Pure Shift NMR Service

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Nuclear magnetic resonance (NMR), with its radiation-free, non-invasive, high-resolution, and information-rich features, is one of the most powerful and versatile tools for studying the structure, dynamics, and interactions of molecules in solution. The analysis of spectral parameters, such as chemical shifts and coupling constants, is essential to extract valuable structural information. However, in the presence of many signals in a narrow spectral range, the multi-state structure due to coupling between spins severely complicates the NMR spectrum, increasing signal overlap and hindering the extraction of this information.

Pure shift NMR techniques can significantly improve the resolution of NMR overlap spectra by suppressing the effects of homocoupling, allowing multiple peaks to be collapsed into a single peak, leaving a single peak for each chemically distinct site.

Figure 1. (a) Conventional and (b) pure shift ¹H NMR spectra of the macrolide antibiotic clarithromycin showing the improvement in resolution achieved by interferogram-based broadband homodecoupling using Zangger–Sterk J-refocusing. (Adams, R. W., 2014)

Creative Biostructure provides pure shift NMR spectroscopy service to improve NMR overlap spectral resolution and simplify the spectral analysis, reducing the difficulty of spectral resolution. It has been successfully applied to our one- and multi-dimensional NMR experimental projects. This allows our customers to obtain high sensitivity, high-quality broadband homo-decoupling spectra with comparable time to conventional NMR experiments.

Technical Advantages

Significantly improve the resolution of ¹H NMR spectra
Obtain high-resolution decoupling spectra
Can be applied to weakly coupled systems

Applications

Simplify hydrogen spectra. It can be used when the 1D hydrogen spectra of samples (e.g., polysaccharides, complexes, liposomes, aromatic chemicals, oligomers, reaction mixtures, etc.) are too complex and give ambiguous results. Also, when 2D experiments are unidentifiable due to signal overlap, pure shift NMR can be used to simplify the spectra for signal attribution and quantitative analysis.
Metabolomics or natural product crude extract studies. The increase in detection sensitivity raises the minimum limit of detection, making the spectral overlap caused by chemical noise and low concentrations of metabolites more prominent. We offer pure shift NMR to solve this signal overlap problem more effectively.
Diffusion sequence spectra with diffusion coefficient determination. Pure shift NMR can overcome the signal overlap problem in diffusion sequence spectra by broadband homo-decoupling and eliminating scalar coupling, thus facilitating the extraction of diffusion coefficients for each component or the accurate identification of signals for each component.

Creative Biostructure provides pure shift NMR service to help our customers obtain high sensitivity, high-quality broadband homodecoupling spectra. If you are interested in our services or have any questions, please feel free to contact us for a satisfactory answer.

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