• Bulletin of the Korean Chemical Society
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• v.14 no.6
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• pp.713-717
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• 1993

The crystal structure of the potassium salt of penicillin V has been studied by the X-ray crystallographic methods. Crystal data are as follows; potassium 3,3-dimethyl-7-oxo-6-phenoxyacetoamido-4-thia-1- azabicyclo[3.2.0]-heptane-2${\alpha}$-carboxylate, $K^+{\cdot}C_{16}H_{18}N_2O_5S^-$, $M_r$= 388.5, triclinic, Pl, a= 9.371 (1), b= 12.497 (2), c= 15.313 (2) ${\AA},\;{\alpha}= 93.74\;(2),\;{\beta}=99.32\;(1),\;{\gamma}=90.17\;(1)^{\circ},\;V=1765.7\;(2)\;{\AA}^3$, Z=4, $D_m=1.461\;gcm^{-1},\;{\lambda}(Cu\;K{\alpha})=1.5418\;{\AA},\;{\mu}=40.1\;cm^{-1}$, F(000)=808, T=296 K. The structure was solved by the heavy atom and difference Fourier methods with intensity data measured on an automated four-circle diffractometer. The structure was refined by the full-matrix least-squares method to a final R= 0.081 for 3563 observed $[I_0{\geq}2{\sigam}(I_0)]$ reflections. The four independent molecules assume different overall conformations with systematically different orientations of the phenyl groups although the penam moieties have the same closed conformations. There are intramolecular hydrogen bonds between the exocyclic amide nitrogen and phenoxy oxygen atoms. The penam moiety is conformationally very restricted although the carboxyl and exocyclic amide groups apparently have certain rotational degrees of freedom but the phenyl group is flexible about the ether bond despite the presence of the intramolecular N-H${\cdots}$O hydrogen bond. There are complicated pseudo symmetric relationships in the crystal lattice. The penam moieties are related by pseudo 20.5 screw axes and the phenyl groups by pseudo centers of symmetry. The potassium ions, related by both pseudo symmetries, form an infinite zigzag planar chain parallel to the b axis. Each potassium ion is coordinated to seven oxygen atoms in a severely distorted pentagonal bipyramid configuration, forming the infinite hydrophilic channels which in turn form the molecular stacks. Between these stacks, there are only lipophilic interactions involving the phenyl groups.

• Bulletin of the Korean Chemical Society
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• v.14 no.2
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• pp.200-206
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• 1993

Structures of two polymorphs of ${\alpha},{\alpha}$-trehalose octaacetate monohydrate, $C_{28}H_{38}O_{19}\;{\cdot}\;H_2O$, have been studied by X-ray diffraction method. ${\alpha},{\alpha}$-trehalose (${\alpha}$-D-glucopyranosyl ${\alpha}$-D-glucopyranoside) is a nonreducing disaccharide. The polymorph I belongs to the monoclinic $P2_1$, and has unit cell parameters of a=10.725(l), b=15.110(4), c=11.199(5) ${\AA}$, ${\beta}=108.16(2)^{\circ}$ and Z=2. The polymorph II is orthorhombic $P2_12_12_1$, with a=13.684(4), b=15.802(4), c=17.990(9) ${\AA}$ and Z=4. The final R and R$_w$ values for monoclinic polymorph I are 0.043 and 0.048 and for orthorhombic polymorph II are 0.116 and 0.118, respectively. Those R values of polymorph II are high because the large thermal motions of acetyl groups and the poor quality of the crystal. The molecular conformations in the two polymorphs are similar. Both D-glucopyranosyl rings have chair $^4C_1$ conformations and atoms of glycosidic chain ${\alpha}(1{\rightarrow}1)$ linkage are coplanar. The primary acetate groups of the pyranose residues assume both gauche-trans conformations. The molecules of two polymorphs have pseudo-C$_2$ symmetry at glycosidic O(1) atom. The bond lengths and angles are normal compared with those in other acetylated sugar compounds. The molecules in the monoclinic crystal are held by the hydrogen bonds with the water molecules and by van der Waals forces.

