Synthesis and Characterization of A2CaCuO5(A=Nd, Sm)

1998 ◽  
Vol 12 (11) ◽  
pp. 427-431
Author(s):  
K. Jeyabalan ◽  
L. K. Kaliyaperumal ◽  
A. Sekar ◽  
J. Srinivas
Keyword(s):  
Diffraction Analysis ◽  
Unit Cell ◽  
Synthesis And Characterization ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Orthorhombic Crystal ◽  
X Ray ◽  
Cell Parameters

Synthesis and characterization of A 2 CaCuO 5( A=Nd, Sm ) system is reported. Powder X-ray diffraction analysis shows that the compounds crystallizes in an orthorhombic crystal systems and the unit cell parameters are found to be a=6.399(9)Å, b=7.218(8) Å and c=12.167(17) Å for Nd 2 CaCuO 5 and a=5.872(8) Å, b=7.457(3) Å and c=12.682(18) Å for Sm 2 CaCuO 5.

X-ray powder diffraction analysis of imipenem monohydrate

2012 ◽  
Vol 27 (1) ◽  
pp. 20-24
Author(s):  
F. Needham ◽  
C. E. Crowder ◽  
J. W. Reid ◽  
T. G. Fawcett ◽  
J. Faber
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Orthorhombic Crystal ◽  
X Ray ◽  
Cell Parameters ◽  
Pharmaceutical Agent ◽  
Structural Database

An experimental X-ray powder diffraction pattern was produced and analyzed for imipenem monohydrate, an antimicrobial pharmaceutical agent. Although there are no experimental powder patterns in the ICDD PDF-4/Organics Database, there is one powder pattern calculated with single-crystal X-ray diffraction data from the Cambridge Structural Database. Here, we report the refined experimental powder diffraction data for imipenem monohydrate. These data for imipenem monohydrate are consistent with an orthorhombic crystal system having reduced unit-cell parameters of a = 8.2534(3) Å, b = 11.1293(4) Å, and c = 15.4609(6) Å. The resulting unit-cell volume, 1420.15(15) Å3, indicates four formula units per unit cell. Observed peaks are consistent with the P212121 space group.

scholarly journals Recombinant expression, purification, crystallization and preliminary X-ray diffraction analysis ofHaemophilus influenzaeBamD and BamCD complex

2015 ◽  
Vol 71 (2) ◽  
pp. 234-238
Author(s):  
Jintang Lei ◽  
Xun Cai ◽  
Xiaodan Ma ◽  
Li Zhang ◽  
Yuwen Li ◽  
...  
Keyword(s):  
Diffraction Analysis ◽  
Recombinant Expression ◽  
Outer Membrane Proteins ◽  
Gel Filtration ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

The Bam machinery, which is highly conserved from bacteria to humans, is well recognized as the apparatus responsible for the insertion and folding of most outer membrane proteins in Gram-negative bacteria. InEscherichia coli, the Bam machinery consists of five components (i.e.BamA, BamB, BamC, BamD and BamE). In comparison, there are only four partners inHaemophilus influenzae: a BamB homologue is not found in its genome. In this study, the recombinant expression, purification, crystallization and preliminary X-ray diffraction analysis ofH. influenzaeBamD and BamCD complex are reported. The genes encoding BamC and BamD were cloned into a pET vector and expressed inE. coli. Affinity, ion-exchange and gel-filtration chromatography were used to obtain high-purity protein for further crystallographic characterization. Using the hanging-drop vapour-diffusion technique, BamD and BamCD protein crystals of suitable size were obtained using protein concentrations of 70 and 50 mg ml−1, respectively. Preliminary X-ray diffraction analysis showed that the BamD crystals diffracted to 4.0 Å resolution and belonged to space groupP212121, with unit-cell parametersa= 54.5,b= 130.5,c= 154.7 Å. The BamCD crystals diffracted to 3.8 Å resolution and belonged to space groupI212121, with unit-cell parametersa= 101.6,b= 114.1,c= 234.9 Å.

