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利用 X 选择性 BIRD 同核去耦实现均匀同位素标记分子的实时纯位移测量。

Real-time pure shift measurements for uniformly isotope-labeled molecules using X-selective BIRD homonuclear decoupling.

机构信息

Institut für Organische Chemie and Institut für Biologische Grenzflächen 4 - Magnetische Resonanz, Karlsruher Institut für Technologie (KIT), Fritz-Haber-Weg 6, 76133 Karlsruhe, Germany.

Eötvös Loránd University, Institute of Chemistry, Laboratory of Structural Chemistry and Biology, Pázmány Péter sétány 1/a, Budapest 1117, Hungary.

出版信息

J Magn Reson. 2019 May;302:64-71. doi: 10.1016/j.jmr.2019.03.011. Epub 2019 Mar 30.

Abstract

We introduce a novel selective inversion element for chunked homonuclear decoupling that combines isotope selection via BIRD-filtering with band-selective inversion on the X-heteronucleus and allows efficient real-time decoupling of homonuclear and heteronuclear couplings. It is especially suitable for uniformly isotope-labeled compounds. We discuss in detail the inversion element based on band-selective refocusing on the X-nuclei (BASEREX), highlighting in particular the role of appropriate band-selective shaped refocusing pulses and the application of broadband X-pulses for an effective BIRD element during homodecoupling. The approach is experimentally verified and studied in detail using uniformly C-labeled glucose and a uniformly N,C-labeled amino acid mixture.

摘要

我们引入了一种新的用于分块同核去耦的选择性反转单元,该单元将通过 BIRD 滤波的同位素选择与 X 异核上的带选择性反转相结合,可实现同核和异核耦合的高效实时去耦。它特别适用于均匀同位素标记的化合物。我们详细讨论了基于 X 核带选择性重聚焦的反转单元(BASEREX),特别强调了适当的带选择性整形重聚焦脉冲的作用以及宽带 X 脉冲在同核去耦期间作为有效 BIRD 单元的应用。该方法使用均匀 C 标记的葡萄糖和均匀 N、C 标记的氨基酸混合物进行了实验验证和详细研究。

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