Hydrogen bonding and distance studies of amino acids and peptides using solid state 2D H-1-C-13 heteronuclear correlation spectra
Hydrogen bonding and distance studies of amino acids and peptides using solid state 2D H-1-C-13 heteronuclear correlation spectra
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DOI：
10.1021/ja952130r
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发表时间：
1996-01-31
影响因子：
15
通讯作者：
McDermott, A
中科院分区：
文献类型：
--
作者：
Gu, ZT;Ridenour, CF;McDermott, A
固态C-13-H-1 2D异质结相关光谱（Caravatti，P.; Bodenhausen，G.;恩斯特河R.化学物理快报1982，89，363-367. Roberts，J. E.; Vega，S.;格里芬河，巴西-地G. J. Am.化学分析1984，106，2506-2512）报道了具有天然丰度的C-13同位素组成的许多氨基酸和肽。这些HETCOR光谱通常对于每个碳具有多个质子交叉峰，并且这些交叉峰对于分配光谱非常有帮助。除了由具有大量运动的组引起的峰之外，峰体积与C-H距离相关，并且可以用于估计具有0.2埃的标准偏差的距离;可见交叉峰的最长距离为3埃。HECTOR脉冲序列也似乎是非常有用的研究氢键相互作用，因为大多数的C-O的距离…H-X氢键对在HETCOR可观察到的范围内。
Solid state C-13-H-1 2D HETeronuclear CORrelation spectra (Caravatti, P.; Bodenhausen, G.; Ernst, R. R. Chem. Phys. Lett. 1982, 89, 363-367. Roberts, J. E.; Vega, S.; Griffin, R. G. J. Am. Chem. Sec. 1984, 106, 2506-2512) are reported for many amino acids and peptides with C-13 isotopic composition at natural abundance. These HETCOR spectra often have multiple proton cross peaks for each carbon, and these cross peaks can be extremely helpful for assigning the spectrum. Apart from peaks due to groups that have a lot of motion, the peak volumes correlate with C-H distance and can be used to estimate distances with standard derivation of 0.2 Angstrom; the longest distances for which cross peaks are visible is 3 Angstrom. The HECTOR pulse sequence also appears to be very useful for studying hydrogen bonding interactions, since the distances for most of C-O ... H-X hydrogen bond pairs are within the range that is observable by HETCOR.