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相关概念视频

Atomic Nuclei: Magnetic Resonance01:05

Atomic Nuclei: Magnetic Resonance

1.3K
The number of nuclear spins aligned in the lower energy state is slightly greater than those in the higher energy state. In the presence of an external magnetic field, as the spins precess at the Larmor frequency, the excess population results in a net magnetization oriented along the z axis. When a pulse or a short burst of radio waves at the Larmor frequency is applied along the x axis, the coupling of frequencies causes resonance and flips the nuclear spins of the excess population from the...
1.3K
NMR Spectroscopy: Spin–Spin Coupling01:08

NMR Spectroscopy: Spin–Spin Coupling

3.5K
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...
3.5K
¹H NMR: Interpreting Distorted and Overlapping Signals01:02

¹H NMR: Interpreting Distorted and Overlapping Signals

1.3K
Spin systems where the difference in chemical shifts of the coupled nuclei is greater than ten times J are called first-order spin systems. These nuclei are weakly coupled, and their chemical shifts and coupling constant can generally be estimated from the well-separated signals in the spectrum.
As Δν decreases and the signals move closer, the doublets appear increasingly distorted. The intensities of the inner lines increase at the cost of those of the outer lines as the signals are...
1.3K
Atomic Nuclei: Nuclear Relaxation Processes01:23

Atomic Nuclei: Nuclear Relaxation Processes

1.1K
In the absence of an external magnetic field, nuclear spin states are degenerate and randomly oriented. When a magnetic field is applied, the spins begin to precess and orient themselves along (lower energy) or against (higher energy) the direction of the field. At equilibrium, a slight excess population of spins exists in the lower energy state. Because the direction of the magnetic field is fixed as the z-axis,  the precessing magnetic moments are randomly oriented around the z-axis.
1.1K
Two-Dimensional (2D) NMR: Overview01:12

Two-Dimensional (2D) NMR: Overview

1.6K
The 1D NMR spectrum of large and complex molecules like natural products has complicated splitting patterns and overlapping signals, which can be easily interpreted using 2-dimensional (2D) NMR. Unlike 1D NMR, 2D NMR has two frequency axes that provide the coupling information between the nucleus A and nucleus B in a molecule. The process from which 2D spectra are obtained has four steps.
The first step is the preparation period, during which nucleus A is excited with a radiofrequency pulse....
1.6K
Paramagnetism01:30

Paramagnetism

2.4K
Paramagnets are materials with unpaired electrons that possess a finite magnetic moment. In the absence of a magnetic field, these moments are randomly oriented, and thus the net moment is zero. Under an external field, a torque acting on the moments tends to align them along the field's direction. However, the random thermal motion of electrons produces a torque opposite to the external field and tries to disorient the moments. These two competing effects align only a few moments along the...
2.4K

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Updated: May 7, 2026

Paramagnetic Relaxation Enhancement for Detecting and Characterizing Self-Associations of Intrinsically Disordered Proteins
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Paramagnetic Relaxation Enhancement for Detecting and Characterizing Self-Associations of Intrinsically Disordered Proteins

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通过偏磁性NMR探索的域间动态.

Luigi Russo1, Mitcheell Maestre-Martinez, Sebastian Wolff

  • 1NMR Based Structural Biology, Max Planck Institute for Biophysical Chemistry , Am Fassberg 11 37077 Göttingen, Germany.

Journal of the American Chemical Society
|October 12, 2013
PubMed
概括
此摘要是机器生成的。

这项研究引入了一种集体方法来分析蛋白质动态,成功地表征了calmodulin-IQ复合体. 这种方法揭示了对理解多域蛋白质行为至关重要的多重构造.

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Spin Saturation Transfer Difference NMR SSTD NMR: A New Tool to Obtain Kinetic Parameters of Chemical Exchange Processes
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Author Spotlight: Exploring Intrinsically Disordered Protein Dynamics Through NMR Relaxation Experiments
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Spin Saturation Transfer Difference NMR SSTD NMR: A New Tool to Obtain Kinetic Parameters of Chemical Exchange Processes
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科学领域:

  • 结构生物学是结构生物学.
  • 生物物理学的生物物理.
  • 计算生物学是一种计算生物学.

背景情况:

  • 多域蛋白质表现出复杂的动态,对其功能至关重要.
  • 了解蛋白质结构组合对于药物发现和蛋白质工程至关重要.

研究的目的:

  • 开发和验证一种基于集合的方法来表征多域蛋白质动态.
  • 为了研究calmodulin-IQ图案复合物的构造景观.

主要方法:

  • 采用了基于集体的策略,将分子动力学 (MD) 模拟与偏磁数据 (伪接触移位和残留二极合) 结合起来.
  • 采用N60D突变卡尔莫杜林与六个类离子来探测域间运动.
  • 从晶体结构和自由的MD模拟生成的构造池.

主要成果:

  • 确定了三种已知的晶体构造和四种新的MD衍生构造,用于calmodulin-IQ复合物的溶液中.
  • 与实验性偏磁数据对整体进行了验证,证明了其准确性.
  • 展示了整体方法能够有效地捕捉域间动态的能力.

结论:

  • 提出的整体方法是描述多域蛋白质动态的强大和可概括的工具.
  • 精确的蛋白质构成组合的表征对于理解生物功能至关重要.
  • 这种方法为未来关于蛋白质动态和相互作用的研究提供了坚实的框架.