• Journal of Radiation Protection and Research
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• v.47 no.3
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• pp.143-151
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• 2022

Background: After the Fukushima Daiichi Nuclear Power Plant (FDNPP) accident, biological alterations in the natural biota, including morphological changes of fir trees in forests surrounding the power plant, have been reported. Focusing on the terminal buds involved in the morphological formation of fir trees, this study developed a method for estimating the absorbed radiation dose rate using radionuclide distribution measurements from tree organs. Materials and Methods: A phantom composed of three-dimensional (3D) tree organs was constructed for the three upper whorls of the fir tree. A terminal bud was evaluated using Monte Carlo simulations for the absorbed dose rate of radionuclides in the tree organs of the whorls. Evaluation of the absorbed dose targeted ¹³¹I, ¹³⁴Cs, and ¹³⁷Cs, the main radionuclides subsequent to the FDNPP accident. The dose contribution from each tree organ was calculated separately using dose coefficients (DC), which express the ratio between the average activity concentration of a radionuclide in each tree organ and the dose rate at the terminal bud. Results and Discussion: The dose estimation indicated that the radionuclides in the terminal bud and bud scale contributed to the absorbed dose rate mainly by beta rays, whereas those in 1-year-old trunk/branches and leaves were contributed by gamma rays. However, the dose contribution from radionuclides in the lower trunk/branches and leaves was negligible. Conclusion: The fir tree model provides organ-specific DC values, which are satisfactory for the practical calculation of the absorbed dose rate of radiation from inside the tree. These calculations are based on the measurement of radionuclide concentrations in tree organs on the 1-year-old leader shoots of fir trees. With the addition of direct gamma ray measurements of the absorbed dose rate from the tree environment, the total absorbed dose rate was estimated in the terminal bud of fir trees in contaminated forests.

• Bulletin of the Society of Naval Architects of Korea
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• v.27 no.4
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• pp.58-66
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• 1990

A series of test was performed measuring the failure strength and failure mode of Gr/Pi, $[0^{\circ}/45^{\circ}/90^{\circ}/-45^{\circ}]_s$ laminate containing a single pin loaded hole. The finite element method is applied to calculate the stress distribution in the laminates, then the failure load and the failure mode were predicted by means of the characteristic length. 12 different geometric variations were developed to analyze the effects of the ratio of specimen width to hole diameter (W/d) and ratio of edge distance to hole diameter (L/d). X-Ray of NDE methods were utilized in finding out the initial defects, damage and the fracture mechanism, and SEM(Scanning Electron Microscopes) was used the evaluation of the fracture mechanism and crack propagation around hole under tension pin loading. $[0^{\circ}/45^{\circ}/90^{\circ}/-45^{\circ}]_s$ laminate are found to be most sensitive to W/d but not so influenced by L/d. The failure mode and tensile strength predicted by the model show agreement with experiment data for pin loading bolted jointed test except range of $L/d{\leqq}3$.

• Journal of Pharmaceutical Investigation
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• v.29 no.3
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• pp.227-234
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• 1999

