• Bulletin of the Korean Chemical Society
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• v.28 no.5
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• pp.791-794
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• 2007

A new azocalix[4]arene, 5,14,17,23-tetra[(2-benzoic acid)(azo)phenyl] calix[4]arene (2), has been prepared by hydrolysis of its ester derivative and characterized by 1H NMR, IR, UV-Vis spectroscopy and elemental analysis. Based on UV spectral changes, we found that 2 exhibits Pb2+ ion selectivity. In basic media, Pb2+ forms a 1:1 complex with the ligand. Beer's law is obeyed in the range of 2.0 × 10?6 ? 2.4 × 10?5 mol L?1 of Pb2+. The molar absorptivity (ε ) of 2-Pb2+ complex is 1.89 × 104 L mol?1 cm?1 at 440 nm, and the detection limit is 1.6 × 10?6 mol L?1.

• Journal of Biosystems Engineering
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• v.26 no.5
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• pp.475-480
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• 2001

Sensing soil organic matter is crucial for precision farming and environment friendly agriculture. Near infra-red(NIR) was utilized to measure the soil organic matter. Multivariate calibration methods, including stepwise multiple linear regression(MLR), principal components recession(PCR) and partial least squares regression(PLS), were applied to soil spectral reflectance data to predict the organic matter content. The effect of soil particle size and water content was studied. The range of soil organic matter contents was from 0.5 to 11%. Near infrared (NIR) region from 700 to 2,500nm was applied. For uniform soil particle size, result had good correlation (R$\^$2/ = 0.984, standard error of prediction= 0.596). The effect of soil particle size could be eliminated with 1st order derivative of the NIR signal. However. moist soil had a little lower correlation. R$\^$2/ was 0.95 and standard error of prediction was 0.94% using the PLS method. The results showed the possibility of soil organic matter measurement using NIR reflectance on the field.

• Journal of The Korean Astronomical Society
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• v.54 no.1
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• pp.1-8
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• 2021

We report X-ray timing and spectral properties of the pulsar PSR J0205+6449 measured using NuSTAR and Chandra observatories. We measure the pulsar's rotation frequency ν = 15.20102357(9) s-1 and its derivative $\dot{\nu}=-4.5(1){\times}10^{-11}\;s^{-2}$ during the observation period, and model the 2-30 keV on-pulse spectrum of the pulsar with a power law having a photon index Γpsr = 1.07 ± 0.16 and a 2-30 keV flux F2-30 keV = 7.3±0.6 × 10-13 erg cm-2 s-1. The Chandra 0.5-10 keV data are analyzed for an investigation of the pulsar's thermal emission properties. We use thermal and non-thermal emission models to fit the Chandra spectra and infer the surface temperature T∞ and luminosity Lth of the neutron star to be T∞ = 0.5 - 0.8 MK and Lth = 1 - 5 × 1032 erg s-1. This agrees with previous results which indicated that PSR J0205+6449 has a low surface temperature and luminosity for its age of 800-5600 yrs.

• Archives of Pharmacal Research
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• v.13 no.4
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• pp.351-354
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• 1990

2, 3-diphenyl-4-cyano-pyrrole-5-thione (4) was either by the reaction of benzoin (1) and cyanothioacetamide (3) followed by cyclization using AcOH/sodium acetate or by refluxing a mixture of benzoin (1) and cyanothioacethamide in pyridine to afford directly 4. Several new pyrrole and pyrazole derivatives were synthesised using 4 as synthon. The structure of the newly synthesised derivatives were based on celemental and spectral data studies. Methylation of the SH group in 4 afforded 5. Reaction of 4 with ethyl bromo acetate afforded (6). Treatment of (5) and (6) with hydrazine hydrate afforded the same pyrazole derivative (10) through the intermediate (9). Treatment of 6 with aniline and phenylhydrazine afforded the pyrrole derivatives 8a, b respectively. Treatment of 6 while dill HCI gave 2, 3-diphenyl-4-cyano-pyrrole-5-one (7). Treatment of 6 with $NH_3$/EtOH afforded the amidic derivatives (11) with treatment of 6 $NH_3$/ heat then acidification it gave the carboxylic derivatives (12).