scholarly journals Purification and X-ray crystallographic analysis of 7-keto-8-aminopelargonic acid (KAPA) synthase fromMycobacterium smegmatis

2014 ◽  
Vol 70 (10) ◽  
pp. 1372-1375 ◽  
Author(s):  
Shanghua Fan ◽  
Defeng Li ◽  
Joy Fleming ◽  
Yuan Hong ◽  
Tao Chen ◽  
...  
Keyword(s):  
Crystallographic Analysis ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Essential Enzyme ◽  
Mycobacterial Growth

7-Keto-8-aminopelargonic acid synthase (KAPA synthase; BioF) is an essential enzyme for mycobacterial growth that catalyses the first committed step in the biotin-synthesis pathway. It is a pyridoxal 5′-phosphate (PLP)-dependent enzyme and is a potential drug target. Here, the cloning, expression, purification and crystallization of KAPA synthase fromMycobacterium smegmatis(MsBioF) and the characterization of MsBioF crystals using X-ray diffraction are described. The crystals diffracted to 2.3 Å resolution and belonged to the monoclinic space groupP21, with unit-cell parametersa= 70.88,b= 91.68,c= 109.84 Å, β = 97.8°. According to the molecular weight of MsBioF, the unit-cell parameters and the self-rotation function map, four molecules are present in each asymmetric unit with aVMvalue of 2.06 Å3 Da−1and a solvent content of 40.20%.

scholarly journals Crystallization and preliminary X-ray diffraction analysis of the BRPF1 bromodomain in complex with its H2AK5ac and H4K12ac histone-peptide ligands

2014 ◽  
Vol 70 (10) ◽  
pp. 1389-1393 ◽  
Author(s):  
Mulu Y. Lubula ◽  
Amanda Poplawaski ◽  
Karen C. Glass
Keyword(s):  
Diffraction Analysis ◽  
National Laboratory ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Direct Role ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

The bromodomain-PHD finger protein 1 (BRPF1) is an essential subunit of the monocytic leukemia zinc (MOZ) histone acetyltransferase (HAT) complex and is required for complex formation and enzymatic activation. BRPF1 contains a structurally conserved bromodomain, which recognizes specific acetyllysine residues on histone proteins. The MOZ HAT plays a direct role in hematopoiesis, and deregulation of its activity is linked to the development of acute myeloid leukemia. However, the molecular mechanism of histone-ligand recognition by the BRPF1 bromodomain is currently unknown. The 117-amino-acid BRPF1 bromodomain was overexpressed inEscherichia coliand purified to homogeneity. Crystallization experiments of the BRPF1 bromodomain in complex with its H4K12ac and H2AK5ac histone ligands yielded crystals that were suitable for high-resolution X-ray diffraction analysis. The BRPF1 bromodomain–H4K12ac crystals belonged to the tetragonal space groupP43212, with unit-cell parametersa= 75.1,b= 75.1,c= 86.3 Å, and diffracted to a resolution of 1.94 Å. The BRPF1 bromodomain–H2AK5ac crystals grew in the monoclinic space groupP21, with unit-cell parametersa= 60.9,b= 55.6,c= 82.1 Å, β = 93.6°, and diffracted to a resolution of 1.80 Å. Complete data sets were collected from both crystal forms using synchrotron radiation on beamline X29 at Brookhaven National Laboratory (BNL).

scholarly journals Crystallization and preliminary X-ray diffraction analysis of Lin1840, a putative β-glucosidase fromListeria innocua

2014 ◽  
Vol 70 (10) ◽  
pp. 1398-1401 ◽  
Author(s):  
Masahiro Nakajima ◽  
Ryuta Yoshida ◽  
Akimasa Miyanaga ◽  
Hayao Taguchi
Keyword(s):  
Diffraction Analysis ◽  
Gene Cluster ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Gene Encoding ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

Lin1840 is a putative β-glucosidase that is predicted to be involved in 1,2-β-glucan metabolism since thelin1839gene encoding a 1,2-β-oligoglucan phosphorylase and thelin1840gene are located in the same gene cluster. Here, Lin1840 was crystallized. The crystals of Lin1840 diffracted to beyond 1.8 Å resolution. The crystal belonged to space groupI121, with unit-cell parametersa= 89.75,b= 95.10,c= 215.00 Å, α = 90.00, β = 96.34, γ = 90.00°.

