• Bulletin of the Korean Chemical Society
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• v.22 no.5
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• pp.455-462
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• 2001

The time-dependent tracking inversion method is studied to extract the potential energy surface of the electronic excited state in the photodissociation of triatomic molecules. Based on the relay of the regularized inversion procedure and time-dependent wave packet propagation, the algorithm extracts the underlying potential energy surface piece by piece by tracking the time-dependent data, which can be synthesized from Raman excitation profiles. We have demonstrated the algorithm to extract the potential energy surface of electronic excited state for NO2 molecule where the wave packet split on a saddle-shaped surface. Finally, we describe the merits of the time-dependent tracking inversion method compared with the time-independent inversion method and discussed several extensions of the algorithm.

• YAKHAK HOEJI
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• v.27 no.1
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• pp.11-19
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• 1983

Rifampicin-arginine complex was prepared to increase the solubility and dissolution rate of rifampicin. Solvation method was applied to make the complex and its formation was identified by the solubility method, powder x-ray diffractometry, differential thermal analysis and spectroscopic determination. The complex was formed in the molar ratio of 1 : 1 which was proved by the slope ratio method and continuous variation method. The complex was a non-crystalline form determined by the x-ray powder diffractometric analysis. The solubility of complex in water was significantly higher than that of rifampicin itself. The stability constant and thermodynamical properties of the complex were determined to investigate the solubilization phenomena. The thermodynamic data showed that the complexation between rifampicin and arginine was an exothermic and spontaneous reaction. Simulated absorption studies carried out through the artificial lipid barrier in artificial gastric and intestinal juices. The results showed that the complex had an enhanced absorption rate of rifampicin nearly twice compared with that of rifampicin itself.

• Journal of Microbiology and Biotechnology
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• v.33 no.5
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• pp.662-667
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• 2023

Allantoin is an abundant component of yams and has been known as a skin protectant due to its pharmacological activities. In previous methods for allantoin determination using high-performance liquid chromatography (HPLC), the separation was unsatisfactory. We herein developed a ¹H quantitative nuclear magnetic resonance (qNMR) method for quantification of allantoin in the flesh and peel of yams. The method was carried out based on the relative ratio of signals integration of allantoin to a certain amount of the internal standard dimethyl sulfone (DMSO₂) and validated in terms of specificity, linearity (range 62.5-2000 ㎍/ml), sensitivity (limit of detection (LOD) and quantification (LOQ) 4.63 and 14.03 ㎍/ml, respectively), precision (RSD% 0.02-0.26), and recovery (86.35-92.11%). The method was then applied for the evaluation of allantoin in flesh and peel extracts of four different yams cultivated in Korea.

• The Bulletin of The Korean Astronomical Society
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• v.44 no.2
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• pp.77.2-77.2
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• 2019

Measurements of supermassive black hole (SMBH) masses are crucial in studying the co-evolution of SMBHs and their host galaxies. Although reverberation mapping is the most accurate method known to date, this requires spectroscopic monitoring over long periods. Thus, the current sample barely reaches three digits. The virial method, on the other hand, uses emission-line and continuum properties from a single spectrum to estimate the SMBH mass; hence the name single-epoch method. The Sloan Digital Sky Survey (SDSS) has observed spectra of almost all quasi-stellar objects (QSOs) discovered so far. Building on previous studies, using the single-epoch method, we estimate the SMBH masses of more than 500,000 QSOs from the SDSS DR14 Quasar Catalog. This increases the mass-estimated SMBH sample almost by a factor of two, and especially more for the low-mass regime, which was the main target of SDSS-IV (eBOSS).

• Journal of the Korean Vacuum Society
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• v.18 no.2
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• pp.133-140
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• 2009

$Ta_{2}O_{5}$ thin films were deposited by RF magnetron sputtering method under various RF power, substrates and oxygen partial pressure. Elliptic constants were measured by using a phase modulated spectroscopic ellipsometer and analyzed with the Tauc-Lorentz dispersion formula and best fit method in the range of 310$\sim$1239 nm. Also, transmittance spectra of the films were measured by UV -Vis spectrophotometer in the range of 300$\sim$1000 nm. From these data, thickness of $Ta_{2}O_{5}$ and surface layer were analyzed and changes of magnitude and shape of dispersion of optical constants according to fabricated conditions were measured. Also, to evaluate thickness and optical constants data analyzed by Tauc-Lorentz dispersion formula, the measured and analyzed transmittance spectra were compared. In result of the comparison, two spectra were in good agreement each other. Accordingly, it indicates that our ellipsometric analysis is valid.

