• Bulletin of the Korean Chemical Society
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• v.23 no.2
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• pp.309-314
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• 2002

The ablation dynamics and cluster formation of $C_n^+$ ions ejected from 355 nm laser ablation of a graphite target in vacuum are investigated using a reflectron time-of-flight (RTOF) mass spectrometer. At low laser fluence, odd-numbered cluster ions with $3{\leq}n{\leq}15$ are predominantly produced. Increasing the laser fluence shifts the maximum size distribution towards small cluster ions, implying the fragmentation of larger clusters within the hot plume. The temporal evolution of $C_n^+$ ions was measured by varying the delay time of the ion extraction pulse with respect to the laser irradiation, providing significant information on the characteristics of the ablated plume. Above a laser fluence of $0.2J/cm^2$ , large cluster ions ($n{\geq}30$) are produced at relatively long delay times, indicating that atoms or small carbon clusters aggregate during plume propagation. The dependence of the intensity of ablated $C_n^+$ ions on delay time after laser irradiation shows that the most probable velocity of each cluster ion decreases with cluster size.

• Bulletin of the Korean Chemical Society
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• v.28 no.12
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• pp.2343-2353
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• 2007

We report the application of time-dependent density functional theory (TDDFT) to the calculation of potential energy profile relevant to the excited state intramolecular proton transfer (ESIPT) processes in title molecules. The TDDFT single point energy calculations along the reaction path have been performed using the CIS optimized structure in the excited state. In addition to the Stokes shifts, the transition energies including absorption, fluorescence, and 0-0 transition are estimated from the TDDFT potential energy profiles along the proton transfer coordinate. The excited state TDDFT potential energy profile of SA and 3ASA resulted in very flat function of the OH distance in the range ROH = 1.0-1.6 A, in contrast to the relatively deep single minimum function in the ground state. Furthermore, we obtained very shallow double minima in the excited state potential energy profile of SA and 3ASA in contrast to the single minimum observed in the previous work. The change of potential energy profile along the reaction path induced by the substitution of electron donating groups (-NH2 and -OCH3) at different sites has been investigated. Substitution at para position with respect to the phenolic OH group showed strong suppression of excited state proton dislocation compared with unsubstitued SA, while substitution at ortho position hardly affected the shape of the ESIPT curve. The TDDFT results are discussed in comparison with those of CASPT2 method.

• Bulletin of the Korean Chemical Society
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• v.34 no.3
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• pp.863-867
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• 2013

A series of azo disperse dyes having dicyanovinyl groups was synthesized by the Knoevenagel condensation with malononitrile from carbonyl substituted phenylazo disperse dyes which were prepared by conventional diazo coupling reaction of aniline derivatives as diazo components. A variety of coupling components such as anilines, an indole and a pyridone were used. The azo disperse dyes were evaluated for their spectral properties and dyeing assessment on the polyester fabrics. The azo disperse dyes containing dicyanovinyl groups showed bathochromic shifts and darker colors due to increased electron withdrawing strength in their azo components and extended conjugation by dicyanovinyl groups than their parent carbonyl substituted azo dyes. The dyes containing 2-acetylamino-5-methoxy substituent in the coupling component exhibited higher wavelength of maximum absorbance (${\lambda}_{max}$) and significant negative solvatochromism than those of other dyes due to intramolecular hydrogen bonding.

• Bulletin of the Korean Chemical Society
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• v.24 no.2
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• pp.205-208
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• 2003

Laser-induced Raman spectroscopy has been utilized to demonstrate its feasibility for studying the kinetics of imine formation in chloroform solvent. The imine formation, by the nucleophilic addition of primary amine to the carbonyl group of ketone, has been monitored at ten minute intervals for eight hours. The intensity of the C=O stretching mode at 1684 $cm^{-1}$ was measured to determine the rate constant of the reaction. In order to correct the sample-to-sample fluctuations in Raman peak area, this peak was normalized to the C-Cl bending peak at 666 $cm^{-1}$. By the peak area change during the course of reaction, the second order rates at three different temperatures have been determined. The substituent effects on the π conjugations of imine product have also been investigated. On the basis of Raman frequency shifts, the delocalization properties of the aromatic system modified by substitution of a hydrogen atom with -Cl and $-CH_3O$ groups could be clearly understood.

• Applied Chemistry for Engineering
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• v.10 no.4
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• pp.628-634
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• 1999

The orientational binding of ${\omega}$-phenylakylammonium ions to the sodium dodecyl (SDS) micellar interface has been studied from $^{1}H\;NMR$ chemical shift data. The NMR resonaces of the methylene protons of SDS and aromatic protons embedded into the micellar interior have shown the upfield shift. The aromatic induced chemical shifts of the alkyl chain methylene protons of SDS demonstrate the deep penetration into the palisade layer by these organic salts. Alkylammonium groups have been considered to be oriented toward outside of the micellar interface. Aromatic rings have been thought to be oriented toward the micellar core. The depth of penetration by organic salts has been observed to increase with the length of alkyl chain.

