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関連する概念動画

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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Paramagnetic Relaxation Enhancement for Detecting and Characterizing Self-Associations of Intrinsically Disordered Proteins
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Published on: September 23, 2021

2.0K

パラマグネット性NMRによって探求された領域間ダイナミクス.

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
まとめ
この要約は機械生成です。

この研究では,タンパク質の動態を分析するためのアンサンブル法が導入され,カルモジュリン-IQ複合体の特徴をうまく特徴付けました. このアプローチは,多領域タンパク質の行動を理解するために重要な複数の構成を明らかにします.

さらに関連する動画

Author Spotlight: Exploring Intrinsically Disordered Protein Dynamics Through NMR Relaxation Experiments
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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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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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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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科学分野:

  • 構造生物学 構造生物学とは
  • バイオフィジックス 生物物理学
  • 計算生物学とは,計算生物学である.

背景:

  • マルチドメインタンパク質は,機能に不可欠な複雑なダイナミクスを示します.
  • タンパク質の構成組を理解することは,薬剤発見とタンパク質工学にとって不可欠です.

研究 の 目的:

  • マルチドメインのタンパク質ダイナミクスを特徴付けるためのアンサンブルベースのアプローチを開発し,検証する.
  • カルモジュリン-IQモチーフ複合体の構成的景観を調査する.

主な方法:

  • 分子動力学 (MD) シミュレーションとパラマグネティックデータ (擬似接触シフトと残留二極結合) を組み合わせたアンサンブルベースの戦略を使用しました.
  • N60D変異のカルモジュリンと6つのランタニドイオンを併用して,ドメイン間運動を調査した.
  • 結晶構造と自由なMDシミュレーションから構成のプールを生成.

主要な成果:

  • カルモジュリン-IQ複合体の溶液中の3つの既知の結晶形状と4つの新しいMD由来形状を特定しました.
  • 実験的なパラマグネティックデータに対してアンサンブルを検証し,その正確性を実証しました.
  • アンサンブルアプローチの領域間ダイナミクスを効果的に捉える能力を示しました.

結論:

  • 提示されたアンサンブルアプローチは,多領域タンパク質の動態を説明するための強力で一般化可能なツールです.
  • タンパク質構成組の正確な特徴づけは,生物学的機能を理解するために不可欠です.
  • この方法は,タンパク質のダイナミクスと相互作用に関する将来の研究のための堅固な枠組みを提供します.