Solid dispersions were prepared to increase the dissolution rate of biphenyl dimethyl dicarboxylate (DDB) using water-soluble carriers such as povidone, copolyvidone, $2-hydroxypropyl-{\beta}-cyclodextrin (HPCD)$, sodium salicylate or sodium benzoate by solvent evaporation method. Solid dispersions were characterized by infrared spectrometry, differential scanning calorimetry (DSC) and powder X-ray diffractometry, dissolution and permeation studies. DDB tablets (7.5 mg) were prepared by compressing the powder mixtures composed of solid dispersions, lactose, com starch, crospovidone and magnesium stearate using a single-punch press. DDB capsules (7.5 mg) were also prepared by filling the mixtures in empty hard gelatin capsules (size No.1). From the DSC and powder x-ray diffractometric studies, it was found that DDB was amorphous in the HPCD or copolyvidone solid dispersions. Dissolution rates after 10 min of DDB alone and solid dispersions (1 : 10) in sodium benzoate, sodium salicylate and copolyvidone were 11.8, 23.5, 22.8 and 82.5%, respectively. Dissolution rates of DDB after 30 min from 1 : 10 and 1 : 20 copolyvidone solid dispersions were 80.5 and 95.0%, respectively. For the DDB tablets prepared using solid dispersions (1 : 20), the initial dissolution rate was dependent on carrier material, and was ranked in order, $Kollidon\;30\;{\ll}$ copolyvidone < HPCD. For the HPCD solid dispersion tablets, dissolution rate reached 97.4% after 15 min, but thereafter slowly decreased to 80.7% after 2 hr due to the precipitation of DDB. However, in the case of copolyvidone solid dispersion tablets, dissolution increased linearly and reached 93.4% after 2 hr. Reducing the volume of test medium from 900 to 300 ml markedly decreased the dissolution rate of the tablets containing 1 : 20 HPCD solid dispersions and 1 : 10 copolyvidone solid dispersion. For 1 : 20 copolyvidone solid dispersion tablets, there was no significant change in dissolution rate up to 1 hr with different volumes of test medium. Preparation of the copolyvidone solid dispersion (1 : 20) in capsules markedly delayed the dissolution (31.2 % after 2hr) due to the limited diffusion within capsules. The permeation rate $(13.4\;g/cm^2\;after\;8\;hr)$ of DDB through rabbit duodenal mucosa from copolyvidone solid dispersion (1 : 10) was markedly enhanced, when compared with drug alone or physical mixtures. From overall findings, DDB formulations containing copolyvidone solid dispersions (1 : 20) could be used to remarkably improve the dissolution rate in dosage form of powders and tablets.

• Journal of the Korea institute for structural maintenance and inspection
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• v.27 no.4
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• pp.70-77
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• 2023

Fine dust is a cause of serious ecological problems, and fugitive dust generated from construction sites is a major source of fine dust in Korea. However, at construction sites, including concrete manufacturing industry sites, measurements are rarely made at the fugitive dust generation stage, and passive removal methods are the majority. Therefore, in this study, a fugitive dust measurement method suitable for managing fugitive dust generated during aggregate unloading in the concrete manufacturing industry sites was selected. In addition, the purpose was to analyze the amount of fugitive dust reduction according to the operation of the reduction system by applying the automatic fugitive dust reduction system to the aggregate unloading site. As a result, the reliability of the light scattering method was secured through the comparative measurement of the beta-ray absorption method and the light scattering method, and the light scattering method correction coefficient was calculated and applied to the measured value of the fugitive dust particle mass concentration at the concrete manufacturing industry sites. In addition, the fugitive dust reduction rate according to the operation of the automatic fugitive dust reduction system was derived.

• Membrane Journal
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• v.10 no.2
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• pp.55-65
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• 2000

The porous silica membrane was prepared from Si(${OC}_2H_5)_4-H_2O$ system by sol-gel method. To investigate the characteristics of gels and porous silica membrane, we examined gels and porous silica membrane using TG-DTA, X-ray diffractometer, IR spectrophotometer, BET, SEM and TEM. The optimum mole ratio of Si(OC$_2$H$_{5}$)$_4$ : $H_2O$ $C_2$H$_{5}$OH for porous silica membrane was 1 : 4.5 : 4. The porous silica membrane was obtained by heat treatment of the gel above 700 $^{\circ}C$. The specific surface area of sintered gel was 3.8 $m^2$/g to 902.3 $m^2$/g at 100 $^{\circ}C$ to 1100 $^{\circ}C$ The pore size of sintered gel was in the range 20 $\AA$~ 50$\AA$. The particle size of sintered gel was 15 nm to 30 nm at 30$0^{\circ}C$ to 700$^{\circ}C$. The performance of the porous silica membrane was investigated for the separation of $H_2$/$N_2$ gas mixture. Gas separation through porous silica membrane depends upon Knudsen flow and surface flow. The veal separation factor($\alpha$) of $H_2$/$N_2$ was 5.17 at 155.15 cmHg and $25^{\circ}C$. The real separation factor($\alpha$), head separation factor($\beta$), and tail separation factor( $\bar{B}$) increased as the pressure of permeation cell Increased.sed.

