
Heteronuclear single quantum coherence spectroscopy - Wikipedia
The heteronuclear single quantum coherence or heteronuclear single quantum correlation experiment, normally abbreviated as HSQC, is used frequently in NMR spectroscopy of organic molecules and is of particular significance in the field of protein NMR. The experiment was first described by Geoffrey Bodenhausen and D. J. Ruben in 1980. [1]
利用1H-15N-HSQC二维谱确定蛋白质和配体的相互作用界面
1H-15N HSQC原理介绍:1H-15N HSQC谱,全称为1H-15N 异核单量子相干谱(1H-15N Heteronuclear Single Quantum Coherence spectroscopy),是生物核磁研究中最基础也是最常用的一个二维谱。图四所示是1H-15N HSQC核磁脉冲序列:
有机化合物核磁共振(NMR)谱图解析 - 知乎 - 知乎专栏
HSQC谱可联系相隔1个共价键的氢核和碳核,如-CH-。 如下图,当知道某氢核的谱峰位置,顺藤摸瓜,通过QC谱图,找到相对应的碳核信号。 如遇像-CH2-这两个氢非化学等价的情况,那么一个碳信号就会对应两个氢信号,此时,且位于两个氢信号的中间位置。 一维氢谱和碳谱描述了单个原子信息,2D NMR中的1H-1H COSY和HSQC,组合了相近原子间的信息,通过以上方式,我们仅知道分子的片段信息,只有再把片段与片段信息组合起来,我们才可知道整个分子的信息。 …
Protein Labeling and Structure Determination by NMR Spectroscopy …
2021年8月26日 · Depending on the pH and temperature of the sample, peaks may be observed from the side-chains NH groups of Arg, His, and Lys. Specifically tailored [15 N-1 H] HSQC for observing the NH groups are also available. Hence, this HSQC spectrum is very helpful for initial quality assessment of the protein.
原 】 有机基础知识---二维核磁谱(2D-NMR) - 360doc
2024年5月22日 · HSQC :异核单量子关系 (heteronuclear singular quantum correlation , HSQC), 隶属于 NMR (核磁共振) C-H COSY 谱图中的一种。 HSQC 与 HMQC 的谱图相同,都是显示 1 H 核和与其直接相连的 13 C 核的相关峰,其作用相应于 C,H-COSY 谱。
2D HSQC - NMR Wiki
2010年7月2日 · 2D HSQC (Heteronuclear Single Quantum Coherence) experiment correlates chemical shifts of directly bound nuclei (i.e. two types of chemical nuclei). For example 1 H, 15 N-HSQC correlates chemical shifts within NH groups. For similar correlations over multiple bonds 2D HMBC experiment can be used.
Solution Structure and NMR Chemical Shift Perturbations of the ...
1 天前 · The sidechain assignments were achieved using 3D-C (CO)NH, H (CCO)NH, and HBHA (CO)NH and further by using [13 C, 1 H] HSQC and HCCH-TOCSY. CS-Rosetta was used to determine the chemical shift values to select the fragments from Protein Data Bank (PDB) in combination with the Rosetta Monte Carlo assembly and relaxation methods (Shen et al. 2008 ...
UPLC-Q-TOF–MS/MS and NMR studies for the structural
2025年3月14日 · Both -NH and -NH 2 are assigned using 15 N-HSQC spectrum (Fig. S4 a and b). Contour peaks positioned at δ 125.6, 7.446 ppm and 110.9, 6.779 ppm chemical shifts (15 N, 1 H) in 15 N HSQC spectrum are assigned to –NH 2 and -NH groups respectively. Similarly, all the 1 H and 13 C one bond correlations are assigned using 13 C-HSQC spectrum (Fig. 4).
多糖结构解析之核磁二维HSQC谱图 - 知乎 - 知乎专栏
多糖的结构解析中,hsqc二维核磁是开展糖苷键连接确认的基础谱图。从有机物的hsqc解谱而言,代表的相连接的c-h相关,比如乙醇ch3-ch2-oh,其hsqc谱图中,甲基的质子和甲基碳有相交叉的信号,而亚甲基质子和亚甲基…
Protein Studies by High Pressure NMR | SpringerLink
2025年3月15日 · 1 H/ 15 N HSQC spectra of apo-myoglobin at various pressures from 3 to 300 MPa at 35 °C, adopted from Fig. 1.2 of Ref. ... The filled columns are for the 28 NH protons hydrogen-bonded to carbonyls, the cross-hatched columns for the 4 NH protons hydrogen-bonded to internal water molecules which can be identified with X-ray diffraction, and the ...