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Crystal Chemistry of Yttrium-Barium-Copper Oxycarbonate Ceramics

  • Vatolin, Nikolay;Dubrovina, Iring;Balakirev, Viacimir;Zubkov, Vladimir;Tyutyunik, Alexander
    • The Korean Journal of Ceramics
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    • v.6 no.2
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    • pp.164-167
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    • 2000
  • The barium rich region of the Y-Ba-Cu-O-C system includes a tetragonal perovskite-like phase, which possesses a wide homogeneity region toward yttrium, copper and carbonate ion on the one hand, and toward oxygen, on the other hand. Accounting for vacancies ($\square$-vacancy) this phase could be described by the general formula per unit cell: {Ba$_8$}[Y$_{3-z}$Cu$_{5-x}$$(CO_3)_n$ $\square$$_{x+x-n}$]O$_{y{\pm}{\delta}y}$ (*). Here, cube-octahedral sites are represented in braces, while quasioctahedral ones with proper octahedral (Y, Cul), square (Cu2) and triangular (CO$_3$) configuration are shown in square brackets. The formula (*) was confirmed by full-profile Rietveld refinement based on X-ray diffraction data of YBa$_{5}$Cu$_2$O$_y$ (1-5-2 phase). Homogeneity region limits of the phase (*) at 96$0^{\circ}C$ in air were determined to be -0.33$\leq$x$\leq$1.80, 0.33$\leq$z$\leq$2.00, 0$\leq$n$\leq$3.

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Synthesis of amorphous Fe-Cr-N alloy powders by mechanical alloying (기계적 합금화에 의한 Fe-Cr-N 계 비정질 합금분말의 제조)

  • 이충효
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.9 no.1
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    • pp.132-136
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    • 1999
  • Mechanical alloying (MA) by ball mill of $Fe_{30}Cr_{70}$ elemental powders was carried out under the nitrogen gas atmosphere. Amorphization has been observed in this case, while MA under an inert argon gas atmosphere produces the bcc solid solution. The DSC spectrum for the mechanically alloyed $(Fe_{30}Cr_{70})_{0.85}N_{0.15)$powders exhibits a sharp exothermic peak due to crystallization at about $550^{\circ}C$. Structural transformation from the bcc crystalline to amorphous states was observed through X-ray and neutron diffractions. During amorphization process the octahedral unit, which is typical of a polyhedron formed in any crystal structures, was preferentially destroyed and transformed into the tetrahedral unit. Futhermore, neutron diffraction measurements revealed that a nitrogen atom is situated at a center of the tetrahedron formed by metal atoms.

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Crystal Structure and Functional Characterization of a Cytochrome P450 (BaCYP106A2) from Bacillus sp. PAMC 23377

  • Kim, Ki-Hwa;Lee, Chang Woo;Dangi, Bikash;Park, Sun-Ha;Park, Hyun;Oh, Tae-Jin;Lee, Jun Hyuck
    • Journal of Microbiology and Biotechnology
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    • v.27 no.8
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    • pp.1472-1482
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    • 2017
  • Bacterial cytochrome P450 (CYP) steroid hydroxylases are effectively useful in the pharmaceutical industry for introducing hydroxyl groups to a wide range of steroids. We found a putative CYP steroid hydroxylase (BaCYP106A2) from the bacterium Bacillus sp. PAMC 23377 isolated from Kara Sea of the Arctic Ocean, showing 94% sequence similarity with BmCYP106A2 (Bacillus megaterium ATCC 13368). In this study, soluble BaCYP106A2 was overexpressed to evaluate its substrate-binding activity. The substrate affinity ($K_d$ value) to 4-androstenedione was $387{\pm}37{\mu}M$. Moreover, the crystal structure of BaCYP106A2 was determined at $2.7{\AA}$ resolution. Structural analysis suggested that the ${\alpha}8-{\alpha}9$ loop region of BaCYP106A2 is intrinsically mobile and might be important for initial ligand binding. The hydroxyl activity of BaCYP106A2 was identified using in vitro enzyme assays. Its activity was confirmed with two kinds of steroid substrates, 4-androstenedione and nandrolone, using chromatography and mass spectrometry methods. The main products were mono-hydroxylated compounds with high conversion yields. This is the second study on the structure of CYP106A steroid hydroxylases, and should contribute new insight into the interactions of bacterial CYP106A with steroid substrates, providing baseline data for studying the CYP106A steroid hydroxylase from the structural and enzymatic perspectives.

