Easy-Going On-Spectrometer Optimisation of Phase Modulated Homonuclear Decoupling Sequences in Solid-State NMR
Easy-Going On-Spectrometer Optimisation of Phase Modulated Homonuclear Decoupling Sequences in Solid-State NMR
复制标题
固态核磁共振中相位调制同核解耦序列的简便光谱仪优化
DOI：
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发表时间：
2011
期刊：
影响因子：
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通讯作者：
P. M. Kentgens
中科院分区：
文献类型：
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作者：
Dennis L. A. G. Grimminck;S. Vasa;W. Meerts;P. M. Kentgens
提出了一种固态核磁共振中相位调制质子同核去偶序列的一步多参数优化方案。使用协方差矩阵适应进化策略算法对由 DUMBO 傅里叶系数参数化的相位调制进行优化。我们的方法被称为 EASY-GOING DUMBO，从无特征的光谱开始，并在质子或碳信号检测期间优化质子-质子解耦。在中等样本魔角旋转 (MAS) 频率和中等射频 (rf) 场强下进行优化，得到的解决方案与 (e)DUMBO 非常相似。应用 EASY-GOING DUMBO 在 400 MHz NMR 波谱仪上以非常高的 680 kHz 射频场强、12.5 kHz MAS 进行优化，产生了一种新的解决方案，具有具有竞争力的质子谱解析。
A one-step many-parameter optimisation scheme for phase modulated proton homonuclear decoupling sequences in solid-state NMR is presented. Phase modulations, parameterised by DUMBO Fourier coefficients, were optimised using a Covariance Matrix Adaptation Evolution Strategies algorithm. Our method, denoted EASY-GOING DUMBO, starts with featureless spectra and optimises proton–proton decoupling, during either proton or carbon signal detection. Optimisations at moderate sample magic angle spinning (MAS) frequencies and medium radio-frequency (rf) field strengths resulted in solutions closely resembling (e)DUMBO. Application of EASY-GOING DUMBO for optimisation at very high 680 kHz rf field strength, 12.5 kHz MAS on a 400 MHz NMR spectrometer resulted in a new solution, with competitively resolved proton spectra.