• 제목/요약/키워드: x-ray crystallography

검색결과 316건 처리시간 0.023초

The Regulatory Domain of Troponin C: To Be Flexible or Not To Be Flexible

  • Gagne, Stephane M.;Sykes, Michael T.;Sykes, Brain D.
    • 한국자기공명학회논문지
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    • 제2권2호
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    • pp.131-140
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    • 1998
  • The calcium-induced structural changes in the skeletal muscle regulatory protein troponin C (NTnC) involve a transition from a ‘closed’to an ‘open’structure with the concomitant exposure of a large hydrophobic interaction site for target proteins. Structural studies have served to define this conformational change and elucidate the mechanism of the linkage between calcium binding and the induced structural changes. There are now several structures of NTnC available from both NMR and X-ray crystallography. Comparison of the calcium bound structures reveals differences in the level of opening. We have considered the concept of a flexible open state of NTnC as a possible explanation for this apparent discrepancy. We also present simulations of the closed-to-open transition which are in agreement with the flexibility concept and with experimental energetics data.

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더해지는 기준신호를 이용한 위성복원: I. 이론 (Phase Retrieval Using an Additive Reference Signal: I. Theory)

  • Woo Shik Kim
    • 전자공학회논문지B
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    • 제31B권5호
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    • pp.26-33
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    • 1994
  • Phase retrieval is concerned with the reconstruction of a signal from its Fourier transform magnitude (or intensity), which arises in many areas such as X-ray crystallography, optics, astronomy, or digital signal processing. In such areas, the Fourier transform phase of the desired signal is lost while measuring Fourier transform magnitude (F.T.M.). However, if a reference 'signal is added to the desired signal, then, in the Fourier trans form magnitude of the added signal, the Fourier transform phase of the desired signal is encoded. This paper addresses uniqueness and retrieval of the encoded Fourier phase of a multidimensional signal from the Fourier transform magnitude of the added signal along with the Fourier transform magnitude of the desired signal and the information of the additive reference signal. In Part I, several conditions under which the desired signal can be uniquely specified from the two Fourier transform magnitudes and the additive reference signal are presented. In Part II, the development of non-iterative algorithms and an iterative algorithm that may be used to reconstruct the desired signal(s) is considered.

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더해지는 기준신호를 이용한 위성복원: II. 복원 (Phase Retrieval Using an Additive Reference Signal: II. Reconstruction)

  • Woo Shik Kim
    • 전자공학회논문지B
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    • 제31B권5호
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    • pp.34-41
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    • 1994
  • Phase retrieval is concerned with the reconstruction of a signal from its Fourier transform magnitude (or intensity), which arises in many areas such as X-ray crystallography, optics, astronomy, or digital signal processing In such areas, the Fourier transform phase of the desired signal is lost while measuring Fourier transform magnitude (F.T.M.). However, if a reference 'signal is added to the desired signal, then, in the Fourier trans form magnitude of the added signal, the Fourier transform phase of the desired signal is encoded This paper addresses uniqueness and retrieval of the encoded Fourier phase of a multidimensional signal from the Fourier transform magnitude of the added signal along with Fourier transform magnitude of the desired signal and the information of the additive reference signal In Part I, several conditions under which the desired signal can be uniquely specified from the two Fourier transform magnitudes and the additive reference signal are presented In Part II, the development of non-iterative algorithms and an iterative algorithm that may be used to reconstruct the desired signal (s) is considered

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Synthesis and Characterization of 1-D BiSI and 2-D BiOI Nanostructures

  • Lee, Juheon;Min, Bong-Ki;Cho, Insu;Sohn, Youngku
    • Bulletin of the Korean Chemical Society
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    • 제34권3호
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    • pp.773-776
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    • 2013
  • We have prepared 1-D BiSI and 2-D BiOI nanostructures, and characterized them by scanning electron microscopy, transmission electron microscopy (TEM), X-ray diffraction crystallography, thermogravimetric analysis/differential scanning calorimetry, and UV-visible absorption. Here, we first report clear HR-TEM image of BiSI. In addition, we first found that the growth direction of BiSI is [12-1] plane, with the neighboring distance of 0.30 nm. The crystal structures of BiSI and BiOI are found to be orthorhombic (Pnam) and tetragonal (P4/nmm), respectively. The absorption band gaps of BiSI and BiOI are measured to be 1.55 and 1.92 eV, respectively. Our study could further highlight the applications of V-VI-VII compounds.

Hexaphenylbenzene $C_6(C_6H_5)_6$

  • Kim Young-Sang;Ko Jaejung;Kang Sang Ook;Han Won-Sik;Jeong Jae-Ho;Suh Il-Hwan
    • 한국결정학회지
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    • 제16권1호
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    • pp.1-5
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    • 2005
  • The structure of the title compound has been determined by single-crystal X-ray diffraction work. The crystals are orthorhombic, space group $Pna2_1$ with a=11.095(3), b=21.834(7), c=12.574(4) $\AA$, and R1=0.0667. The average carbon bond length in aromaticity In the molecule is 1.386(1) $\AA$ and the average single bond length linking the central benEene ring and peripheral phenyl rings is 1.491(3) $\AA$. The average dihedral angle between the central benzene ring and each of six peripheral phenyl rings is $67.1(1)^{\circ}$ and the average dihedral angle between neighboring two phenyl rings is $55.0(1)^{\circ}$. Thus the molecule adopts a quasi-propeller configuration with approximate six-fold rotation symmetry.

p-tert-butylcalix[4]arene Hexanoate의 구조 : 또다른 Cone Conformer (Structure of p-tern-butylcalix[4]arene Hexanoate : An Another Cone Conformer)

  • 박영자;노광현
    • 한국결정학회지
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    • 제11권1호
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    • pp.1-5
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    • 2000
  • An another symmetric cone conformational isomer of p-tert-butylcalix[4]arene hexanoate(C/sub 68/H/sub 96/O/sub 8/) was prepared and was determined by X-ray diffraction method. The crystals are orthorhombic, Pbca, a=20.625(3) Å, b=21.291(3)Å, c=30.22(4)Å, V=13271(2)ų and Z=8. The intensity data were collected on an Enraf-Noninus CAD-4 diffractometer with a graphite monochromated Mo-Kα radiation. The structure was solved by direct method and refined by least-squares calculations to a final R value of 0.138 for 2394 observed reflections. The molecular conformation is distorted symmetric cone with the flattening B and D phenyl rings.