• Journal of the Korean Chemical Society
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• v.38 no.11
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• pp.827-832
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• 1994

The crystal structure of bis(N-methylphenazinium) bis(oxalato)palladate(II) has been determined by X-ray crystallography. Crystal data: ((C_{13}H_{11}N_2)_2[Pd(C_2O_4)_2]) $M_w$ = 672.93, Triclinic, Space Group P1 (No = 2), a = 7.616(8), b = 9.842(3), c = $20.335(7)\AA$, $\alpha$ = 103.53(3), $\beta$ = 90.00(5), $\gamma$ = $112.38(5)^{\circ}$, Z = 2, $V = 1363(2){\AA}^3\;D_c = 1.639\;gcm^{-3},\;{\mu} = 7.3\;cm^{-1},\;F(000) = 680.0$. The intensity data were collected with $Mo-K\alpha$ radiation (${\lambda}$= 0.7107\;\AA)$ on an automatic four-circle diffractometer with a graphite monochromater. The structure was solved by Patterson method and refined by full matrix least-square methods using Killean & Lawrence weights. The final R and S values were $R = 0.069,\;R_w = 0.050,\;R_{all} = 0.069$ and S = 5.45 for 3120 observed reflections. Both cation and anion complexes are essentially planar and have dihedral angles of 6.3(6) and $57.06(6)^{\circ}$ between their planes. The planar complex anions are sandwiched between slightly bent cations. The interplanar separations of two triads are 3.328 and 3.463 $\AA$, respectively. The triads are stacked along b-axis, but their orientations are different based on dihedral angle $59.08(9)^{\circ}$ of two complex anions.

• Journal of Microbiology and Biotechnology
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• v.21 no.8
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• pp.808-817
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• 2011

Because of its elevated cellulolytic activity, the filamentous fungus Trichoderma harzianum has a considerable potential in biomass hydrolysis applications. Trichoderma harzianum cellobiohydrolase I (ThCBHI), an exoglucanase, is an important enzyme in the process of cellulose degradation. Here, we report an easy single-step ion-exchange chromatographic method for purification of ThCBHI and its initial biophysical and biochemical characterization. The ThCBHI produced by induction with microcrystalline cellulose under submerged fermentation was purified on DEAE-Sephadex A-50 media and its identity was confirmed by mass spectrometry. The ThCBHI biochemical characterization showed that the protein has a molecular mass of 66 kDa and pI of 5.23. As confirmed by smallangle X-ray scattering (SAXS), both full-length ThCBHI and its catalytic core domain (CCD) obtained by digestion with papain are monomeric in solution. Secondary structure analysis of ThCBHI by circular dichroism revealed ${\alpha}$- helices and ${\beta}$-strands contents in the 28% and 38% range, respectively. The intrinsic fluorescence emission maximum of 337 nm was accounted for as different degrees of exposure of ThCBHI tryptophan residues to water. Moreover, ThCBHI displayed maximum activity at pH 5.0 and temperature of $50^{\circ}C$ with specific activities against Avicel and p-nitrophenyl-${\beta}$-D-cellobioside of 1.25 U/mg and 1.53 U/mg, respectively.

• Korean Journal of Crystallography
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• v.16 no.1
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• pp.38-42
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• 2005

The crystal structure of Bis(ethylenediamine) cuprate(II)$\cdot$dichromate, $Cu(C_2H_8N_2)_2{\cdot}Cr_2O_7$, has been determined by X-ray crystallography. Crystal data: a=5.682(2), b=8.567(3), c=14.839(3) ${\AA},\;{\alpha}=97.50(2),\;{\beta}=101.06(1),\;{\gamma}=109.38(2)^{\circ}$ Triclinic, P-1 (SG No=2), Z=2, V=653.9(2) ${\AA}^3,\;D_c=2.030gcm^{-3},\;{\mu}=3.273mm^{-1}$. The structure was solved by Patterson method and refined by full matrix least-square methods uslng unit weights. The final R and S values were $R_1=0.0256,\;R_w=0.0708,\;R_{all}=0.0316,\;S=1.151$ for the observed 2291 reflections. The two cupper complex ion has the usual distorted octahedral structure with mean four Cu-N distances of 2.010(3) $\AA$ and the longer mean Cu-O distance of 2.525(2) $\AA$. The Cu-complex and dichromate ions are linked to form infinite chain arranged alternatively along the [111]-direction. The neighboring chains in the (0-11) plane are connected with N1-O5 and N3-O1 hydrogen bonds.