• Korean Journal of Crystallography
• /
• v.13 no.3_4
• /
• pp.158-164
• /
• 2002

Tetrahomodioxa p-phenylcalix(4)arene dihexylether(C/sub66/H/sub68/O/sub6/) has been synthesized and structurally characterized by X-ray diffraction. Reaction of tetrahomodioxa p-phenylcalix(4)arene with hexyl halide and NaH in DMF leads to the dihexyl derivatives, 7,13,21,27-tetraphenyl-29,31-dihexyloxy- 2,3,16,17-tetrahomo-3,17-dioxacalit(4)arenes. The crystal is orthorhombic, P2₁2₁2₁, a= 9.764(2), b=16.167(2), c=32.994(3) Å, V=5208(1) Å, Z= 4, Dc = 1.221 gcm/sup -3/. The structure was solved by direct methods and refined by full-matrix least squares. Refinement converged at R = 0.070 for 2009 observed reflections. This molecule has a C-1,2-alternate conformation with pseudo-centrosymmetry and has two pairs of opposite phenyl rings, which are approximately parallel to each other. The benzene rings A and B are up, and the rings C and D rings are down with respect to the plane of the macrocyclic ring.

• The Korean Journal of Pain
• /
• v.25 no.1
• /
• pp.1-6
• /
• 2012

Background: Curcumin has been reported to have anti-inflammatory, antioxidant, antiviral, antifungal, antitumor, and antinociceptive activity when administered systemically. We investigated the analgesic efficacy of intrathecal curcumin in a rat model of inflammatory pain. Methods: Male Sprague Dawley rats were prepared for intrathecal catheterization. Pain was evoked by injection of formalin solution (5%, $50{\mu}l$) into the hind paw. Curcumin doses of 62.5, 125, 250, and $500{\mu}g$were delivered through an intrathecal catheter to examine the flinching responses. The $ED_{50}$ values (half-maximal effective dose) with 95% confidence intervals of curcumin for both phases of the formalin test were calculated from the dose-response lines fitted by least-squares linear regression on a log scale. Results: In rats with intrathecal administration of curcumin, the flinching responses were significantly decreased in both phases. The slope of the regression line was significantly different from zero only in phase 2, and the $ED_{50}$ value (95% confidence interval) of curcumin was $511.4{\mu}g$ (23.5-1126.5). There was no apparent abnormal behavior following the administration of curcumin. Conclusions: Intrathecal administration of curcumin decreased inflammatory pain in rats, and further investigation to elucidate the precise mechanism of spinal action of curcumin is warranted.

• Journal of Ginseng Research
• /
• v.38 no.3
• /
• pp.187-193
• /
• 2014

Background: White ginseng (Panax ginseng Meyer) is commonly distributed as a health food in food markets. However, there is no practical method for distinguishing Korean white ginseng (KWG) from Chinese white ginseng (CWG), except for relying on the traceability system in the market. Methods: Ultra-performance liquid chromatography quadrupole time-of-flight mass spectrometry combined with orthogonal partial least squares discrimination analysis (OPLS-DA) was employed to discriminate between KWG and CWG. Results: The origins of white ginsengs in two test sets ($1.0{\mu}L$ and $0.2{\mu}L$ injections) could be successfully discriminated by the OPLS-DA analysis. From OPLS-DA S-plots, KWG exhibited tentative markers derived from ginsenoside Rf and notoginsenoside R3 isomer, whereas CWG exhibited tentative markers derived from ginsenoside Ro and chikusetsusaponin Iva. Conclusion: Results suggest that ultra-performance liquid chromatography quadrupole time-of-flight mass spectrometry coupled with OPLS-DA is an efficient tool for identifying the difference between the geographical origins of white ginsengs.