Crystallographic Study on Zeolite 4A Reacted with Rubidium Vapor (루비듐 증기와 반응한 제올라이트 4A에 대한 결정학적 연구)

  • Song, Seong-Hwan;Kim, Yang;Han, Young-Wook
    • Journal of the Mineralogical Society of Korea
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    • v.4 no.2
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    • pp.99-107
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    • 1991
  • Three fully dehydrated fully Rb+-exchanged zeolite A single crystals have been prepared by the reduction of all Na+ ions in dehydrated Na12-A by rubidium vapor at various experimental conditions (220 $\leq$ T $\leq$ 33$0^{\circ}C$, 2 $\leq$ t $\leq$24 hours, and 0.1 $\leq$ PRb $\leq$ 1.1 Torr). Their structures were determined by single-crystal X-ray diffraction methods in the space group {{{{ RHO }}m3m (a=12.245(3) A) at 22(1)$^{\circ}C$. In these structures 12.6(2) to 13.5(2) Rb species are found per unit cell, more than the 12 Rb+ ions needed to balance the anionic charge of the zeolite framework, indication that the sorption of Rb0 has occurred. In each structure, three Rb+ ions per unit cell are located at the centers of 8-rings. Beyond that, the fractional occupancies observed are simply explained by two unit cell arrangments. In one, two Rb+ ions are in the sodalite unit near opposite 6-rings, six are in the large cavity near 6-ring, and one is in the large cavity near a 4-ring. In the other, three Rb species in the sodalite cavity (forming a triangle 3.7 A on an edge) each bond (3.4 A) through a 6-ring to an Rb species in the large cavity to give an (Rb6)4+ cluster of symmetry 3m (C3V). Five additional Rb+ ions fill the remaining large-cavity 6-ring sites.

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Crystal Structure and Functional Characterization of a Xylose Isomerase (PbXI) from the Psychrophilic Soil Microorganism, Paenibacillus sp.

  • Park, Sun-Ha;Kwon, Sunghark;Lee, Chang Woo;Kim, Chang Min;Jeong, Chang Sook;Kim, Kyung-Jin;Hong, Jong Wook;Kim, Hak Jun;Park, Hyun Ho;Lee, Jun Hyuck
    • Journal of Microbiology and Biotechnology
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    • v.29 no.2
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    • pp.244-255
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    • 2019
  • Xylose isomerase (XI; E.C. 5.3.1.5) catalyzes the isomerization of xylose to xylulose, which can be used to produce bioethanol through fermentation. Therefore, XI has recently gained attention as a key catalyst in the bioenergy industry. Here, we identified, purified, and characterized a XI (PbXI) from the psychrophilic soil microorganism, Paenibacillus sp. R4. Surprisingly, activity assay results showed that PbXI is not a cold-active enzyme, but displays optimal activity at $60^{\circ}C$. We solved the crystal structure of PbXI at $1.94-{\AA}$ resolution to investigate the origin of its thermostability. The PbXI structure shows a $({\beta}/{\alpha})_8$-barrel fold with tight tetrameric interactions and it has three divalent metal ions (CaI, CaII, and CaIII). Two metal ions (CaI and CaII) located in the active site are known to be involved in the enzymatic reaction. The third metal ion (CaIII), located near the ${\beta}4-{\alpha}6$ loop region, was newly identified and is thought to be important for the stability of PbXI. Compared with previously determined thermostable and mesophilic XI structures, the ${\beta}1-{\alpha}2$ loop structures near the substrate binding pocket of PbXI were remarkably different. Site-directed mutagenesis studies suggested that the flexible ${\beta}1-{\alpha}2$ loop region is essential for PbXI activity. Our findings provide valuable insights that can be applied in protein engineering to generate low-temperature purpose-specific XI enzymes.

Good functional results with open reduction and internal fixation for locked posterior shoulder fracture-dislocation: a case series

  • Nicolas Moran;Michael Marsalli;Mauricio Vargas;Joaquin De la Paz;Marco Cartaya
    • Clinics in Shoulder and Elbow
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    • v.25 no.4
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    • pp.288-295
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    • 2022
  • Background: There is no standardized therapeutic strategy for locked posterior shoulder fracture-dislocation (PSFD), and no consensus exists on the analysis of preoperative factors. This retrospective study aimed to evaluate functional results and complications in a series of PSFD cases managed with open surgical treatment. Methods: Patients diagnosed with locked PSFD who underwent open surgical treatment with reduction and osteosynthesis between April 2016 and March 2020 were included. All participants were treated with open reduction and internal fixation. Functional assessment used the modified University of California, Los Angeles (UCLA) mod scale, American Shoulder and Elbow Surgeons (ASES) questionnaire, subjective shoulder value (SSV), and visual analog scale (VAS). Complications were evaluated clinically and radiologically by X-ray and computed tomography. Results: Twelve shoulders were included (11 patients; mean age, 40.6 years; range, 19- 62 years). The mean follow-up duration was 23.3 months (range, 12-63 months). The UCLA mod, ASES, SSV, and VAS scores were 29.1±3.7, 81.6±13.5, 78±14.8, and 1.2±1.4 points, respectively. The overall complication rate was 16.6%, with one case of post-traumatic stiffness, 1 case of chronic pain, and no cases of avascular necrosis. Conclusions: Open surgical treatment of locked PSFD can achieve good functional results. A correct understanding of these injuries and good preoperative planning helped us to achieve a low rate of complications.

