• Journal of the Korean Chemical Society
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• v.38 no.4
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• pp.283-287
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• 1994

The crystal stucture of bithional surfoxide, $C_{12}H_6Cl_4O_3S$, has been determined from 2295 independent reflections collected on an automated CAD-4 diffractometer with a graphite-monochromated $Mo-K\alpha$ radiation. The crystal belongs to the monoclinic, space group P2$_1$/n, with a unit cell dimensions a = 12.448(4), b = 9.740(1), c = $11.815(2)\AA$, $\beta$ = $100.06^{\circ}$, $\mu$ = 9.02 cm$^{-1}$, Dm = 1.76 g/cm$^3$, Dc = 1.75 g/cm$^3$, F(000) = 744, and Z = 4. The structure was solved by the direct method and refined by the least-squares method. The final R values was 0.037 for 2295 independent reflections. Overall conformation of the molecule is folded with respect to central surfur atom. Comparing with the molecular conformation of bithional, one of phenyl rings was swinged with about $180^{\circ}.$ This conformational change in the molecule results in the existance of intramolecular-hydrogen bond of S-O(3)---H-O(1) type and its steric hindrance between this moiety and the other phenyl ring. The two best planes of the phenyl rings have a maximum deviation of 0.009 $\AA$ for C(1) atom. The dihedral angle between two phenyl rings is $99.22^{\circ}.$ In the crystal structure, the molecules are packed with intermolecular-hydrogen bond of O(3)---H-O(2).

• Journal of The Korean Society of Grassland and Forage Science
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• v.41 no.1
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• pp.29-34
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• 2021

Near infrared reflectance spectroscopy (NIRS) is routinely used for the determination of nutrient components of forages. However, little is known about the impact of sample preparation and wavelength on the accuracy of the calibration to predict minerals. This study was conducted to assess the effect of sample preparation and wavelength of near infrared spectrum for the improvement of calibration and prediction accuracy of Calcium (Ca) and Phosphorus (P) in imported hay using NIRS. The samples were scanned in reflectance in a monochromator instrument (680-2,500 nm). Calibration models (n = 126) were developed using partial least squares regression (PLS) based on cross-validation. The optimum calibrations were selected based on the highest coefficients of determination in cross validation (R2) and the lowest standard error of cross-validation (SECV). The highest R2 and the lowest SECV were obtained using oven-dry grinded sample preparation and 1,100-2,500 nm wavelength. The calibration (R2) and SECV were 0.99 (SECV: 468.6) for Ca and 0.91 (SECV: 224.7) for P in mg/kg DM on a dry weight, respectively. Results of this experiment showed the possibility of NIRS method to predict mineral (Ca and P) concentration of imported hay in Korea for routine analysis method to evaluate the feed value.

• The Korean Journal of Pesticide Science
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• v.6 no.3
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• pp.209-217
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• 2002

Two different QSAR methods, the comparative molecular similarity indices analyses (CoMSIA) and hologram quantitative structure activity relationship (HQSAR) are studied for the fungicidal activities ($pI_{50}$) of 2-N-benzyl-5-phenoxy-3-isothiazolone derivatives against sensitive (SPC: 95CC7105) and resisitive (RPC: 95CC7303) phytophthora blight fungus (Phytaphthora capsici). According to the findings from these QSAR investigation, the cross-validation value, $q^2$ and Pearson correlation coefficient, $r^2$ in the two methods were CoMSIA: RPC; $q^2=0.675,\;r^2=0.942$, SPC; $q^2=0.350,\;r^2=0.876$ and HQSAR: RPC; $q^2=0.519,\;r^2=0.869$, SPC; $q^2=0.483,\;r^2=0.990$, respectively. Therefore, the two models of comparative statistical significance were obtained. From the CoMSIA contour maps, the important factors for selective fungicidal activity against RPC are to be expected that the lower hydrophobic and not bulkiness substituent as hydrogen bonding acceptor have to introduce to meta and para-position (C1-C6) on the phenoxy moiety. And the results of prediction suggest that HQSAR method showed higher fungicidal activity than CoMSIA method.

