• Korean Journal of Crystallography
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• v.7 no.2
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• pp.120-125
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• 1996

Single crystals of deoxy-thymidine diphosphate-D-gluxose-4,6-dehydratase(abbreviated as dTDP-D-glucose dehydratase) from Escherichia coli Strain BL21 clone which harbors the gene of dTDP-D-glucose dehydratase in Salmonella typhimurium LT2 have been grown with and whithout substrates by sitting drop vapor diffusion at room temperature. The precipitating agent was 1.6 to 2.0 M Na, K phosphate buffer(pH 8.0). The crystals diffract to at least 2.5Å and belong to the hexagonal space group P61 with cell dimensions a=b=168.54Å, c=81.08Å. The asymmetric unit contains one dimer with a crystal volume per protein mass(VM) of 2.4Å3/Da and solvent content (Vsol) of 64% by volume.

• Macromolecular Research
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• v.11 no.1
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• pp.14-18
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• 2003

Grafting of glycidyl methacrylate (GMA) upon coralline hydroxyapatite in conjugation with demineralized bone matrix (CHA-DBM) using equal molar ratio of potassium persulfate/sodium metabisulfite redox initiating system was investigated in aqueous medium. The optimum reaction condition was standardized by varying the concentrations of backbone, monomer, initiator, temperature and time. The results obtained imply that the percent grafting was found to increase initially and then decrease in most of the cases. The optimum temperature and time were found to be 50 $^{\circ}C$ and 180 min, respectively, to obtain higher grafting yield. Fourier transform infrared (FT-IR) spectroscopy and X-ray powder diffraction (XRD) method were employed for the proof of grafting. The FT-IR spectrum of grafted CHA-DBM showed epoxy groups at 905 and 853 $cm^{-1}$ / and ester carbonyl group at 1731 $cm^{-1}$ / of poly(glycidyl methacrylate) (PGMA) in addition to the characteristic absorptions of CHA-DBM, which provides evidence of the grafting. The XRD results clearly indicated that the crystallographic structure of the grafted CHA-DBM has not changed due to the grafting reaction. Further, no phase transformation was detected by the XRD analysis, which suggests that the PGMA is grafted only on the surface of CHA-DBM backbone. The grafted CHA-DBM will have better functionality because of their surface modification and hence they may be more useful in coupling of therapeutic agents through epoxy groups apart from being used as osteogenic material.

• Bulletin of the Korean Chemical Society
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• v.4 no.2
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• pp.79-83
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• 1983

The structure of thiamphenicol, one of the congeners of chloramphenicol which is a well-known antibiotic, has been determined by single crystal x-ray diffraction techniques. The crystal structure was determined using diffractometer data obtained by the $2{\theta}:{\omega}$ scan technique with $MoK{\alpha}$ radiation from a crystal having space group symmetry $P2_{1}2_{1}2_{1}$, and unit cell parameters a = 5.779, b = 15.292 and c = 17.322 ${\AA}$ . The structure was solved by direct methods and refined by least squares to an R = 0.070 for the 2116 reflections. The overall V-shaped conformation of thiamphenicol revealed in this study is consistent with those from the crystallographic studies and the proposed models from the theoretical and nmr studies of chloramphenicol. However there is no intramolecular hydrogen bond and the propanediol moiety is fully extended in the thiamphenicol molecule, while the crystal structures of chloramphenicol show the existence of the hydrogen bond between the two hydroxyl groups of the propanediol moiety forming an acyclic ring. All of the thiamphenicol molecules in the crystal are linked by a threedimensional hydrogen bonding network.

• Bulletin of the Korean Chemical Society
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• v.20 no.7
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• pp.791-795
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• 1999

The crystal structure of a cyclopropane sorption complex of dehydrated fully Ca (2+) -exchanged zeolite X, Ca46Si100Al92O384· 30C3H6 (a = 24.988(4) Å), has been determined by single-crystal X-ray diffraction techniques in the cubic space group Fd3 at 21(1)℃. The crystal was prepared by ion exchange in a flowing stream of 0.05M aqueous Ca(NO3)2 for four days, followed by dehydration at 460℃ and 2×10 (-6) Torr for two days, and exposure to 100 Torr of cyclopropane gas at 21(1)℃. The structure was determined in this atmosphere and refined to the final error indices R1 = 0.068 and R2 = 0.082, with 373 reflections for which I > 3σ (I). In this structure, Ca 2+ ions are located at two crystallographic sites. Sixteen Ca 2+ ions fill the octahedral sites I at the centers of the hexagonal prisms (Ca-O = 2.412(9)Å). The remaining 30 Ca 2+ ions are at sites Ⅱ; each extends 0.46Å into the supercage (an increase of 0.16Å upon C3H6 sorption) where it coordinates to three trigonally arranged framework oxygens at 2.311(8)Å. Each of the 30 cyclopropane molecules was found to complex to Ca 2+ ions at site II by the induced dipole interaction (Ca-C = 2.99(4)Å). All carbon atoms in each cyclopropane molecule are equivalent and equidistant from Ca 2+ ions at site II with which they are associated.

