15N chemical shift referencing in solid state NMR. Solid State Nucl. Magn. Reson. 61- 62:15-18.BERTANI, P.; RAYA, J.; BECHINGER, B. 15N chemical shift referencing in solid state NMR. Solid State Nuclear Magnetic Resonance, v. 61/62, p. 15-18, 2014....
The15N NMR resonances were assigned by 2D15N-resolved1H experiments, which also allowed the identification of a number of sequential and medium-range1H1H contacts that are obscured by chemical shift degeneracy in homonuclear experiments. The15...
15NNMR化学位移的经验公式:δcal(15N)=-380.2+ΣΔα+ΣΔβ+ΣΔγ+ΣΔδ+Σ犆,结合最小二乘法通过线性回归得到了11种取代基参数,计算结果以133种化合物的133个15NNMR化学位移数据为样本点进行回归检验,置信度为99.5%,约有94.7%的15NNMR化学位移计算值的计算误差小于5.0(相对误差小于0.5%).关键词:15NNMR...
Nitranions and Their Precursors: Charge Density Rearrangements and 15Nitrogen NMR Chemical Shift Changes. J. Am. Chem. Soc. 1992, 114, 8634- 8644. (b) Buttingsrud, B.; Alsberg, B. K.; Astrand, P.-O. An Investigation of Descriptors Based on the Critical Points in the Electron Density...
The15NnitrideNMR spectroscopic data for1*prompted us to computationally model its NMR properties in detail. We used coordinates from geometry optimisation (see Supplementary Table1) at the BP86 level39, noting the computed U ≡ N bond length of 1.7795 Å compares well to the crystallog...
15N NMR spectra showed that there is a substantial chemical shift difference in both the pyridine (50 ppm upfield) and the central 15N (20 ppm upfield) signals after addition of Zn2+ ions (Supplementary Fig. 1). However, the pyridine 15N signals relaxed more rapidly (the T1 was not ...
13 IS Here we report on a C and N NMR study on FMN bound to the apoflavodoxin from Desulfovibrio vulgaris. Results and Discussion 13 15 The C and N chemical shifts of FMN free and bound to D.vulgaris flavo-13 doxin are summarized in Table 1. Figure 1 shows the spectra of some C ...
Herein, we report the complete NMR backbone and side chain assignment (1H, 13C, 15N) of hPARP14 MD2 in the free and ADPr bound states and the NMR chemical shift-based prediction of its secondary structure elements. This is the first reported NMR study of a hPARP macro domain, paving ...
Design of a hyperpolarized 15N NMR probe that induces a large chemical-shift change upon binding of calcium ions. Chem. Commun. 51, 12290–12292 (2015). 28. Wilson, D. M. et al. Generation of hyperpolarized substrates by secondary labeling with [1,1-13C] acetic anhydride. Proc. Natl. ...
Backbone and side chain (1)H, (15)N and (13)C chemical shift assignments of the molten globule state of L94G mutant of horse cytochrome-c. Biomol. NMR Assign https://doi.org/10.1007/s12104-019-09917-7 (2019). Article PubMed Google Scholar Patel, C. N., Lind, M. C. & Pielak...