Crystal Structure and Biochemical Analysis of a Cytochrome P450 Steroid Hydroxylase (BaCYP106A6) from Bacillus Species

  • Ki-Hwa Kim;Hackwon Do;Chang Woo Lee;Pradeep Subedi;Mieyoung Choi;Yewon Nam;Jun Hyuck Lee;Tae-Jin Oh
    • Journal of Microbiology and Biotechnology
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    • v.33 no.3
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    • pp.387-397
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    • 2023
  • Cytochrome P450 (CYP) is a heme-containing enzyme that catalyzes hydroxylation reactions with various substrate molecules. Steroid hydroxylases are particularly useful for effectively introducing hydroxyl groups into a wide range of steroids in the pharmaceutical industry. This study reports a newly identified CYP steroid hydroxylase (BaCYP106A6) from the bacterium Bacillus sp. and characterizes it using an in vitro enzyme assay and structural investigation. Bioconversion assays indicated that BaCYP106A1 catalyzes the hydroxylation of progesterone and androstenedione, whereas no or low conversion was observed with 11β-hydroxysteroids such as cortisol, corticosterone, dexamethasone, and prednisolone. In addition, the crystal structure of BaCYP106A6 was determined at a resolution of 2.8 Å to investigate the configuration of the substrate-binding site and understand substrate preference. This structural characterization and comparison with other bacterial steroid hydroxylase CYPs allowed us to identify a unique Arg295 residue that may serve as the key residue for substrate specificity and regioselectivity in BaCYP106A6. This observation provides valuable background for further protein engineering to design commercially useful CYP steroid hydroxylases with different substrate specificities.

Development of Radiation Detector with Intensifying Screen (증감지를 이용한 방사선검출기 개발)

  • Jeong-Min Seo
    • Journal of the Korean Society of Radiology
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    • v.17 no.6
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    • pp.859-863
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    • 2023
  • In this study, simple and portable radiation detection system using X-ray intensifying screen, optical sensor and micro-controller unit for education was proposed. The system was simply composed of detection unit consisting of an optical sensor and intensifying screen, micro-controller unit, and was designed to be suitable for portable. Radiation was measured using developed detection system and absorbed dose dosimeter with changing tube voltage from 50 to 100 kVp. The tube current and SDD were fixed on 100 mAs and 100 cm, and dose were measured repeated ten times at each tube voltage. The response and linearity of the detection system were confirmed using the measured values. It was confirmed that the comparison measurement results of the detection system and absorbed dose dosimeter showed a high correlation(r : 0.998, p<.001). In this results, the feasibility of the detection system with intensifying screen and micro-controller unit based was confirmed, and we considered that the developed detection system could be applied to portable, compact, low cost system for education.

The Crystal Structure of p-Phenylenediamine Dihydrochloride (p-Phenylenediamine Dihydrochloride의 結晶構造)

  • Koo, Chung-Hoe;Min, Tae-Won;Sin, Hyun-So
    • Journal of the Korean Chemical Society
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    • v.9 no.3
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    • pp.142-147
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    • 1965
  • The crystal structure of p-phenylenediamine dihydrochloride has been determined from X-ray oscillation and Weissenberg photographs. The crystal is triclinic, space group $C_i1-P{\bar\1},$ with cell dimensions $a = 4.38{\pm}0.02, b = 5.90{\pm}0.02, c = 8.76{\pm}0.03 {\AA}, {\alpha} = 110{\AA}1, {\beta} = 96{\pm}1\; and\; {\gamma} = 101{\pm}1^{\circ}.$ There is one molecule in the unit cell. The atomic coordinates were found by means of two-dimensional Fourier projection and ($F_o-F_c$) projection along the a, b and c axes. The structure of p-phenylenediamine dihydrochloride is discussed in relation to the structures of hexamethylenediamine dihydrochloride, hexamethylenediamine dihydroiodide and ethylenediamine dihydrochloride.

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Atomic-scale Controlled Epitaxial Growth and Characterization of Oxide Thin Films

  • Yang, G.Z.;Lu, H.B.;Chen, F.;Zhao, T.;Chen, Z.H.
    • Proceedings of the Optical Society of Korea Conference
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    • 2001.02a
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    • pp.6-11
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    • 2001
  • More than ten kinds of oxide thin films and their heterostructure have been successfully fabricated on SrTiO$_3$(001) substrates by laser molecular beam epitaxy (laser MBE). Measurements of atomic force microscopy (AFM), high-resolution transmission electron microscopy (HRTEM) and X-ray small-angle reflectivity reveal that the surfaces and interfaces are atom-level-smooth. The unit cell layers and the lattice structure are perfect. The electrical and optical properties of BaTiO$_3$-x thin films and BaTiO$_3$/SrTiO$_3$ (BTO/STO) superlattices were examined. The all-perovskite oxide P-N junctions have been successfully fabricated and the better I-V curves were observed.

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