• Bulletin of the Korean Chemical Society
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• v.19 no.10
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• pp.1095-1099
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• 1998

The crystal structure of an acetylene sorption complex of dehydrated fully Mn(Ⅱ)-exchanged zeolite X, Mn46Si100Al92O384·30C2H2 (a=24.705(3) Å) has been determined by single-crystal X-ray diffraction techniques. The structure was solved and refined in the cubic space group Fd3 at 21(l) ℃. The complex was prepared by dehydration at 380 ℃ and 2 x 10-6 Torr for 2 days, followed by exposure to 300 Torr of acetylene gas for 2 h at 24 ℃. The structure was refined to the final error indices, R1=0.060 and R2=0.054 with 383 reflections for which I > 3σ(Ⅰ). In the structure, Mn2+ ions are located at two different crystallographic sites; sixteen Mn2+ ions at site I are located at the centers of the double six rings and thirty Mn2+ ions are found at site Ⅱ in the supercage, respectively. Each of these latter Mn2+ ions is recessed ca. 0.385(2) Å into the supercage from its three-oxygen plane. Thirty acetylene molecules are sorbed per unit cell. Each Mn2+ ion at site Ⅱ lies on a threefold axis in the supercage of the unit cell, close to three equivalent trigonally arranged zeolite framework oxygen atoms (Mn(Ⅱ)-O=2.135(9) Å) and symmetrically to both carbon atoms of a C2H2 molecules. At these latter distances, the Mn(Ⅱ)-C interactions are weak (Mn(Ⅱ)-C=2.70(5) Å), probably resulting from electrostatic attractions between the divalent cations and the polarizable π-electron density of the acetylene molecules.

• Bulletin of the Korean Chemical Society
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• v.21 no.7
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• pp.679-684
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• 2000

The Sr2Co0.5Nb(Ta)0.5O4 and Sr3CoNb(Ta)O7 compounds, both with Ruddlesden-Popper structures, have been synthesized by the ceramic method at $1150^{\circ}C$ under atmospheric pressure. The crystallographic structure of the compounds was assigned to the tetr agonal system with space group 14/mmm by X-ray diffraction(XRD) Rietveld refinement. The reduced lattice volume and lattice parameters increased as the Ta with 5d substitutes for the Nb with 4d in the compounds. The Co/Nb(Ta)O bond length has been determined by X-ray absorption spectroscopic(EXAFS/XANES) analysis and the XRD refinement. The CoO6,octahedra were tetragonally distorted by elongation of Co-O bond along the c-axis. The magnetic measurement shows the compounds Sr2Co0.5Nb(Ta)0.5O4 and Sr3CoNb(Ta)O7 have paramagnetic properties and the Co ions with intermediate spin sates between high and low spins in D4h symmetry. All the compounds showed semiconducting behavior whose electrical conductivity increased with temperature up to 1000 K. The electrical conductiviy increased and the activation energy for the conduction decreased as the number of perovskite layers increased in the compounds with chemical formula An+1BnO3n+1.

• Biodesign
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• v.5 no.4
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• pp.136-140
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• 2017

Lam6 is a member of sterol-specific ${\underline{l}ipid$ transfer proteins ${\underline{a}}nchored$ at ${\underline{m}ebrane$ contact sites (LAMs). Lam6 localizes to the ER-mitochondria contact sites by its PH-like domain and the C-terminal transmembrane helix. Here, we purified and crystallized the Lam6 PH-like domain from Saccharomyces cerevisiae. To aid crystallization of the Lam6 PH-like domain, T4 lysozyme was fused to the N-terminus of the Lam6 PH-like domain with a short dipeptide linker, GlySer. The fusion protein was crystallized under the condition of 0.1 M HEPES-HCl pH 7.0, 10% (w/v) PEG 8000, and 0.1 M $Na_3$ Citrate at 293K. X-ray diffraction data of the crystals were collected to $2.4{\AA}$ resolution using synchrotron radiation. The crystals belong to the orthorhombic space group $P2_12_12_1$ with unit cell parameters $a=59.5{\AA}$, $b=60.1{\AA}$, and $c=105.6{\AA}$. The asymmetric unit contains one T4L-Lam6 molecule with a solvent content of 58.7%. The initial attempt to solve the structure by molecular replacement using the T4 lysozyme structure was successful.