• Journal of the Korean Geographical Society
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• v.51 no.4
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• pp.509-523
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• 2016

The soil prediction can provide quantitative soil information for sustainable mountainous ecosystem management. Visible near infrared spectroscopy, one of soil prediction methods, has been applied to predict several soil properties with effective costs, rapid and nondesctructive analysis, and satisfactory accuracy. Spectral preprocessing is a essential procedure to correct noisy spectra for visible near infrared spectroscopy. However, there are no attempts to evaluate various spectral preprocessing methods. We tested 5 different pretreatments, namely continuum removal, Savitzky-Golay filter, discrete wavelet transform, 1st derivative, and 2nd derivative to predict soil carbon(C) and nitrogen(N). Partial least squares regression was used for the prediction method. The total of 153 soil samples was split into 122 samples for calibration and 31 samples for validation. In the all range, absorption was increased with increasing C contents. Specifically, the visible region (650nm and 700nm) showed high values of the correlation coefficient with soil C and N contents. For spectral preprocessing methods, continuum removal had the highest prediction accuracy(Root Mean Square Error) for C(9.53mg/g) and N(0.79mg/g). Therefore, continuum removal was selected as the best preprocessing method. Additionally, there were no distinct differences between Savitzky-Golay filter and discrete wavelet transform for visual assessment and the methods showed similar validation results. According to the results, we also recommended Savitzky-Golay filter that is a simple pre-treatment with continuum removal.

• Journal of the Korean Institute of Gas
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• v.24 no.2
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• pp.44-49
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• 2020

In this paper, a measuring circuit is designed through analyzing manufacture specification of the sensor based on MOS. And the best input-output polynomial are induced that really gas sensors are used in gas safety management industrial fields. Response characteristics of a MOS gas sensor is analysed by through sensor's output voltages are measured after standard gases with six kinds of concentrations are manufactured and are injected to the sensor. A lookup table is created by relations of sensor's output voltages by injecting gases with other concentrations. Because data of the formed lookup table are equal interval, a polynomial can be induced of method of approximation function. So the 5th polynomial of input-output for a sensor is defined, coefficients are calculated by using least squares method, and the 5th polynomial is completed for representing characteristics of the sensor. If the proposed polynomial is applied to gas leak detectors, an inverse transformation of polynomial and programing of array codes are recreated. In this research, polynomial is implemented with array types that intervals of values of a lookup table are one-fifth sampled and interpolated. The performance of proposed 5th calibration equation is verified that errors are reduced than a linear expression when tests are performed by measurement of concentrations against injection of standard gases.

• Journal of the Institute of Electronics and Information Engineers
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• v.51 no.5
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• pp.177-187
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• 2014

This paper proposes a fast subspace tracking methods, which is called GVFF FAPI, based on FAPI (Fast Approximated Power Iteration) method and GVFF RLS (Gradient-based Variable Forgetting Factor Recursive Lease Squares). Since the conventional FAPI uses a constant forgetting factor for estimating covariance matrix of source signals, it has difficulty in applying to non-stationary environments such as continuously changing DOAs of source signals. To overcome the drawback of conventioanl FAPI method, the GVFF FAPI uses the gradient-based variable forgetting factor derived from an improved means square error (MSE) analysis of RLS. In order to achieve the decreased subspace error in non-stationary environments, the GVFF-FAPI algorithm used an improved forgetting factor updating equation that can produce a fast decreasing forgetting factor when the gradient is positive and a slowly increasing forgetting factor when the gradient is negative. Our numerical simulations show that GVFF-FAPI algorithm offers lower subspace error and RMSE (Root Mean Square Error) of tracked DOAs of source signals than conventional FAPI based MUSIC (MUltiple SIgnal Classification).

• Geophysics and Geophysical Exploration
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• v.4 no.4
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• pp.124-132
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• 2001

Electrical resistivity survey has been conducted for delineating geological fault structure in Kaekok-ri near Kyungju. In general, electrical resistivity survey has an advantage of searching buried faults and its traces compared with other geophysical survey methods. Distribution of electrical conductivity in the ground is influenced by the ratio of pores, groundwater and clay minerals. These properties are evidenced indirectly to explain for weathering condition, faults and fracture Bones. Thus the electrical resistivity survey can be an effective method to find buried faults. We have carried out two dimensional (2-D) interpretation by means of smoothness-constrained least-squares and finite element method. Field data used in this paper was acquired at Kaekok-ri, Wuedong-eup, Kyungju-si, where is Ulsan Fault and is close to the region in which debatable quaternary fault traces were found recently. The dipole-dipole array resistivity survey which could show the 2-D subsurface electrical resistivity structure, was carried out in the area with three lines. The results showed good property of fault, fracture zone and fault traces which we estimated were congruous with the results. Through this study, 2-D electrical resistivity survey interpretation for fault is useful to apply.