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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• 2001.06a
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• pp.1131-1131
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• 2001

To develop a nondestructive quality evaluation technique of fruits, a K-mean algorism is applied to near infrared (NIR) spectroscopy of apples. The K-mean algorism is one of neural network partition methods and the goal is to partition the set of objects O into K disjoint clusters, where K is assumed to be known a priori. The algorism introduced by Macqueen draws an initial partition of the objects at random. It then computes the cluster centroids, assigns objects to the closest of them and iterates until a local minimum is obtained. The advantage of using neural network is that the spectra at the wavelengths having absorptions against chemical bonds including C-H and O-H types can be selected directly as input data. In conventional multiple regression approaches, the first wavelength is selected manually around the absorbance wavelengths as showing a high correlation coefficient between the NIR $2^{nd}$ derivative spectrum and Brix value with a single regression. After that, the second and following wavelengths are selected statistically as the calibration equation shows a high correlation. Therefore, the second and following wavelengths are selected not in a NIR spectroscopic way but in a statistical way. In this research, the spectra at the six wavelengths including 900, 904, 914, 990, 1000 and 1016nm are selected as input data for K-mean analysis. 904nm is selected because the wavelength shows the highest correlation coefficients and is regarded as the absorbance wavelength. The others are selected because they show relatively high correlation coefficients and are revealed as the absorbance wavelengths against the chemical structures by B. G. Osborne. The experiment was performed with two phases. In first phase, a reflectance was acquired using fiber optics. The reflectance was calculated by comparing near infrared energy reflected from a Teflon sphere as a standard reference, and the $2^{nd}$ derivative spectra were used for K-mean analysis. Samples are intact 67 apples which are called Fuji and cultivated in Aomori prefecture in Japan. In second phase, the Brix values were measured with a commercially available refractometer in order to estimate the result of K-mean approach. The result shows a partition of the spectral data sets of 67 samples into eight clusters, and the apples are classified into samples having high Brix value and low Brix value. Consequently, the K-mean analysis realized the classification of apples on the basis of the Brix values.

• Journal of the Korean earth science society
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• v.28 no.7
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• pp.936-946
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• 2007

Analytical geopotential field in balance with the sectoral mode (the first symmetric mode with respect to the equator) of the Rossby-Haurwitz wave on the inclined rotation axis was derived in presence of superrotation background flow. The balanced field was obtained by inverting the divergence equation with the time derivative being zero. The inversion consists of two steps, i.e., the evaluation of nonlinear forcing terms and the finding of analytical solutions based on the Poisson's equation. In the second step, the forcing terms in the from of Legendre function were readily inverted due to the fact that Legendre function is the eigenfunction of the spherical Laplacian operator, while other terms were solved either by introducing a trial function or by integrating the Legendre equation. The balanced field was found to be expressed with six zonal wavenumber components, and shown to be of asymmetric structure about the equator. In association with asymmetricity, the advantageous point of the balanced field as a validation method for the numerical model was addressed. In special cases where the strength of the background flow is a half of or exactly the same as the rotation rate of the Earth it was revealed that one of the zonal wavenumber components vanishes. The analytical balanced field was compared with the geopotential field which was obtained using a spherical harmonics spectral model. It was found that the normalized difference lied in the order of machine rounding, indicating the reliability of the analytical results. The stability of the sectoral mode of Rossby-Haurwitz wave and the associated balanced field was discussed, comparing with the flrst antisymmetric mode.

• Journal of Korean Society of Environmental Engineers
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• v.39 no.7
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• pp.426-439
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• 2017

This review summarizes advantage and limitation in infrared spectroscopy and computational chemistry to understand rhizospheric interaction among organic acids, oxyanions and metal oxides. Since organic acids and metal oxides determine dynamics of oxyanions in the soil environment, knowledge of fundamental mechanisms is a prerequisite for understanding the interactions at soil-water interface. Attenuated total reflectance-fourier transform infrared spectroscopy (ATR-FTIR) is a powerful tool to measure the interfacial reactions. However, the ATR-FTIR measurements are abstruse, because the optical characteristics for measurements are variable depending on the experimental setup. In addition, spectral overlapping is a primary obstacle to the analysis of the interfacial reaction; thus, it is essential to detect and to deconvolute bands for signal interpretation. In this review, we expained the fundamental principle for spectrum processing, and four band identification methods, such as derivative spectroscopy, two-dimension correlation spectroscopy, multivariate curve resolution, and computational chemistry with example of aqueous phosphate speciation. As a result, spectrum processing and computational chemistry improved interpretation and spectral deconvolution of overlapped spectra in relatively simple systems, but it was still unsatisfactory for the problems in more complexed system like nature. Nevertheless, we believed that our challenge would contribute practically to develop adequate analytical procedure, signal processing and protocols that could help to improve interpretation and to understand the interfacial interactions of oxyanions in natural systems.

