PVP. After the sintering process at $700^{\circ}C$, the (Na, K) $NbO_3$ films were mainly composed of randomly oriented (Na, K) $NbO_3$ phase of perovskite crystal structure, including a somewhat secondary phase of $K_2Nb_4O_{11}$. However, by adding PVP, the content of the secondary phase became quite smaller than that of the sample without PVP. It was thought that the addition of PVP might have the effect of restraining the loss of potassium and that PVP could hold metalloxane by strong hydrogen bonding before complete decomposition. Therefore, the film thickness of the (Na, K) $NbO_3$ films could be considerably advanced and made more crack-free by the addition of PVP.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.14 no.6
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• pp.445-454
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• 2001

The stochiometric mix of evaporating materials for the CuInSe$_2$ single crystal thin films was prepared from horizontal furnace. To obtain the single crystal thin films, CuInSe$_2$ mixed crystal was deposited on thoroughly etched semi-insulating GaAs(100) substrate by the Hot Wall Epitaxy(HWE) system. The source and substrate temperature were 62$0^{\circ}C$ and 41$0^{\circ}C$, respectively. The crystalline structure of single crystal thin films was investigated by the photoluminescence and double crystal X-ray diffraction (DCXD). The carrier density and mobility of CuInSe$_2$ single crystal thin films measured from Hall effect fby van der Pauw method are 9.62x10$^{16}$ cm$^{-3}$ , 296$\textrm{cm}^2$/V.s at 293 K, respectively. From the photocurrent spectrum by illumination of perpendicular light on the c-axis of the CuInSe$_2$ single crystal thin film we have found that he values of spin orbit splitting ΔSo and the crystal field splitting ΔCr were 6.1 meV and 175.2 meV at 10K, respectively. From the photoluminescence measurement on CuInSe$_2$ single crystal thin film we observed free excition (Ex) existing only high quality crystal and neutral bound exiciton (D$^{\circ}$,X) having very strong peak intensity. Then, the full-width-at-half-maximum(FWHM) and binding energy of neutral donor bound excition were 7meV and 5.9meV, respectivity. by Haynes rule, an activation energy of impurity was 50 meV.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2006.11a
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• pp.125-126
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• 2006

The stochiometric mix of evaporating materials for the $CdGa_2Se_4$ single crystal thin films was prepared from horizontal furnace. To obtain the single crystal thin films. $CdGa_2Se_4$ mixed crystal was deposited on thoroughly etched semi-insulating GaAs(100) substrate by the Hot Wall Epitaxy (HWE) system. The source and substrate temperature were $630^{\circ}C$ and $420^{\circ}C$, respectively. The crystalline structure of single crystal thin films was investigated by the photoluminescence and double crystal X-ray diffraction (DCXD). The carrier density and mobility of $CdGa_2Se_4$ single crystal thin films measured from Hall effect by van der Pauw method are $8.27{\times}10^{17}cm^{-3}$. $345cm^2/V{\cdot}s$ at 293 K, respectively. From the photoluminescence measurement on $CdGa_2Se_4$ single crystal thin film, we observed free excition ($E_x$) existing only high quality crystal and neutral bound exiciton ($D^{\circ},X$) having very strong peak intensity. Then. the full-width-at -half-maximum(FWHM) and binding energy of neutral donor bound excition were 8 meV and 13.7 meV, respectivity. By Haynes rule. an activation energy of impurity was 137 meV.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2002.07a
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• pp.266-272
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• 2002

The stochiometric mixture of evaporating materials for the ZnIn$_2$S$_4$ single crystal thin film was prepared from horizontal furnace. To obtain the ZnIn$_2$S$_4$ single crystal thin film, ZnIn$_2$S$_4$ mixed crystal was deposited on throughly etched semi-insulating GaAs(100) in the Hot Wall Epitaxy(HWE) system. The source and substrate temperature were 610 $^{\circ}C$ and 450 $^{\circ}C$, respectively and the growth rate of the ZnIn$_2$S$_4$ single crystal thin film was about 0.5 $\mu\textrm{m}$/hr. The crystalline structure of ZnIn$_2$S$_4$ single crystal thin film was investigated by photo1uminescence and double crystal X-ray diffraction(DCXD) measurement. The carrier density and mobility of ZnIn$_2$S$_4$ single crystal thin film measured from Hall effect by van der Pauw method are 8.51${\times}$10$\^$17/ cm$\^$-3/, 291 $\textrm{cm}^2$/V$.$s at 293 $^{\circ}$K, respectively. From the photocurrent spectrum by illumination of perpendicular light on the c - axis of the ZnIn$_2$S$_4$ single crystal thin film, we have found that the values of spin orbit splitting ΔSo and the crystal field splitting ΔCr were 0.0148 eV and 0.1678 eV at 10 $^{\circ}$K, respectively. From the photoluminescence measurement of ZnIn$_2$S$_4$ single crystal thin film, we observed free excition (E$\_$X/) typically observed only in high quality crystal and neutral donor bound exciton (D$^{\circ}$,X) having very strong peak intensity. The full width at half maximum and binding energy of neutral donor bound excition were 9 meV and 26 meV, respectively. The activation energy of impurity measured by Haynes rule was 130 meV.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2004.11a
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• pp.171-174
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• 2004