• Journal of the Korean Chemical Society
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• v.25 no.6
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• pp.343-350
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• 1981

The crystal and molecular structure of P-aminobenzaldehyde cyclohexylthiosemicarbazone, C14H20N4S, has been determined from 2712 integrated intensities measured on a computer controlled four circle diffractometer with monochromated $CuK_{\alpha}$, X-ray radiation. The crystals are monoclinic, space group C2/c with eight molecules in a unit cell of dimensions, a = 12.488(2), b = 12.276(4), c = 19.997(6)${\AA}$ and ${\beta}=103.55(3)^{\circ}$. The structure was solved by Patterson and Fourier method and refined by a full-matrix least squares method to a final R value of 0.058 for all reflections. The C(8)-S bond is trans to N(2)-N(3) and C(8)-N(1) is cis to N(2)-N(3) bond. The cyclohexane ring has chair conformation and makes an angle of $40.7^{\circ}$ with the benzene ring. The molecules are linked by N(2)H…S hydrogen bonds into dimer-like units which are held together by $N-H{\ldots}N$ hydrogen bonds. Sulfur accepts second rather weak hydrogen bond from N(4). An intramolecular hydrogen bond exists between N(1) and N(3) atoms.

• Korean Journal of Plant Resources
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• v.27 no.4
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• pp.286-292
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• 2014

Near infrared reflectance spectroscopy (NIRS) is a rapid and accurate analytical method for determining the composition of agricultural products and feeds. This study was conducted to measure baicalin, baicalein, and wogonin contents in Scutellaria baicalensis by using NIRS system. Total 63 samples previously were analyzed by HPLC, which showed baicalin, baicalein, and wogonin contents ranging 4.56 to 13.59%, 0.28 to 5.54%, and 0.50 to 1.63% with an average of 9.66%, 2.09% and 0.52%, respectively. Each sample was scanned by NIRS and calculated for calibration and validation equation. A calibration equation calculated by modified partial least squares(MPLS) regression technique was developed in which the coefficient of determination for baicalin, baicalein, and wogonin content was 0.958, 0.944, and 0.709, respectively. Each calibration equation was applied to validation set that was performed with the remaining samples not included in the calibration set, which showed high positive correlation both in baicalin and baicalein content file. In case of wogonin, the prediction model was needed more accuracy because of low $R^2$ value in validation set. These results demonstrate that the developed NIRS equation can be practically used as a rapid screening method for quantification of baicalin and baicalein contents in Scutellaria baicalensis.

• Analytical Science and Technology
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• v.23 no.6
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• pp.537-543
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• 2010

Dopamine (DA) is an important neurotransmitter molecule of catecholamines. Its deficiency could lead to brain disorder such as Parkinson's disease and schizophrenia. Therefore, it is necessary to establish a suitable analytical technique with sensitivity and simplicity. A competitive enzyme-linked immunosorbent assay for DA has been optimized and characterized. Assay sensitivity is controlled by two factors in competitive immunoassay. One is a nature and concentration of competitor, and the other is those of binder, antibody. Thus, optimization was performed: BSA-DA conjugate and antibody-avidin conjugate were prepared by dual heterobifunctional coupling method using SATA and SMCC. Assay condition was optimized with $6.66\;{\mu}gmL^{-1}$ of BSA-DA and $4.17{\times}10^{-10}\;M$ of antibody-avidin conjugate. A dose-response curve was constructed, and a limit of detection and a dynamic range for DA were accomplished to $2.3{\times}10^{-2}\;{\mu}g\;mL^{-1}$ and four orders of magnitude ($1.0{\times}10^{-7}\;M$ to $1.0{\times}10^{-3}\;M$), respectively. Calibration curve was constructed on dynamic range and least-squares regression of this data gave the following relationship: absorbance = -0.1098 log[DA]+0.0353 ($R^2$ = 0.9956).