Clemens Schöpf Institut für Organische Chemie und Biochemie, Technische Universität Darmstadt, Petersenstr. 22, 64287 Darmstadt, Germany.
J Magn Reson. 2012 Mar;216:134-43. doi: 10.1016/j.jmr.2012.01.008. Epub 2012 Feb 1.
The accurate and precise measurement of one-bond scalar and residual dipolar coupling (RDC) constants is of prime importance to be able to use RDCs for structure determination. If coupling constants are to be extracted from the indirect dimension of HSQC spectra a significant saving of measurement time can be achieved by non-uniform sampling (NUS). Coupling constants can either be obtained with the same precision as in traditionally acquired spectra in a fraction of the measurement time or the precision can be significantly improved if the same amount of measurement time as for traditionally acquired spectra is invested. The application of NUS for the measurement of (1)J (scalar coupling constants) and (1)T (total couplings constants) from different kinds of ω(1)-coupled spectra (including also J-scaled ones) is examined in detail and the possible gains in time or resolution are discussed. When using the newly proposed compressed sensing (CS) algorithm for processing, the quality of the spectra is comparable to the traditionally sampled ones.
准确而精确地测量单键标量和残余偶极耦合（RDC）常数对于能够将 RDC 用于结构确定至关重要。如果要从 HSQC 光谱的间接维度中提取耦合常数，则通过非均匀采样（NUS）可以显著节省测量时间。耦合常数可以在测量时间的一小部分内以与传统采集光谱相同的精度获得，或者如果投入与传统采集光谱相同的测量时间，则可以显著提高精度。详细检查了 NUS 在测量不同种类的 ω（1）-耦合光谱（包括 J 标度光谱）中的（1）J（标量耦合常数）和（1）T（总耦合常数）的应用，讨论了在时间或分辨率方面的可能收益。使用新提出的压缩感知（CS）算法进行处理时，光谱的质量可与传统采样的光谱相媲美。
