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Design of a triple quantum coherence excitation schemefor protons in solid state NMR

机译:固体核磁共振中质子的三重量子相干激发方案的设计

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摘要

We present a rf scheme designed to excite triple quantum (TQ) coherences for proton solid stateNMR. This recoupling scheme is based on the phase modulated Lee Goldburg sequence combinedwith echo pulses and applied nonsynchronous with the magic angle spinning period. Based on theeffective bimodal Floquet Hamiltonian we optimize the conditions for TQ coherence excitation.Numerical simulations are used to further adjust the recoupling conditions as well as define thesequence limitations. Experimental TQ filtered one-dimensional spectra and two-dimensionalcorrelations of TQ to single quantum coherences are presented for-standard amino acids. Theseresults are compared with the crystal structures showing that this scheme can aid in resonanceassignments and in resolving local spin topologies.
机译:我们提出了一个rf方案,旨在激发质子固态NMR的三重量子(TQ)相干性。这种重新耦合方案是基于与回波脉冲相结合的相位调制的Lee Goldburg序列,并且与魔角旋转周期不同步地应用。基于有效的双峰Floquet哈密顿量,我们优化了TQ相干激发的条件。数值模拟用于进一步调整重耦合条件并定义这些频率限制。针对标准氨基酸,提出了实验性TQ过滤的一维光谱和TQ与单量子相干的二维相关性。将这些结果与晶体结构进行了比较,结果表明该方案可以帮助进行共振分配并解决局部自旋拓扑。

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