• Journal of the Korean Wood Science and Technology
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• v.23 no.1
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• pp.13-20
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• 1995

This study was carried out to investigate the characterization of lignins from waste liquors in SP, KP, ASAM, and AS from Pinus densiflora, Quercus mongolica, and Betula ermanii. Spectroscopic study was applied to examine the lignins separated from different pulping process. Lignin contents in waste liqours increased in order of AS, ASAM, KP, and SP. UV spectra of three types of lignin except AS lignin showed similar pattern. IR spectra of AS lignin showed strong C=O absorptions in the range from 1730 to 1750$cm^{-1}$, where as those of KP, SP, and ASAM showed weak stretch in this region. NMR spectra of AS lignin showed strong characteristic chemical shifts of acetoxyl groups of acetylated aliphatic and aromatic hydroxyl groups at 2.0~2.5 ppm. Molecular weight of ASAM lignin from Pinus densiflora determined and found number average molecular weight 1,199, weight average molecular weight 5,458. z average molecular weight 17,242, and viscosity average molecular weight 5,457. It is considered from the results based on spectroscopic study of lignin that waste liquors (in SP, KP, ASAM and AS) from Pinus densiflora, Quercus mongolica, and Betula ermanii can be used for lignin utilization.

• Journal of the Korean Magnetic Resonance Society
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• v.19 no.3
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• pp.112-118
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• 2015

Hsp31 protein is one of the members of DJ-1 superfamily proteins and has a dimeric structure of which molecular weight (MW) is 62 kDa. The mutation of DJ-1 is closely related to early onset of Parkinson's disease. Hsp31 displays $Zn^{+2}$-binding activity and was first reported to be a holding chaperone in E. coli. Its additional glyoxalase III active has recently been characterized. Moreover, an incubation at $60^{\circ}C$ induces Hsp31 protein to form a high MW oligomer (HMW) in vitro, which accomplishes an elevated holding chaperone activity. The NMR technique is elegant method to probe any local or global structural change of a protein in responses to environmental stresses (heat, pH, and metal). Although the presence of the backbone chemical shifts (bbCSs) is a prerequisite for detailed NMR analyses of the structural changes, general HSQC-based triple resonance experiments could not be used for 62 kDa Hsp31 protein. Here, we prepared the per-deuterated Hsp31 and performed the TROSY-based triple resonance experiments for the bbCSs assignment. Here, detailed processes of per-deuteration and the NMR experiments are described for other similar NMR approaches.

• Journal of the Korean Chemical Society
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• v.38 no.3
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• pp.179-185
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• 1994

The Raman stretching frequency of nitrile group was affected by change of solvents and its in concentration in same solvent. In the case of acetonitrile, nitrile group stretching frequencies were observed in the region of 2247.3∼2254.9 cm-1 with various solvents. While in benzonitrile, they were found in the region of 2226.1∼2230.3$ cm^{-1}. With the addition of water in acetonitrile,νC≡N was shifted to high frequency from 2250.1 cm^{-1} in pure acetonitrile to 2257.7 cm^{-1} in 90% water forwhich had with higher volume % of water caused higher hydrogen-bonded equilibrium between methyl protons and water. The νC≡N frequency for nitrile group was shifted to high frequency by solvent inductive effect with the increasing mixed solvent (CHCl_3/CCl_4)$mole% ratio.

• Bulletin of the Korean Chemical Society
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• v.29 no.7
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• pp.1386-1390
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• 2008

Artemisinin, the effective ingredient of Chinese herb Artemisia annua L (Qinghao in Chinese), has been proved to be effective to antimalarial. Herein, a reliable, sensitive and convenient electrochemical method was developed for the determination of artemisinin utilizing the excellent properties of multi-wall carbon nanotube (MWNT). The electrochemical behavior of artemisinin was investigated. It is found that the reduction peak current of artemisinin remarkably increases and the peak potential shifts positively by 240 mV at the MWNT film-modified electrode. These phenomena indicate that the MWNT film exhibits efficient catalytic activity to the electrochemical reduction of artemisinin. The effects of pH value, amount of MWNT, scan rate and accumulation time were examined. The limit of detection (S/N = 3) is as low as 10 $\mu$ g $L^{-1}$. Finally, this newly developed method was used to determine the content of artemisinin in Artemisia annua L.

• Korean Journal of Materials Research
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• v.18 no.8
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• pp.450-453
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• 2008

Mg-doped and In-Mg co-doped p-type GaN epilayers were grown in a low-pressure metal organic chemical vapor deposition technique. The effect of In doping on the p-GaN layer was studied through photoluminescence (PL), persistent photoconductivity (PPC), and transmission electron microscopy (TEM) at room temperature. For the In-doped p-GaN layer, the PL intensity increases significantly and the peak position shifts to 3.2 eV from 2.95 eV of conventional p-GaN. Additionally, In doping greatly reduces the PPC, which was very strong in conventional p-GaN. A reduction in the dislocation density is also evidenced upon In doping in p-GaN according to TEM images. The improved optical properties of the In-doped p-GaN layer are attributed to the high crystalline quality and to the active participation of incorporated Mg atoms.