Pr（ Ⅲ ） and Nd（ Ⅲ ） can be utilized as absorption spectroscopic probes to investigate the interaction of biomolecules like Lysozyme （HEW） with Ca（ Ⅱ ） in-vitro ; the most abundant metal ion in the human bod...Pr（ Ⅲ ） and Nd（ Ⅲ ） can be utilized as absorption spectroscopic probes to investigate the interaction of biomolecules like Lysozyme （HEW） with Ca（ Ⅱ ） in-vitro ; the most abundant metal ion in the human body system. The spectroscopic techniques involving comparative absorption, absorption difference, and quantitative intensity analysis using 4f-4f transitions are utilized for changes in the inner sphere coordination pattern of Pr（ Ⅲ ） and Nd（Ⅲ ） in solution as well as in solid state. The present study deals with an important biomolecule in human metabolism, that is, Lysozyme （HEW）. The absorption er-Condon the probab spectral parameters such as the oscillator strength （P）, the Judd-Ofelt （Tλ） intensity parameters, and the Slatinter electronic parameters are calculated using chi square methods. The obtained results are used to determine le geometry of the complex in the solution, the nature of the bond between Pr（Ⅲ）/Nd（Ⅲ） with lysozyme, and the inner sphere coordination environment of f-f transitions. The results obtained from various experimental conditions are utilized to investigate the coordination changes in the Pr（Ⅲ）/Nd（Ⅲ） complexes caused by different coordinating sites of lysozyme, normalized bite, denticity, the solvent nature, the coordination number, the nature of bond and other parameters to mimic the interaction of the Ca（ Ⅱ ） ion with such biomolecule.展开更多
The crystal structure of species Pr(NO3)3·2TBMA (TBMA=N,N,N′,N′-tetrabutyl malonamide) has been determined by X-ray diffraction. The compound crystallizes in the triclinic system, P1 space group, a=1.318 5(18) ...The crystal structure of species Pr(NO3)3·2TBMA (TBMA=N,N,N′,N′-tetrabutyl malonamide) has been determined by X-ray diffraction. The compound crystallizes in the triclinic system, P1 space group, a=1.318 5(18) nm, b=1.449(2) nm, c=1.494(2) nm, α=70.03(2)°, β=71.53(2)°, γ=83.75(2)°, V=2.546(6) nm3, Z=2, Mr=979.97, Dc=1.278 g·cm-3, F(000)=1 032, R1=0.054 7. In each molecule, the metal ion is 10-coordinate, being bonded to two nearly coplanar bidentate TBMA ligands and three bidentate nitrate ions, two of them located on each side of the plane defined by the TBMA ligands and the third one crossing the plane. The geometry can be best described in terms of pentagonal bipyramid with each bidentate nitrate occupying one site. The two coordinated C=O groups in TBMA are not parallel, the O(1)-C(1)...C(3)-O(2) and O(3)-C(20)...C(22)-O(4) torsion angles are 129.73° and -48.43° respectively. The absorption bands belonging to the coordinated carbonyl vibration split into two peaks at 1 577.96 and 1 608.43 cm-1 respectively, which is caused by the different environment. The thermal decomposition of the complex is in three steps. CCDC: 231276.展开更多
文摘Pr（ Ⅲ ） and Nd（ Ⅲ ） can be utilized as absorption spectroscopic probes to investigate the interaction of biomolecules like Lysozyme （HEW） with Ca（ Ⅱ ） in-vitro ; the most abundant metal ion in the human body system. The spectroscopic techniques involving comparative absorption, absorption difference, and quantitative intensity analysis using 4f-4f transitions are utilized for changes in the inner sphere coordination pattern of Pr（ Ⅲ ） and Nd（Ⅲ ） in solution as well as in solid state. The present study deals with an important biomolecule in human metabolism, that is, Lysozyme （HEW）. The absorption er-Condon the probab spectral parameters such as the oscillator strength （P）, the Judd-Ofelt （Tλ） intensity parameters, and the Slatinter electronic parameters are calculated using chi square methods. The obtained results are used to determine le geometry of the complex in the solution, the nature of the bond between Pr（Ⅲ）/Nd（Ⅲ） with lysozyme, and the inner sphere coordination environment of f-f transitions. The results obtained from various experimental conditions are utilized to investigate the coordination changes in the Pr（Ⅲ）/Nd（Ⅲ） complexes caused by different coordinating sites of lysozyme, normalized bite, denticity, the solvent nature, the coordination number, the nature of bond and other parameters to mimic the interaction of the Ca（ Ⅱ ） ion with such biomolecule.
文摘The crystal structure of species Pr(NO3)3·2TBMA (TBMA=N,N,N′,N′-tetrabutyl malonamide) has been determined by X-ray diffraction. The compound crystallizes in the triclinic system, P1 space group, a=1.318 5(18) nm, b=1.449(2) nm, c=1.494(2) nm, α=70.03(2)°, β=71.53(2)°, γ=83.75(2)°, V=2.546(6) nm3, Z=2, Mr=979.97, Dc=1.278 g·cm-3, F(000)=1 032, R1=0.054 7. In each molecule, the metal ion is 10-coordinate, being bonded to two nearly coplanar bidentate TBMA ligands and three bidentate nitrate ions, two of them located on each side of the plane defined by the TBMA ligands and the third one crossing the plane. The geometry can be best described in terms of pentagonal bipyramid with each bidentate nitrate occupying one site. The two coordinated C=O groups in TBMA are not parallel, the O(1)-C(1)...C(3)-O(2) and O(3)-C(20)...C(22)-O(4) torsion angles are 129.73° and -48.43° respectively. The absorption bands belonging to the coordinated carbonyl vibration split into two peaks at 1 577.96 and 1 608.43 cm-1 respectively, which is caused by the different environment. The thermal decomposition of the complex is in three steps. CCDC: 231276.