Conventional synthesis and characterization of rare earth doped barium borophosphates, BaBPO5:RE (Y, Gd and La)

2016 ◽  
Vol 81 (2) ◽  
pp. 49-54
Author(s):  
G. Çelik Gül ◽  
F. Kurtuluş
Keyword(s):  
Rare Earth ◽  
Synthesis Method ◽  
Unit Cell ◽  
Synthesis And Characterization ◽  
Dihydrogen Phosphate ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Rare Earth Doped

Purpose: of this research, our target is synthesis and characterization of rare earth metalssuch as Y, Gd and La doped barium borophosphate compounds which are applicable innon-linear optics industry.Design/methodology/approach: The starting materials rare earth oxides, bariumcarbonate, boric acid and ammonium dihydrogen phosphate as analytically grade weighed0.01:1:1:1 molar ratio and homogenized in an agate mortar. The mixture placed into aporcelain crucible to heat in high temperature oven step by step. First, mixtures were waitedat 400°C for 2 hours for calcination process, subsequently heated 900°C with step rate10°C/m for 8 hours, and finally cooled down to room temperature with step rate 10°C/m.After many grindings final product get ready for characterization. X-ray powder diffraction(XRD) analysis was performed using PANanalytical X’Pert PRO Diffractometer (XRD) withCu Kα (1.5406 Å, 45 kV and 30 mA) radiation. Fourier transform infrared spectroscopy(FTIR) was taken on a Perkin Elmer Spectrum 100 FTIR Spectrometer from 4000 to 650cm-1. Scanning electron microscopy was achieved in SEM JEOL 6390-LV. Luminescenceproperties were performed by Andor Solis Sr 500i spectrophotometer. Conventional solidstate syntheses were done in Protherm furnace.Findings: The powder XRD patterns of the samples show that there is no impurity related todoping materials mean all diffractions corresponding to host material barium borophosphatecrystallized in hexagonal system with unit cell parameters a=7.1003 and c=6.9705 Å. Theunit cell parameters of rare earth doped barium borophosphates were calculated and displayboth increase and decrease depends on ionic Radius of rare earths. The other supportingmethods confirm the crystal structure and luminescence properties.Research limitations/implications: The synthesis method has some disadvantagessuch as low homogeneity, non-uniform product etc. We tried to minimize these negativeaspects in our research and succeeded.Practical implications: Phosphor materials Y:BaBPO5, Gd:BaBPO5 and La:BaBPO5(ICSD 51171) were synthesized by conventional solid state method and characterizationswas mainly based on powder X-ray diffraction pattern. Also, morphological and luminescenceproperties were completed to get the highest knowledge.Originality/value: Of the paper is first time conventional synthesis of Y, Gd and La dopedBaBPO5 compounds, calculation of unit cell parameters, and investigation of morphologicaland luminescent properties.

Hydrothermal synthesis and characterization of the praseodymium borate-nitrate Pr[B5O8(OH)(H2O)0.87]NO3·2H2O

2017 ◽  
Vol 72 (9) ◽  
pp. 677-685
Author(s):  
Teresa S. Ortner ◽  
Hubert Huppertz
Keyword(s):  
Hydrothermal Synthesis ◽  
Synthesis And Characterization ◽  
The Novel ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Rare Earth Borate ◽  
Ir And Raman

AbstractThe praseodymium borate-nitrate Pr[B5O8(OH)(H2O)0.87]NO3·2H2O was obtained in a hydrothermal synthesis. It crystallizes monoclinically in the space groupP21/n(no. 14) with four formula units (Z=4) and unit cell parameters ofa=641.9(3),b=1551.8(7),c=1068.4(5) pm, withβ=90.54(2)° yieldingV=1.0643(8) nm3. The defect variant constitutes the missing member in the series of isostructural, early rare earth borate-nitrates of the compositionRE[B5O8(OH)(H2O)x]NO3·2H2O [RE=La (x=0; 1), Ce (x=1), Nd (x=0.85), Sm (x=0)]. In addition to powder and single-crystal X-ray diffraction data, the novel borate-nitrate was characterized through IR and Raman spectroscopy.