• Bulletin of the Korean Chemical Society
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• v.10 no.3
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• pp.230-234
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• 1989

The crystal structure of $Ag^+$-exchanged zeolite A vacuum-dehydrated at $370^{\circ}C$ and then treated with carbon monoxide at $$23^{\circ}C$ has been determined by single crystal x-ray diffraction methods in the cubic space group Pm3m at $23^(1){\circ}C$ ; a = 12.116 (2)${\AA}$. The structure was refined to the final error indices $R_1\;=\;0.061\;and\;R_2$(weighted) = 0.068 using 349 independent reflections for which I > 3${\sigma}(I).\;3.6\;Ag_+-CO$ complexes, where -CO may represent -CHO or -$CH_2OH$, were found in each large cavity. By coordination to silver atoms followed by reaction with $Ag^{\circ}and\;H^+$ within the zeolite, carbon monoxide has been partially reduced. In about 28% of the sodalite units, a $Ag_6(Ag^+)_2$ cluster may be present. In about 37% of the sodalite units, three $Ag^+$ ions are found on threefold axes where they may be bridged by three water molecules. The remaining 35% of the sodalite units are empty of silver species. Two $Ag^+$ ions per unit cell are associated with 8-ring oxygens. The remaining ca $$3Ag^+$ ions per unit cell have been reduced during the synthesis and have migrated to form small silver crystallities on the surface of the zeolite single crystal.

• Bulletin of the Korean Chemical Society
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• v.16 no.3
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• pp.248-251
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• 1995

The crystal structure of Ba46-X, Ba46Al92Si100O384 [a= 25.297(1) Å], has been determined by single-crystal X-ray diffraction techniques in the cubic space group Fd&bar{3}at 21(1) ℃. The crystal was prepared by ion exchange in flowing stream of 0.05 M Ba(OH)2 aqueous solution for 5 days. The crystal was then dehydrated at 380 ℃ and 2 × 10-6 Torr for 2 days. The structure was refined to the final error indices R1= 0.051 and Rw= 0.054 with 369 reflections for which I > 3σ(I). In this structure, all Ba2+ ions are located at the three different crystallographic sites: fourteen Ba2+ ions are located at site Ⅰ, the centers of the double six rings, two Ba2+ ions lie at site Ⅰ', in the sodalite cavity opposite double six rings(D6R's) and another thirty Ba2+ ions are located at site Ⅱ in the supercage. Two Ba2+ ions are recessed ca. 0.27 Å into the sodalite cavity from their three O(3) oxygen plane and thirty Ba2+ ions are recessed ca. 1.11 Å into the supercage from their three O(2) oxygen planes, respectively (Ba(1)-O(3) = 2.76(1) Å, O(3)-Ba(1)-O(3) = 180(0)°, Ba(2)-O(3) = 2.45(1) Å, O(3)-Ba(2)-O(3) = 108(1)°, Ba(3)-O(2)=2.65(1) Å, and O(2)-Ba(3)-O(2)=103.9(4)°).

• Journal of the Korean Society of Visualization
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• v.22 no.1
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• pp.18-27
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• 2024

A series of shock wave pulses with Mach number 2.2 of 100, 200, and 300 shocks were applied to lead sulfide (PbS) nanomaterials at intervals of 5 sec per shock pulse. To investigate the crystallographic, electronic, and magnetic phase stabilities, powder X-ray diffractometry (XRD), diffused reflectance spectroscopy (DRS), and vibrating-sample magnetometry (VSM) were employed. The material exhibited a rock salt structure (NaCl-type structure); XRD results indicated that material is monoclinic with space group C121 (5). Further, XRD results showed shifts due to lattice contraction and expansion when material was subjected to shock wave pulses, indicating stable material structure. Based on the data obtained, we believe that the PbS material is a good choice for high-pressure, high-temperature, and aerospace applications due to its superior shock resistance characteristics.