Heteronuclear correlation spectrum

Davis AL, Keeler J, Laue ED, Moskau D. Experiments for recording pure-absorption heteronuclear correlation spectra using pulsed field gradients. J. Magn. Reson. 1992 98 207-216. 

Figure 7 Heteronuclear correlation spectra (1H-15N HSQC at 500 MHz) of D. melanogaster dUTPase without substrate (A) and with a,p-imino-dUTP. The indicated peaks that change their internal dynamics and diminish, Glyl49-Thrl56 of the C-terminus, are those involved in substrate binding.

Damberg ChS, Orekhov VY, Billeter M (2002) Automated analysis of large sets of heteronuclear correlation spectra in NMR-based drug discovery. J Med Chem 45 5649-5654... 

Akoka have also adopted this technique to produce an artificial reference cross peak in 2D homonuclear and heteronuclear correlation spectra. This approach shows potential as a universal reference in quantification. 

P-24 - Measurement of MQMAS heteronuclear correlation spectra in microporous aluminophosphates... 

Schanda P, Kupce E, Brutscher B (2005) SOFAST-HMQC experiments for recording two-dimensional heteronuclear correlation spectra of proteins within a few seconds. J Biomol NMR 33(4) 199-211... 

Small scalar /-couplings between quadrupolar nuclei and spin-1/2 have been measured in inorganic solids using /-Resolved experiments. These were further used to acquire 2D /-HMQC heteronuclear correlation spectra, giving detailed insight into the chemical bonding scheme in the solid state. ... 

Figures 4 and 5 present the heteronuclear correlation spectra for the diblock PCL-PS ICs with a- and y-CD, respectively, where it is apparent that the PS protons are not in close proximity to the host protons of a- or y-CDs. This clearly confirms that the PS blocks are excluded from the CD channels. At the same time, however, the PCL and CD protons are proximal, and at Xm = 10 ms nearly identical proton resonance frequencies are observed for both guest PCL blocks and host CDs due to spin diffusion between their nearby protons. Also note that the aliphatic backbone carbons (g) at -40 ppm show correlation to both the aliphatic and aromatic protons (h), which is possibly due to crosspolarization of the methine carbon by the ortho protons. There is clearly spin-diffusion between PS protons, but not between PS protons and the PCL or CD protons.

Thus, by a combination of H— H COSY and H—heteronuclear correlation spectra, all and H peaks can be unambiguously assigned to their respective carbon and hydrogen atoms in 1-chloro-2-propanol. In this simple example using l-chloro-2-propanol, we could have arrived at complete assignment of these spectra without COSY and heteronuclear correlation data. For many compounds, however, the assignments are quite difficult to make without the aid of these 2D NMR techniques. 

Gu, Z., Ridenour, C.F., Bronnimann, C.E., Iwashita, T., and McDermott, A. 1996. Hydrogen bonding and distance studies of amino acids and peptides using sohd state 2D H- C heteronuclear correlation spectra. J.Am. Chem.Soc. 118 822-829. 

P heteronuclear correlation spectra with isotropic resolution. The proposed experiment, MQ-/-HETCOR, uses MQ MAS NMR for elimination of the second-order quadrupolar broadening and INEPT, INEPTR, INEPT+ and DEPT sequences for the polarisation transfer. The experimental conditions leading to best sensitivity and resolution are detailed using AIPO4-I4 as a test sample. 

Another simple and general solution to obtain heteronuclear correlation spectra that yield truly pure absorption fine shapes and IP multiplet structures for all available cross-peaks with respect to both J(CH) and aU passiveJ(HH) coupling constants along the detected dimension is the so-called Pure In-Phase HSQC (PIP-HSQC) experiment [111]. The key point is an appended adiabatic zero-quantum filter (ZQF) [112] applied just before a refocusing gradient perfect-echo element and the acquisition. Thus, after the 90°j,( H) pulse (point b in Fig. 8C) the above four components derived from Eq. (2) are converted to... 

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