Synthesis and characterization of a new trimetallic compound (NH4)Ni2.4Co0.6O(OH)(MoO4)2•1.5H2O

2014 ◽  
Vol 29 (4) ◽  
pp. 379-382 ◽  
Author(s):  
Sandra Amaya ◽  
Johana Arboleda ◽  
Adriana Echavarría
Keyword(s):  
Thermal Analysis ◽  
Laser Raman Spectroscopy ◽  
Synthesis And Characterization ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Laser Raman ◽  
Fourier Transformed Infrared Spectroscopy

A new trimetallic compound with formula (NH4)Ni2.4Co0.6O(OH)(MoO4)2•1.5H2O was obtained by hydrothermal synthesis. The solid was characterized by X-ray diffraction, thermal analysis (thermogravimetric analysis and differential thermal analysis), Fourier-transformed infrared spectroscopy, Laser Raman spectroscopy, and chemical analysis by atomic absorption, confirming the formation of the layered phase ϕy. Crystallographic studies showed that the compound obtained is trigonal with hexagonal unit-cell parameters, a = 6.0468 ± 0.0016 Å and c = 21.8433 ± 0.0001 Å, and space group R-3m.

scholarly journals Synthesis, Crystal Structures and Characterization of Two Nonmetal Cation Tetrafluoroborates

Crystals ◽  
2020 ◽  
Vol 10 (9) ◽  
pp. 812
Author(s):  
Noura Othman Alzamil ◽  
Ghareeba Mussad Al-Enzi ◽  
Aishah Hassan Alamri ◽  
Insaf Abdi ◽  
Amor BenAli
Keyword(s):  
Thermal Analysis ◽  
Hydrofluoric Acid ◽  
Cell Parameter ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Microwave Assisted

Two new nonmetal cation tetrafluoroborate phases [H3tren](BF4)3 (I) and [H3tren](BF4)3 HF (II) were synthesized by microwave-assisted solvothermal and characterized by single crystal X-ray diffraction, IR spectroscopy and thermal analysis DTA-TGA. [H3tren](BF4)3 is cubic (P213) with unit cell parameter a = 11.688(1) Å. [H3tren](BF4)3•HF is trigonal (R3c) with unit cell parameters a = 15.297(6) Å and c = 12.007(2) Å. Both (I) and (II) structures can be described from isolated tetrafluoroborate BF4- anions, triprotonated tris-(2-aminoethyl)amine (tren) [H3tren]3+. Phase (II) contains disordered BF4- tetrahedron and hydrofluoric acid.

Synthesis and Characterization of La2Ca2Cu2O7 Compound

1998 ◽  
Vol 12 (23) ◽  
pp. 991-993
Author(s):  
L. K. Kaliyaperumal ◽  
J. Srinivas ◽  
K. Jeyabalan
Keyword(s):  
Diffraction Analysis ◽  
Ambient Pressure ◽  
Lattice Parameters ◽  
Synthesis And Characterization ◽  
Orthorhombic Crystal System ◽  
X Ray Diffraction ◽  
Orthorhombic Crystal ◽  
X Ray ◽  
Crystal System

Synthesis and characterization of La 2 Ca 2 Cu 2 O 7 compound at ambient pressure is reported here. The powder X-ray diffraction analysis shows that the compound crystallizes in an orthorhombic crystal system with lattice parameters a = 5.770(4) Å, b = 5.887(7) Å and c = 27.37(2) Å.

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