• Bulletin of the Korean Chemical Society
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• v.33 no.9
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• pp.2981-2984
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• 2012

Active site mapping has been done for ${\Delta}^5$-3-ketosteroid isomerase (KSI) by analyses of paramagnetic effect on $^1H-^{15}N$ HSQC spectra using 4-hydroxyl-2,2,6,6-tetramethylpiperidinyl-1-oxy (HyTEMPO) and an intermediate analog (equilenin). Our result revealed that residues in hydrophobic cavity of KSI, particularly active site region, mainly experienced a high line-broadening effect of NMR signal with HyTEMPO, while they experienced full recovery of a lineshape upon the addition of equilenin. The mapped region was very similar to the active site of KSI as described by the crystal structure. These observations indicate that a combined use of paramagnetic reagent and substrate (or analog) could rapidly identify the residues in potential active site of KSI, and can be applied to the analysis of both active site and function in unknown protein.

• Bulletin of the Korean Chemical Society
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• v.25 no.5
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• pp.609-616
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• 2004

Complexation of cesium ion by p-tert-butylcalix[6]arene ethyl ester was studied by NMR spectroscopy in nonpolar $CDCl_3$ and polar acetone-$d_6$ and the results were compared with each other. Analysis of temperature dependent $^1H$ spectra and titration curves reveals that both solvents result in a 1 : 1 cone-form complex with nonpolar $CDCl_3$yielding a more tightly bound one than acetone-$d_6$. Unexpectedly, at very low temperature, we have found that two phenyl ring proton peaks of equal intensity appear both in $CDCl_3$and in acetone-$d_6$ solution which gradually collapse and eventually coalesce into a single line as temperature is raised. This observation could be interpreted in terms of the chemical exchange through direct and/or indirect interconversion between two equivalent conformations possible the complex in both solvents over the temperature range observed. And broadening of $^{133}Cs$ (I = 7/2) nmr line with increasing temperature has also been observed, indicating the exchange of $^{133}Cs$ ion between the complex and the solvent. From numerical fitting of lineshape changes for one-dimensional $^1H$ and $^{133}Cs$ spectra, the exchange rate constants and other relevant parameters for this conformational interconversion and the complex-solvent exchange were deduced.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2003.07a
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• pp.84-87
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• 2003

HgTe quantum dots(QDs) were synthesized in aqueous solution by colloidal method. The absorption and photoluminescence(PL) spectrum of the synthesized HgTe QDs revealed the strong exitonic peak in the IR region. And the photocurrent measurement of colloidal QDs are performed using IR light source. The lineshape of the wavelength dependent intensity of photocurrent was very similar to the absorption spectrum, indicating the charges generated by the absorption of photons give direct contribution to photocurrent. The channels of dark current are supposed $H_2O$ containing in thiol by the remarkable drop of current at the state of vacuum. It was thought that the proper passivation layer on the top of HgTe film reduce the dark current and the adequate choice of capping material improves the efficiency of the photocurrent in the HgTe QDs. This study suggests that HgTe QDs are very prospective materials for optoelectronics including photodetectors in the IR range.

• Rapid Communication in Photoscience
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• v.4 no.3
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• pp.54-58
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• 2015

Under the condition of femtosecond impulsive nonlinear optical irradiation, the bright and narrowed blue emission of silicon nanocrystal was observed. This synthetic method produced very small (~ 4 nm) oxide-capped silicon nanocrystal having probably ultra small emitting core (~ 1 nm) inferred from luminescence. By controlling the stirring condition, very high efficiencies of luminescence ( 4 fold higher) were obtained compared with the other conventional femtosecond laser fragmentation methods, which was attributed to the differences in hydration shell structure during the femtosecond laser induced irreversible phase transition reaction. When we properly adjusted the irradiation times of the white light continuum and stirring condition, very homogeneous luminescent silicon nanocrystal bands having relatively sharp lineshape were obtained, which can be attributable to the luminescent core site isolated and free from the surface defects.

• Journal of the Korean Chemical Society
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• v.37 no.1
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• pp.43-48
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• 1993

The $^1H-NMR$ spectra of the NH-group were obtained for N-ethylacetamide (NEAA) in the series of n-alcohols over a temperature range of 310∼350K by using NMR spectroscopy. The $^1H-NMR$ lineshape coupled to $^{14}N$ nucleus were analyzed to obtain the reorientational correlation times ${\tau}_c$ of NEAA. The data indicate that the coupling of solute and solvent decreases as the chain length of n-alcohols increases. But in the n-alcohols the reorientational motion depends almost linearly on η/T of solvents over our temperature range. The results are discussed in the context of the subslip phenomenon.