• Near Infrared Analysis
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• v.2 no.1
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• pp.37-42
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• 2001

Near infrared spectroscopy (NIRS) was applied to determination of the lipid content of the compost during the compost fermentation of tofu (soybean0curd) refuse. The absorption of lipid observed at 5 wavelengths, 1208, 1712, 1772, 2312 and 2352 nm on the second derivative spectra. To formulated a calibration equation, a multiple linear regression analysis was carried out between the near-infrared spectral data and on the lipid content in the calibration sample set (sample number, n=60) obtained using Soxhlet extraction method. The value of the multiple correlation coefficient (R) was 0.975 when using the wavelengths of 1208 and 1712 nm were used in the calibration equation. To validate the calibration equation obtained, the lipid content in the validation sample set (n=35) not used for formulating the calibration equation was calculated using the calibration equation, and compared with the value obtained using the Soxhlet extraction method. Good agreement was observed between the results of the Soxhlet extraction method and those values of the NIRS method. The simple correlation coefficient (r) and standard error of prediction (SEP) were 0.964 and 0.815 %, respectively. suitability of the lipid content as an indicator of the compost fermentation of tofu refuse was also studied. The decrease of the lipid content in the compost corresponded to the decrease of the total dry weight of the compost in the composter. The lipid content was a significant indicator of the compost fermentation. The NIRS method was applied to measure the time course of the lipid content in the compost fermentation and good results were obtained. The study indicates that NIRS is a useful method for process management of the compost fermentation of tofu refuse.

• Journal of the Korean Chemical Society
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• v.52 no.3
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• pp.249-256
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• 2008

3-Acetyl/Formyl 4-hydroxy-2H(1)-benzopyran-2-one on treatment with malonitrile and ethyl cyanoacetate yielded 1,1-dicyano-2-[4/-hydroxy-2/H(1)-benzopyran-2/-one-3/-yl] ethene/propene 2a-h and ethyl-2-cyano-3-[4/-hydroxy-2/H (1)-benzopyran-2/-one-3/-yl] propenoate/butenoate 3a-h respectively. The 1,3 dipolar reaction of 2a-h with NaN3 gave the tetrazole derivative 4a-h. 3a-h on cyclization with PPA gave 3-cyano-2H,5H-pyrano [3, 2-c] benzopyran-2,5-diones 5a-h which on 1,3 dipolar reaction with NaN3 to gave 3-(1/H-tetrazol-5/-yl)-2H,5H-pyrano[3, 2-c] benzopyran-2,5-diones 6a-h. The structures of the compounds have been established on the basis of the spectral and analytical data. All the compounds were screened for their antimicrobial activities and have been found to exhibited significant antibacterial activities. Compounds 2h and 4h showed the activity 50g/mL.

• Journal of the Korean Wood Science and Technology
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• v.45 no.4
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• pp.399-408
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• 2017

Research on the rapid and accurate prediction of physical properties of wood using near-infrared (NIR) spectroscopy has attracted recent attention. In this study, partial least squares analysis was performed between NIR spectra and air-dried specific gravity of five domestic conifer species including larch (Larix kaempferi), Korean pine (Pinus koraiensis), red pine (Pinus densiflora), cedar (Cryptomeria japonica), and cypress (Chamaecyparis obtusa). Fifty different lumbers per species were purchased from the five National Forestry Cooperative Federations of Korea. The air-dried specific gravity of 100 knot- and defect-free specimens of each species was determined by NIR spectroscopy in the range of 680-2500 nm. Spectral data preprocessing including standard normal variate, detrend and forward first derivative (gap size = 8, smoothing = 8) were applied to all the NIR spectra of the specimens. Partial least squares analysis including cross-validation (five groups) was performed with the air-dried specific gravity and NIR spectra. When the performance of the regression model was expressed as $R^2$ (coefficient of determination) and root mean square error of calibration (RMSEC), $R^2$ and RMSEC were 0.63 and 0.027 for larch, 0.68 and 0.033 for Korean pine, 0.62 and 0.033 for red pine, 0.76 and 0.022 for cedar, and 0.79 and 0.027 for cypress, respectively. For the calibration model, which contained all species in this study, the $R^2$ was 0.75 and the RMSEC was 0.37.