The HSQC (Heteronuclear Single Quantum Coherence) experiment is used to determine proton-carbon single bond correlations, where the protons lie along the observed F2 (X) axis and the carbons are along the F1 (Y) axis.

The HSQC provides the correlation between the nitrogen and amide proton, and each amide yields a peak in the HSQC spectra. Each residue (except proline) therefore can produce an observable peak in the spectra, although in practice not all the peaks are always seen due to a number of factors.

2023年2月11日 · In an HSQC spectrum, a 13 C or heteroatom spectrum is displayed on one axis and a 1 H spectrum is displayed on the other axis. Cross-peaks show which proton is attached to which carbon or heteroatom. The purpose of a HSQC is to determine which protons are coupled to what other specific carbon or heteroatom in the molecule through bonds.

2025年2月20日 · Evaluation on 479 expert-annotated HSQC spectra demonstrates our model’s superiority over traditional methods (ChemDraw and Mestrenova), achieving Mean Absolute Errors (MAEs) of 2.05 ppm and...

Heteronuclear Single Quantum Coherence (HSQC) is a technique used in NMR spectroscopy to simultaneously record 1H and 13C chemical shifts by coupling 1H nuclei with other NMR-active nuclei directly bonded to them, providing structural information in complex mixtures.

2023年1月1日 · In this chapter, we highlight the potential of a class of methods called intrinsically quantitative 2D HSQC. They are generated by designing pulse sequences able for each correlation peak to maintain constant or to compensate JHH, JCH, off resonances and T2 effects responsible for the degradation of the quantitativity.

2022年6月7日 · COLMARq allows for upload of cohorts of HSQC and TOCSY spectra, automated peak picking, peak fitting for quantification, peak matching between spectra, data normalization via ratio analysis, database query for metabolite identification, and peak- and compound-based uni- and multi-variate statistical analyses.

HSQC - Heteronuclear Multiple Quantum Correlation. This 2D experiment correlates the chemical shift of proton with the chemical shift of the directly bonded carbon. On the bottom axis is a proton spectrum and on the other is a carbon. Cross peaks give …

2014年12月16日 · Peak alignment tools like icoshift adapted to HSQC-spectra might remedy this. However, our results show that small deviation of chemical shifts is tolerable and the robustness of the method is demonstrated by using non-peak aligned spectra.

2024年11月18日 · Heteronuclear single quantum coherence (HSQC) is a 2D NMR method that integrates the sensitivity of 1 H and the resolution of 13 C by extending 1D 1 H NMR signals to 2D 1 H-13 C HSQC cross peaks along the 13 C dimension, offering an excellent solution to the peak overlaps and allowing the dispersed peak intensities to be determined accurately ...