Heteronuclear single-quantum correlation

Conformations of mycothiol bimane (MSmB) were studied by H and 13C NMR using rotational nuclear Overhauser effect spectroscopy (ROESY) and heteronuclear single quantum correlation (HSQC) methods with expansions of the anomeric region <2003JOC3380>. NMR characterization of iV-acetyl-L-(Y)-cysteinyl monobimane and peracetylated MSmB was also published (Section 12.10.15.4) <2002JA3492>. 

No general studies have been carried out for these compounds, but there are several reports in which the stereochemistry of the final product has been elucidated by NOESY, correlation spectroscopy (COSY), or heteronuclear single quantum correlation (HSQC) experiments. For example, intensive NOESY experiments were used to establish the exact nature of each of the three cycloadducts 151a-c generated by the cycloaddition of a substituted nitrone to dimethyl (Z)-diethylenedicarboxylate <2000EJ03633>. 

A sequence suitable for measurement of J(H, P) and J(C, P) couplings is shown in Fig. 7.9a. The pulse sequence is a constant-time [13C, H]-HSQC (heteronuclear single-quantum correlation), in which 31P decoupling is applied in ot, in the first experiment and in co2 in the second. 

Furthermore, the allohimachalane (see Section 13.11.9.1) <1999T14623> as well as boletunones A and B, highly functionalized sesquiterpenes from the fruit body of the mushroom Boletus calopus <20040L823>, have been characterized by 2D-NMR (heteronuclear single quantum correlation (HSQC), HMBC, and 111-COSY). The structure of a drimen-ll,12-acetonide, isolated from Maya s herb, was deduced by means of 111 and 13C NMR, distortionless enhancement by polarization transfer (DEPT), COSY, NOESY, HSQC, and HMBC analyses <2005MRC339>. 

The change in the chemical environment of a nucleus at the binding interface of a ligand-protein complex upon binding is likely to induce a change in chemical shift. This effect is used for example as a readout in the SAR by NMR approach to detect binding and thus identify lead molecules (33). Heteronuclear chemical shifts (particularly 13C and 15N) are widely used in such experiments and are detected via HSQC-type (heteronuclear single quantum correlation) experiments. 

Introducing a heteronuclear dimension reduces the signal overlap by using the additional chemical shift dispersion of the heteronuclei and facilitates assignment of biomolecules. The Heteronuclear Single Quantum Correlation (HSQC) experiment yields a spectmm that correlates the chemical shift of a spin with that of a covalently bound or spin (55). In a HSQC spectrum, every peak represents the correlation of an amide bond, which shows correlations... 

A simple way of illustrating multidimensional NMR is through reference to hetero-nuclear correlation spectroscopy, in which two or more separate frequency dimensions are correlated with one another. For example, a particularly valuable 2D experiment is heteronuclear single quantum correlation (HSQC) spectroscopy, in which the resultant spectrum has two frequency axes, corresponding to and frequency dimensions, and one intensity axis. Analogous HSQC... 

Figure 2. Heteronuclear Single Quantum Correlation Spectra of I N-rCRALBP with and without 11-c/s-retinaldehyde. Results are shown from a gradient-enhanced sensitivity-enhanced heteronuclear single quantum correlation (GESE-HSQC) NMR experiment. The experiment correlates directly bonded pairs in rCRALBP. The correlation map for rCRALBP (29 mg/ml) with bound 11-c/s-retinaidehyde (heavy lines)...

Fourier transform or transformation heteronuclear chemical-shift correlation heteronuclear multiple bond correlation heteronuclear multiple quantum correlation heteronuclear single quantum correlation... 

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