Scholarlink

<p>We address the demanding J-spectroscopy part of nuclear magnetic resonance (NMR) for encoded time signals. In the fast Fourier transform (FFT), the J-coupled multiplets are mostly unresolved even with strong magnetic fields (e.g. 600 MHz, 14.1T). The problem is further exacerbated by minuscule chemical shift bands hosting such multiplets. Derivative estimations might be tried as an alternative strategy. However, too tightly overlapped resonances require higher-order derivative estimations. These, in turn, uncontrollably enhance the reconstruction instabilities. Hence, a robust optimizing stabilizer is needed. It is provided by the optimized derivative fast Fourier transform, which simultaneously increases resolution and reduces noise. We presently demonstrate that higher-orders (up to 15) of this processor can accurately resolve the J-coupled multiplets into their genuine components hidden within the singlet-appearing resonances in the FFT spectra. This is exemplified with the challenging two triplets (taurine, myo-inositol lying within only 0.02 ppm) for time signals encoded by ovarian NMR spectroscopy from a patient’s excised cancerous cyst fluid specimen.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Optimized derivative fast Fourier transform: Splitting singlet-appearing resonances to genuine multiplets in ovarian NMR spectra from encoded time signals

  • 期刊论文

  • 出版模式：

    开放获取

  • 发表日期：

    2025年2月14日

查看全文
  • Dževad Belkić,
  • Karen Belkić

摘要

We address the demanding J-spectroscopy part of nuclear magnetic resonance (NMR) for encoded time signals. In the fast Fourier transform (FFT), the J-coupled multiplets are mostly unresolved even with strong magnetic fields (e.g. 600 MHz, 14.1T). The problem is further exacerbated by minuscule chemical shift bands hosting such multiplets. Derivative estimations might be tried as an alternative strategy. However, too tightly overlapped resonances require higher-order derivative estimations. These, in turn, uncontrollably enhance the reconstruction instabilities. Hence, a robust optimizing stabilizer is needed. It is provided by the optimized derivative fast Fourier transform, which simultaneously increases resolution and reduces noise. We presently demonstrate that higher-orders (up to 15) of this processor can accurately resolve the J-coupled multiplets into their genuine components hidden within the singlet-appearing resonances in the FFT spectra. This is exemplified with the challenging two triplets (taurine, myo-inositol lying within only 0.02 ppm) for time signals encoded by ovarian NMR spectroscopy from a patient’s excised cancerous cyst fluid specimen.