• Bulletin of the Korean Chemical Society
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• v.16 no.3
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• pp.265-269
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• 1995

Complexation of ortho-xylyl-17-crown-5 (X17C5) with alkali metal ions in acetonitrile was studied by 7Li and 23Na NMR spectroscopy. The complex formation constants of X17C5 with LiI, LiSCN, NaI, and NaSCN were determined by investigating the changes in the chemical shifts as a function of the concentration ratio of X17C5 to metal ion. It was found that X17C5 forms 1:1 complex with Li+ and Na+ ions and the log Kf's for the complexation with LiI, LiSCN, NaI, and NaSCN were determined to be 2.88, 2.43, 2.53, and 2.30, respectively. In particular, the kinetics of complexation of X17C5 with Na+ was investigated by the method of 23Na NMR lineshape analysis. Activation energies were determined from Arrhenius plot of the resultant rate constant data to be 25.4 kJ/mol for NaI and 15.1 kJ/mol for NaSCN. Other kinetic parameters were also calculated by employing the Eyring equation. The decomplexation rates measured were 1.82 × 104 M-1s-1 for NaI and 1.50 × 104 M-1s-1 for NaSCN. It is concluded that the decomplexation mechanism is predominantly a bimolecular cation exchange for both cases.

• Journal of the Korean Chemical Society
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• v.33 no.2
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• pp.149-155
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• 1989

1H-nmr chemical shifts and lineshapes of amino-protons of thioacetamide in n-alcohols were determined. The chemical shifts are discussed by the Reichardt's solvent polarity parameter, $E_T(30)$. The following relationship between ${delta}_{obs}\;and\;E_T(30)$ was obtained, ${\delta}_{obs}=a{\cdot}E_T(30)＋b{\cdot}(E_T(30))_2$ where a is a characteristic constant for the protons of thioacetamide in n-alcohol solutions and b is a constant for the solute(TA)-solvent (n-alcohols) interactions. The barrier of the hindered rotation about the N-C(S) bond in TA was obtained by analysis of the lineshape of the amino-protons in TA. The behavior of the hindered rotation as well as chemical shifts of the amino-protons in TA has been found to be closely related to the $E_T(30)$ of n-alcohols.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.8 no.4
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• pp.525-531
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• 1998

A series of $LiNbO_3$ single crystals were grown by the Czochralski method from a congruent melt, a congruent melt with 0.05 mol% $Fe_2O_3$, a congruent melt with 6 wt.% $K_2O$ and a congruent melt with 6 wt.% $K_2O$ and 0.05 mol% $Fe_2O_3$ respectively. The growth of $LiNbO_3$ crystal from a congruent melt 6 wt.% $K_2O$ leads to nearly stoichiometric specimens. This is established by studying the following properties; XRD patterns, temperature dependences of the phase transition temperature, energy of the fundamental absorption edge, the shape of the absorption band of the $OH^-$vibration and linewidths of the ESR of $Fe_{Li}^{3+}$.

• Korean Journal of Optics and Photonics
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• v.19 no.4
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• pp.334-340
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• 2008

We investigated the electromagnetically induced transparency (EIT) and the Hanle spectrum in a paraffin coated Rb vapor cell. The EIT spectrum was observed in the $F_g=2$, $3{\rightarrow}F_e=3$ transition of the $^{85}Rb$ $D_1$-line by using two independent external cavity diode lasers, and the Hanle spectrum was observed by using one external cavity diode laser in the $\Lambda$-type scheme between the Zeeman sublevels of the $F_g=2{\rightarrow}F_e=1$ transition of the $^{87}Rb$ $D_1$-line. In the Hanle spectrum, we could observe the dual-structured spectrum in the paraffin coated vapor cell. We investigated the dual-structured lineshape by applying an external magnetic field, and varying the direction of the magnetic field. The narrow linewidth of dual-structured EIT was measured to be approximately 200 Hz.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.6 no.3
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• pp.327-340
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• 1996

In this study, a series of $LiNbO_{3}$ crystals with different [Li]/[Nb] ratios, congruent $LiNbO_{3}$ crystals with doped Mg and with Mg and codoped with Mn were grown by the Czocharalski method. These were investigated by UV and IR spectrophotometry. Stoichiometry dependences of the UV absorption edge and the $OH^{-}$ absorption spectra were studied with different [Li]/[Nb] ratios. The position of the UV absorption edge adn the shape and peak point of the $OH^{-}$ absorption spectra changed monotonously upto a critical concentration of Mg ions. The mechanism of the incorporation of Mg ions changes at this concentration. The decomposition of the $OH^{-}$ absorption spectra using a Gaussian lineshape function showed that in Li-deficient crystals the absorption spectra consist of five components in contrast to more or less perfect stoichiometric crystals which reveal to three components. On the basis of these results, the intrinsic and the extrinsic defect structure models in $LiNbO_{3}$ crystals were examined. The behaviour of $\nu$ (OH) reflects the defect structure and supports the Li-site vacancy model as the intrinsic defect structure model and the corresponding extrinsic defect model. A brief discussion is also given of the behaviour of $\nu$ (OH) in $LiNbO_{3}$ crystals simultaneously doped with several kinds of impurity.