Structure and dynamics of L-selenomethionine in the solid state

被引：10
作者：
Gajda, Jaroslaw
Pacholczyk, Justyna
Bujacz, Anna
Bartoszak-Adamska, Elzbieta
Bujacz, Grzegorz
Ciesielski, Wlodzimierz
Potrzebowski, Marek J.
机构：
[1] Polish Acad Sci, Ctr Mol & Macromol Studies, PL-90363 Lodz, Poland
[2] Tech Univ Lodz, Inst Tech Biochem, PL-90924 Lodz, Poland
[3] Adam Mickiewicz Univ, Dept Chem, PL-60780 Poznan, Poland
来源：
JOURNAL OF PHYSICAL CHEMISTRY B | 2006年 / 110卷 / 51期
关键词：
D O I：
10.1021/jp063332k
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
L-selenomethionine 1 crystallizes in P2(1) space group with two molecules in the asymmetric unit. Solid-state NMR spectroscopy is used for searching of structure and dynamics of 1 in the crystal lattice. The distinct molecular motion of side chains for A and B molecules of 1 is apparent from measurements of relaxation parameters (H-1 Tau(1 rho), C-13 T-1) and analysis of CSA data (2D-PASS experiment). The C-13 delta(ii) and Se-77 delta(ii) parameters are correlated with theoretical shielding parameters obtained by means DFT GIAO calculations. Attempt to explain the mechanism of phase transition of crystals of 1 at 313K is presented.
引用
收藏
页码：25692 / 25701
页数：10
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