• Journal of the Institute of Electronics Engineers of Korea SP
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• v.39 no.5
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• pp.544-555
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• 2002

The aim of this study is to develop the $^1H$-MRS data postprocessing software for both single-voxel and multi-voxel technique, which plays and important role as a diagnostic tool in clinical field. This software is based on graphical user interface(GUI) under windows operating system of personal computer(PC). In case of single-voxel MRS, both of raw data in time-domain and spectrum data in frequency-domain are simultaneously displayed in a screen. Several functions such as DC correction, zero filling, line broadening, Lorentz-Gauss filtering and phase correction, etc. are included to increase the quality of spectrum data. In case of multi-voxel analysis, spectroscopic image reconstructed by 3-D FFT was displayed as a spectral grid and overlapped over previously obtained T1- or T2-weighted image for the spectra to be spatially registered with the image. The analysis of MRS peaks were performed by obtaining the ratio of peak area. In single-voxel method, statistically processed peak-area ratios of MRS data obtained from normal human brain are presented. Using multi-voxel method, MR spectroscopic image and metabolite image acquired from brain tumor are demonstrated.

• Journal of the Korean Wood Science and Technology
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• v.41 no.4
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• pp.287-292
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• 2013

Reaction of glucose and xylose to secondary hydrolysis of concentrated acid hydrolysis was quantitatively analyzed by $^1H$-NMR spectroscopic method. Anomeric hydrogen, furan and formic acid peaks were selected for quantitative analysis. The glucose was converted to the formic acid and the levulinic acid via the 5-hydroxymethylfurfural (HMF) but the xylose was converted to the fufural, which further degraded to the formic acid. The conversion to furans was slower for the glucose than the xylose. But the 5-HMF formed from the glucose was unstable in acidic aqueous medium, resulted in fast conversion to the levulinic acid and the formic acid. The furfural was relatively stable than 5-HMF at acidic aqueous medium.

• Journal of the Korean Ceramic Society
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• v.39 no.8
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• pp.795-800
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• 2002

Yb:$YCa_4O(BO_3)_3$ (Yb:YCOB) single crystal, in which the concentration of $Yb^{3+}$ ion 20 at%, was grown by the Czocharalski method using an iridium crucible under N2 atmosphere. The optimum growth parameters to get a high quality of single crystals were found to be 1.5∼2 mm/h of pulling rate and 10∼20 rpm of rotation rate. According to the results of spectroscopic properties, absorption edge of Yb:YCOB was 236 nm. Two strong absorption line due to $Yb^{3+}$ ions were observed at 900 and 975 nm. Thermal expansion coefficients of Yb:YCOB crystal along a, b and c crystallographic axes from 320 to 650 K were 12.1${\times}10^{-6}$/K, 5.9${\times}10^{-6}$/K, 12.9${\times}10^{-6}$/K, respectively. Specific heat was 0.162 $cal/g{\cdot}K$ at 330 K.

• Journal of the Korean Chemical Society
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• v.65 no.4
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• pp.254-259
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• 2021

The purpose of this work is the development of a method for an effective, less expensive, rapid, and simultaneous determination of three phenolic compounds (caffeic acid, gallic acid, and quercetin) widely present in food resources and known for their antioxidant powers. The method relies on partial least squares (PLS) calibration of UV-visible spectroscopic data. This model was applied to simultaneously determine, the concentrations of caffeic acid (CA), gallic acid (GA), and quercetin (Q) in six herb infusion extracts: basil, chive, laurel, mint, parsley, and thyme. A wavelength range (250-400) nm, and an experimental calibration matrix with 21 samples of ternary mixtures composed of CA (6.0-21.0 mg/L), GA (10.0-35.2 mg/L), and Q (6.4-17.5 mg/L) were chosen. Spectroscopic data were mean-centered before calibration. Two latent variables were determined using the contiguous block cross-validation procedure after calculating the root mean square error cross-validation RMSECV. Other statistic parameters: RMSEP, R², and Recovery (%) were used to determine the predictive ability of the model. The results obtained demonstrated that UV-visible spectrometry and PLS regression were successfully applied to simultaneously quantify the three phenolic compounds in synthetic ternary mixtures. Moreover, the concentrations of CA, GA and Q in herb infusion extracts were easily predicted and found to be 3.918-18.055, 9.014-23.825, and 9.040-13.350 mg/g of dry sample, respectively.

• Analytical Science and Technology
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• v.34 no.6
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• pp.267-274
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• 2021

Acid-base titration experiments were carried out using the same sample to obtain a direct comparison of analysis results between a new titrator and conventional Spectrator (SPT) titrators. This allowed the confirmation of an endpoint both by spectroscopic detection and by conventional titrators (automatic burette (ABT) and autotitrator (ATT)). Statistical analysis was performed on the measured values (endpoints) obtained using different titrators, to assess their differences by comparison of straightness, equivalence, ANOVA, F-test, and t-test results. The coefficients of determination, confirmed by straightness, were all >0.999. Thus, the null hypothesis that there was no statistical difference could not be rejected. The Bland-Altman analysis method was used to confirm agreement with the new experimental method. No discrepancy was found in the measured values obtained using different titrators used in this study.