• Clean Technology
• /
• v.18 no.1
• /
• pp.31-37
• /
• 2012

Biomass has become a major feedstock for bioenergy and other bio-based products because of its renewability and environmental benefits. Various researches have been done in the prediction of crucial characteristics of biomass, including the active utilization of spectroscopy data. Near infrared (NIR) spectroscopy has been widely used because of its attractive features: it's non-destructive and cost-effective producing fast and reliable analysis results. This work developed the multivariate statistical scheme for predicting weight loss profiles based on the utilization of NIR spectra data measured for six lignocellulosic biomass types. Wavelet analysis was used as a compression tool to suppress irrelevant noise and to select features or wavelengths that better explain NIR data. The developed scheme was demonstrated using real NIR data sets, in which different prediction models were evaluated in terms of prediction performance. In addition, the benefits of using right pretreatment of NIR spectra were also given. In our case, it turned out that compression of high-dimensional NIR spectra by wavelet and then PLS modeling yielded more reliable prediction results without handling full set of noisy data. This work showed that the developed scheme can be easily applied for rapid analysis of biomass.

• Investigative Magnetic Resonance Imaging
• /
• v.23 no.4
• /
• pp.341-350
• /
• 2019

Purpose: To determine the MR parameters affecting India ink artifacts on opposed-phase chemical shift magnetic resonance (MR) imaging. Materials and Methods: The use of a female Sprague-Dawley rat was approved by our Institutional Animal Care and Use Committee. Using an iterative decomposition of water and fat with echo asymmetry and least-squares estimation (IDEAL) images, which is a modified Dixon method, axial opposed-phase images of the abdominal cavity were obtained with different MR parameters: series 1, different repetition times (TRs; 400, 2000, and 4000 ms); series 2, different echo times (TEs; 10, 50, and 100 ms); series 3, different field of views (FOVs; 6, 8, 16, and 24 cm); series 4, different echo train lengths (ETLs; 2, 4, and 8); series 5, different bandwidths (25, 50, and 85); and series 6, different slice thicknesses (1, 2, 4, 8, and 16 mm). Artifacts on opposed images obtained with different parameters were compared subjectively by two radiologists. For objective analysis, the thickness of the artifact was measured. Spearman's correlation between altered MR parameters and thicknesses of India ink artifact was obtained via objective analysis. Results: India ink artifact was increasingly apparent using shorter TE, larger FOV and ETL, and thicker slices upon subjective analysis. The objective analysis revealed a strong negative correlation between the thickness of the artifact and TE (r = -0.870, P < 0.01); however, strong positive correlations were found between FOV (r = 0.854, P < 0.01) and slice thickness (r = 0.971, P < 0.01). Conclusion: India ink artifact was thicker with shorter TE, larger FOV, and larger slice thickness.

• Korean Journal of Agricultural Science
• /
• v.47 no.3
• /
• pp.645-655
• /
• 2020

Bacteria are a very common cause of food poisoning. Moreover, bacteria form biofilms to protect themselves from harsh environments. Conventional detection methods for foodborne bacterial pathogens including the plate count method, enzyme-linked immunosorbent assays (ELISA), and polymerase chain reaction (PCR) assays require a lot of time and effort. Hyperspectral imaging has been used for food safety because of its non-destructive and real-time detection capability. This study assessed the feasibility of using hyperspectral imaging and machine learning techniques to detect biofilms formed by Escherichia coli. E. coli was cultured on a high-density polyethylene (HDPE) coupon, which is a main material of food processing facilities. Hyperspectral fluorescence images were acquired from 420 to 730 nm and analyzed by a single wavelength method and machine learning techniques to determine whether an E. coli culture was present. The prediction accuracy of a biofilm by the single wavelength method was 84.69%. The prediction accuracy by the machine learning techniques were 87.49, 91.16, 86.61, and 86.80% for decision tree (DT), k-nearest neighbor (k-NN), linear discriminant analysis (LDA), and partial least squares-discriminant analysis (PLS-DA), respectively. This result shows the possibility of using machine learning techniques, especially the k-NN model, to effectively detect bacterial pathogens and confirm food poisoning through hyperspectral images.

