Leppert Jörg, Heise Bert, Görlach Matthias, Ramachandran Ramadurai
Abteilung Molekulare Biophysik/NMR-Spektroskopie, Institut für Molekulare Biotechnologie, Jena, Germany.
J Biomol NMR. 2002 Jul;23(3):227-38. doi: 10.1023/a:1019808931137.
A numerical assessment of the efficacy of REDOR recoupling of heteronuclear dipolar interactions employing adiabatic dephasing pulses has been carried out by considering an isolated dipolar coupled spin 1/2 I-S system. At moderate magic angle spinning frequencies in the range of 3-6 kHz and when the CSA of the dephased spins is large, it is shown that efficient broadband heteronuclear dipolar recoupling and reliable distance estimates can be achieved even under conditions where a significant fraction of the rotor period is occupied by the adiabatic pulse. The efficacy of REDOR with adiabatic inversion pulses has been demonstrated experimentally in two model 15N-13C spin systems, (13C',15N) Aib-(15N) Aib-NH2 (Aib = alpha-aminoisobutyric acid) and (1-13C,15N) glycine.
通过考虑一个孤立的偶极耦合自旋1/2 I-S系统，对采用绝热退相脉冲的异核偶极相互作用的REDOR重新耦合效率进行了数值评估。在3 - 6 kHz范围内的中等魔角旋转频率下，当退相自旋的化学位移各向异性（CSA）较大时，结果表明，即使在相当一部分转子周期被绝热脉冲占据的条件下，也能实现高效的宽带异核偶极重新耦合和可靠的距离估计。绝热反转脉冲的REDOR效率已在两个模型15N - 13C自旋系统，即(13C',15N) Aib-(15N) Aib-NH2（Aib = α-氨基异丁酸）和(1-13C,15N)甘氨酸中通过实验得到了证明。
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