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NMR Spectroscopy: Spin–Spin Coupling01:08

NMR Spectroscopy: Spin–Spin Coupling

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The spin state of an NMR-active nucleus can have a slight effect on its immediate electronic environment. This effect propagates through the intervening bonds and affects the electronic environments of NMR-active nuclei up to three bonds away; occasionally, even farther. This phenomenon is called spin–spin coupling or J-coupling. Coupling interactions are mutual and result in small changes in the absorption frequencies of both nuclei involved. While nuclei of the same element are involved...
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Structures of Solids02:22

Structures of Solids

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Solids in which the atoms, ions, or molecules are arranged in a definite repeating pattern are known as crystalline solids. Metals and ionic compounds typically form ordered, crystalline solids. A crystalline solid has a precise melting temperature because each atom or molecule of the same type is held in place with the same forces or energy. Amorphous solids or non-crystalline solids (or, sometimes, glasses) which lack an ordered internal structure and are randomly arranged. Substances that...
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NMR Spectroscopy Of Amines01:19

NMR Spectroscopy Of Amines

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In proton NMR spectroscopy, primary amines and secondary amines showcase their N–H protons as a broad signal in the chemical shift range between δ 0.5 and 5 ppm. The exact position in this range depends on several factors, including sample concentration, hydrogen bonding, and the type of solvent used. Since amine protons undergo fast proton exchange in solution, the protons are labile and therefore do not participate in any splitting with adjacent protons. Thus, the observed peak is...
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NMR Spectroscopy of Aromatic Compounds01:14

NMR Spectroscopy of Aromatic Compounds

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Aromatic compounds can be identified or analyzed using proton NMR and carbon‐13 NMR. Typically, aromatic hydrogens or hydrogens directly bonded to the aromatic rings are strongly deshielded by the aromatic ring current. Therefore, they absorb in the range of 6.5–8.0 ppm in proton NMR spectra. For instance, aromatic hydrogens directly bonded to the benzene ring absorb at 7.3 ppm. However, aromatic hydrogens of larger rings absorb farther upfield or downfield than the ideal range.
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NMR Spectroscopy of Benzene Derivatives01:34

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Simple unsubstituted benzene has six aromatic protons, all chemically equivalent. Therefore, benzene exhibits only a singlet peak at δ 7.3 ppm in the 1H NMR spectrum. The observed shift is far downfield because the aromatic ring current strongly deshields the protons. Any substitution on the benzene ring makes the aromatic protons nonequivalent, and the protons split each other. The peak is, therefore, no longer a singlet and the splitting pattern and their associated coupling...
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Proteins are one of the most abundant organic molecules in living systems and have the most diverse range of functions of all macromolecules. Proteins may be structural, regulatory, contractile, or protective. They may serve in transport, storage, or membranes; or they may be toxins or enzymes. Their structures, like their functions, vary greatly. They are all, however, amino acid polymers arranged in a linear sequence.
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Updated: Jan 22, 2026

Study of Protein Dynamics via Neutron Spin Echo Spectroscopy
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从13C自旋扩散固态NMR光谱法中确定蛋白质结构.

Theofanis Manolikas1, Torsten Herrmann, Beat H Meier

  • 1Physical Chemistry, ETH Zurich, CH-8093 Zurich, Switzerland.

Journal of the American Chemical Society
|March 7, 2008
PubMed
概括
此摘要是机器生成的。

由质子驱动的13C旋转扩散 (PDSD) NMR以原子分辨率确定蛋白质结构. 这种强大的方法使用微晶样本中交叉峰强度的核间距离信息.

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Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
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科学领域:

  • 生物物理化学 生物物理化学
  • 结构生物学 结构生物学
  • 核磁共振光谱学 核磁共振光谱学

背景情况:

  • 质子驱动的13C旋转扩散 (PDSD) 是一种2DNMR技术.
  • PDSD产生高信号对噪声光谱,具有核间距离信息.

研究的目的:

  • 用PDSD证明原子分辨率蛋白质结构的确定.
  • 为了研究交叉峰强度和核间距离之间的关系.

主要方法:

  • 使用了一种标有13C,15N标签的微晶蛋白样本 (ubiquitin).
  • 采用手动结构确定,然后进行自动化优化.
  • 采用完全自动化的结构确定方法.

主要成果:

  • 实现了无处不在的原子分辨率结构确定.
  • 展示了PDSD信息内容对于结构分析的充分性.
  • 研究了光谱交叉峰强度和核间距离之间的相关性.

结论:

  • PDSD是一种强大而通用的NMR实验,用于阐明蛋白质结构.
  • 该方法可以从单个微晶样本进行结构确定.
  • 进一步了解距离强度相关性可以完善结构分析.