The stochiometric $AgGaSe_2$ polycrystalline mixture of evaporating materials for the $AgGaSe_2$ single crystal thin film was prepared from horizontal furnace. To obtain the single crystal thin films, $AgGaSe_2$ mixed crystal and semi-insulating GaAs(100) wafer were used as source material and substrate for the Hot Wall Epitaxy (HWE) system, respectively. The source and substrate temperature were fixed at $630^{\circ}C$ and $420^{\circ}C$, respectively. The thickness of grown single crystal thin films is $2.1{\mu}m$. The single crystal thin films were investigated by photoluminescence and double crystal X-ray diffraction(DCXD) measurement. The carrier density and mobility of $AgGaSe_2$ single crystal thin films measured from Hall effect by van der Pauw method are $4.89{\times}10^{17}\;cm^{-3},\;129cm^2/V{\cdot}s$ at 293K, respectively. From the photocurrent spectrum by illumination of perpendicular light on the c - axis of the $AgGaSe_2$ single crystal thin film, we have found that the values of spin orbit splitting ${\Delta}S_o$ and the crystal field splitting ${\Delta}C_r$ were 0.1762 eV and 0.2494 eV at 10 K, respectively. From the photoluminescence measurement of $AgGaSe_2$ single crystal thin film, we observed free excition $(E_X)$ observable only in high quality crystal and neutral bound exciton $(D^o,X)$ having very strong peak intensity And, the full width at half maximum and binding energy of neutral donor bound excition were 8 meV and 14.1 meV, respectively. By Haynes rule, an activation energy of impurity was 141 meV.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2001.11b
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• pp.163-166
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• 2001

The stochiometric mix of evaporating materials for the $ZnGa_{2}Se_{4}$ single crystal thin films was prepared from horizontal furnace. To obtain the single crystal thin films, $ZnGa_{2}Se_{4}$ mixed crystal was deposited on thoroughly etched semi-insulating GaAs(100) substrate by the Hot Wall Epitaxy (HWE) system. The source and substrate temperature were $610^{\circ}C$ and $450^{\circ}C$, respectively. The crystalline structure of single crystal thin films was investigated by the photoluminescence and double crystal X-ray diffraction (DCXD). The carrier density and mobility of $ZnGa_{2}Se_{4}$ single crystal trun films measured from Hall effect by van der Pauw method are $9.63{\times}10^{17}cm^{-3}$, $296cm^{2}/V{\cdot}s$ at 293 K, respectively. From the photocurrent spectrum by illumination of perpendicular light on the c axis of the $ZnGa_{2}Se_{4}$ single crystal thin film, we have found that the values of spin orbit splitting $\Delta$ So and the crystal field splitting $\Delta$Cr were 251.9 meV and 183.2 meV at 10 K, respectively. From the photoluminescence measurement on $ZnGa_{2}Se_{4}$ single crystal thin film, we observed free excition (Ex) existing only high quality crystal and neutral bound exiciton $(A^{0},X)$ having very strong peak intensity. Then, the full-width-at -half-maximum(FWHM) and binding energy of neutral acceptor bound excition were 11 meV and 24.4 meV, respectivity. By Haynes rule, an activation energy of impurity was 122 meV.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2001.11b
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• pp.167-170
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• 2001

The stochiometric mix of evaporating materials for the $CdGa_{2}Se_{4}$ single crystal thin films was prepared from horizontal furnace. To obtain the single crystal thin films, $CdGa_{2}Se_{4}$ mixed crystal was deposited on thoroughly etched semi-insulating GaAs(100) substrate by the Hot Wall Epitaxy (HWE) system. The source and substrate temperature were $630^{\circ}C$ and $420^{\circ}C$, respectively. The crystalline structure of single crystal thin films was investigated by the photoluminescence and double crystal X-ray diffraction (DCXD). The carrier density and mobility of $CdGa_{2}Se_{4}$ single crystal thin films measured from Hall effect by van der Pauw method are $8.27{\times}10^{17}cm^{-3},345cm^{2}/V{\cdot}s$ at 293 K, respectively. From the photocurrent spectrum by illumination of perpendicular light on the c-axis of the $CuInSe_{2}$ single crystal thin film, we have found that the values of spin orbit splitting $\Delta$ So and the crystal field splitting $\Delta$Cr were 106.5 meV and 418.9 meV at 10 K, respectively. From the photoluminescence measurement on $CdGa_{2}Se_{4}$ single crystal thin film, we observed free excition (Ex) existing only high Quality crystal and neutral bound exiciton $(D^{0},X)$ having very strong peak intensity. Then, the full-width-at-half-maximum(FWHM) and binding energy of neutral donor bound excition were 8 meV and 13.7 meV, respectivity. By Haynes rule, an activation energy of impurity was 137 meV.