• Korean Journal of Crystallography
• /
• v.13 no.1
• /
• pp.21-24
• /
• 2002

The crystal structure of cholesteryl crotonate was investigated by X-ray diffraction. Crystallo-graphic data for the title compound: P2₁, a = 13.446(4) , b = 11.802(3) , c = 18.782(5) , β = 103.99(2)°, Z = 4. Reflections were collected with an Enraf-Nonius CAD-4 diffractometer equipped with a graphite monochromator. The structure was solved by direct methods and refined by least-squares analyses. The final R value was 0.092 for 1604 reflections. The cholesterol fragment of the title compound were in good agreement with those for related cholesterol derivatives. The molecules were stacked in clearly separated layers. At the center of the layers, there were cholesterol-cholesteryl interactions between the symmetry-related A molecules and the cholesteryl-C(17) side chain of B molecules. There were also interactions between the C(17) side chain of A molecules and the crotonate chains off and B molecules in the interface region between layers. The crystal structure of the title compound turned out to be isostructural with those of cholesteryl ethylcarbonate, cholesteryl propylcarbonate, and cholesterol crotylcarbonate. The crystals show the liquid crystalline state having the cholesteric phase.

• Journal of the Korean Chemical Society
• /
• v.19 no.2
• /
• pp.85-91
• /
• 1975

The crystal structure of piperidinothiosemicarbazide, $C_6H_{13}N_3S$, has been determined by single crystal X-ray analysis. The space group is P21/c with four molecules in the unit cell of dimensions $a=14.68{\pm}0.04,\;b=4.59{\pm}0.02,\;c=12.92{\pm}0.04{\AA}\;and\;{\beta}=109.4{\pm}0.2^{\circ}$. Three-dimensional photographic intensities were estimated visually. The structure has been solved by an interpretation of a Patterson synthesis and refined by block-diagonal least-squares methods to give a final R value of 0.14 for 378 observed independent reflections. There are two independent hydrogen bonds in the structure. One of them is of the type N-H${\ldots}$S with the length 3.28 and $3.39{\AA}$, and another is of the type N-H${\ldots}$N with the length $3.03{\AA}$. Apart from the hydrogen bonding system the molecules are held together in the crystal by van der Waals forces.

• Journal of the Korean Chemical Society
• /
• v.34 no.1
• /
• pp.29-36
• /
• 1990

Cholesteryl pentyl carbonate $(C_{33}H_{56}O_3)$ is monoclinic, space group P21, with a = 12.484(3), b = 9.043(3), c = 14.053(3)$\AA$, ${\beta} = 94.12(2)^{\circ}$ and z = 2. The intensity data were measured for the 2969 reflections within sin $\theta/\lambda = 0.52 {\AA}^{-1}$, using an automatic four--circle diffractometer and graphite monochromated Mo-K$\alpha$ radiation. The atomic coordinates from cholesteryl octanoate were used in an initial trial structure and the structure was refined by full-matrix least squares methods. The final R-factor was 0.12 for 1164 observed reflections. The pentyl group has shortened bond lengths due to the high thermal vibrations in this region. Adjacent molecules are related by $2_1$ screw axis so that they are arranged in an antiparallel array, corresponding to the Monolayer Type II packing mode. There are close packings of cholesteryl groups within the monolayers. This packing type is similar to those of cholesteryl hexanoate, octanoate, hexyl carbonate and oleate.

• Journal of the Korea Computer Graphics Society
• /
• v.3 no.2
• /
• pp.27-34
• /
• 1997

3-D image modeling is in high demand for automated visual inspection and non-destructive testing. It also can be useful in biomedical research, medical therapy, surgery planning, and simulation of critical surgery (i.e. cranio-facial). Image processing and image analysis are used to enhance and classify medical volumetric data. Analyzing medical volumetric data is very difficult In this paper, we propose a new image modeling method based on tetrahedrization to improve the visualization of three-dimensional medical volumetric data. In this method, the trivariate piecewise linear interpolation is applied through the constructed tetrahedral domain. Also, visualization methods including iso-surface, color contouring, and slicing are discussed. This method can be useful to the correct and speedy analysis of medical volumetric data, because it doesn't have the ambiguity problem of Marching Cubes algorithm and achieves the data reduction. We expect to compensate the degradation of an accuracy by using an adaptive sub-division of tetrahedrization based on least squares fitting.