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$2-SC_4H_3CH=NN(H)C_6H_5$$(GaMe_2)_2(2-SSC_4H_3CH=NNC_6H_5)_2$의 합성과 분자 구조 (Synthesis and Molecular Structures of $2-SC_4H_3CH=NN(H)C_6H_5 and (GaMe_2)_2(2-SC_4H_3CH=NNC_6H_5)_2$)

  • 박권일;김용기;조성일
    • 한국결정학회지
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    • 제11권1호
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    • pp.46-51
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    • 2000
  • The molecular structures of 2-SC₄H₃CH=NN(H)C/sub 6/H/sub 5/(C/sub 11/H/sub 10/N₂S) and (GaMe₂)₂(2-SC₄H₃CH=NNC/sub 6/H/sub 5/)₂(C/sub 26/H/sub 30/Ga₂N₄S₂) have been determined by X-ray diffraction. Crystallographic data for 2-SC₄H₃CH=NN(H)C/sub 6/H/sub 5/:orthorhombic space group P2₁2₁2₁, a=6.108(1)Å, b=7.593(1)Å, c=22.356(2)Å, V=1037.1(3)ų, Z=4, R=0.0613. Crystallographic data for (GaMe₂)₂(2-SC₄H₃CH=NNC/sub 6/H/sub 5/)₂:monoclinic space group P2₁/n, a=15.996(2) Å, c=9.879(3)Å, β=100.07.(2)°, V=2764.599)ų, Z=4, R=0.0503.

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Microstructural Characterization of $CaTiO_3-NdAlO_3$-Based Ceramics

  • Suvorov, Danilo;Drazic, Goran;Valant, Matjaz;Jancar, Bostjan
    • 한국결정학회지
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    • 제11권4호
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    • pp.195-199
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    • 2000
  • Ceramics based on CaTiO₃-NdAlO₃ solid solutions were synthesized in order to study their dielectric microwave properties. Microstructural analysis was performed with scanning electron microscopy (SEM) and transmission electron microscopy (TEM) using different analytical methods such as energy-dispersive X-ray spectroscopy (EDXS). It was observed that the heating conditions during sintering and cooling strongly affect the microstructural development of CaTiO₃-NdAlO₃-based ceramics. Various types and concentrations of structural defects were identified, for example, dislocations, twins and/or antiphase boundaries. all such defects resulted in a degradation of the dielectric microwave properties, in particular the quality factor Q. Dielectric properties of CaTiO₃-NdAlO₃-based ceramics can be improved by an appropriate thermal treatment of ceramics which results in a decrease in the concentrations of the identified microstructural defects.

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Recombinant Expression, Isotope Labeling and Purification of the Vitamin D Receptor Binding Peptide

  • Chae, Young-Kee;Singarapu, Kiran;Westler, W. Milo;Markley, John L.
    • Bulletin of the Korean Chemical Society
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    • 제32권12호
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    • pp.4337-4340
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    • 2011
  • The vitamin D receptor binding peptide, VDRBP, was overexpressed as a fused form with the ubiquitin molecule in Rosetta(DE3)pLysS, a protein production strain of Escherichia coli harboring an induction controller plasmid. The fusion protein was bound to the immobilized metal ions, and the denaturation and renaturation of the fusion protein were performed as a part of the purification procedure. After the elution of the fusion protein, the peptide hormone was released from its fusion partner by using yeast ubiquitin hydrolase (YUH), and subsequently purified by reverse phase chromatography. The purity of the resulting peptide fragment was checked by MALDI-TOF mass and NMR spectroscopy. The final yields of the target peptide were around 5 and 2 mg per liter of LB and minimal media, respectively. The recombinant expression and purification of this peptide will enable structural and functional studies using multidimensional NMR spectroscopy and X-ray crystallography.

Synthesis, Characterization and Biological Activities of Novel (E)-3-(1-(Alkyloxyamino)ethylidene)-1-alkylpyrrolidine-2,4-dione Derivatives

  • Zhu, Zhao-Yong;Shi, Qing-Ming;Han, Bao-Feng;Wang, Xian-Feng;Qiang, Sheng;Yang, Chun-Long
    • Bulletin of the Korean Chemical Society
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    • 제31권9호
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    • pp.2467-2472
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    • 2010
  • Twenty novel tetramic acid derivatives (E)-3-(1-(alkyloxyamino)ethylidene)-1-alkylpyrrolidine-2,4-diones were synthesized by the reaction of 3-(1-hydroxyethylidene)pyrrolidine-2,4-diones with O-alkyl hydroxylamines. The title compounds were confirmed by IR, $^1H$ NMR, MS and elemental analysis. The structure of compound 6r was further verified by X-ray diffraction crystallography. The bioassays showed that most of the title compounds exhibited noticeable herbicidal and fungicidal activities.