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相关概念视频

NMR Spectrometers: Overview01:20

NMR Spectrometers: Overview

1.0K
NMR spectrometers consist of a strong magnet, a radiofrequency transmitter, and a detector attached to a computer console for recording spectra of samples containing NMR-active nuclei. In first-generation NMR instruments called continuous-wave spectrometers, the resonance frequencies of the nuclei are determined by frequency-sweep or field-sweep methods. The magnetic field strength is fixed and the rf signal is swept in the former, while the radiofrequency signal is fixed and the magnetic field...
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NMR Spectrometers: Resolution and Error Correction01:14

NMR Spectrometers: Resolution and Error Correction

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When magnetic nuclei in a sample achieve resonance and undergo relaxation, the signal detected in NMR is an approximately exponential free induction decay. Fourier transform of an exponential decay yields a Lorentzian peak in the frequency domain. Lorentzian peaks in an NMR spectrum are defined by their amplitude, full width at half maximum, and position, where the peak width is governed by the spin-spin relaxation time alone. In real experiments, however, the applied magnetic field is rendered...
658
¹H NMR: Interpreting Distorted and Overlapping Signals01:02

¹H NMR: Interpreting Distorted and Overlapping Signals

1.0K
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...
1.0K
2D NMR: Overview of Homonuclear Correlation Techniques01:16

2D NMR: Overview of Homonuclear Correlation Techniques

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Homonuclear correlation spectroscopy (COSY) is a powerful technique used in Nuclear Magnetic Resonance (NMR) spectroscopy to study the correlations between nuclei of the same type within a molecule. It provides information about scalar couplings between adjacent nuclei, which helps determine connectivity and structural information. There are several COSY variants, each with its unique strengths and experimental parameters.
COSY90 is the standard two-dimensional (2D) COSY experiment that...
166
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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Chemical Shift: Internal References and Solvent Effects01:17

Chemical Shift: Internal References and Solvent Effects

599
In an NMR sample, precise measurement of the absolute absorption frequencies of nuclei is difficult. A standard internal reference compound is added, and the frequency difference between the reference signal and sample signals is measured.
The internal reference compound generally used in NMR spectroscopy is tetramethylsilane (TMS). TMS is preferred because it is chemically inert, soluble in NMR solvents, and easily removable. Also, the highly shielded methyl protons in TMS yield an intense...
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OPTO:固态NMR光谱的自动化优化

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通过自动化参数优化,OPTO软件简化了固态NMR实验. 这提高了研究复杂生物和物质系统的数据质量和可访问性.

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科学领域:

  • 固态核磁共振 (SSNMR) 光谱
  • 生物物理化学
  • 材料科学

背景情况:

  • 提供对生物和物质系统的独特洞察力.
  • 复杂的多维脉冲序列对于大型生物分子的定位测量至关重要.
  • 获得可复制,高质量的SSNMR数据是由于广泛的用户培训和困难的参数优化而具有挑战性.

研究的目的:

  • 一个旨在克服SSNMR挑战的软件操作环境.
  • 提高常用的SSNMR实验的性能和可访问性.
  • 能够对实验条件进行可靠的优化并提高数据质量.

主要方法:

  • 开发了一个具有图形用户界面的软件环境OPTO.
  • 集成优化算法 (简单,网格搜索) 用于自动化参数调整.
  • 与Varian OpenVnmrJ和Bruker Topspin软件平台的兼容性
  • 对闪,交叉极化和其他实验参数进行自动化优化的演示.

主要成果:

  • 通过21个闪参数的自动化全球搜索, 实现了10亿分之12的线宽, 提高分辨率.
  • 在三重共振实验中通过优化交叉偏振条件的16个参数来提高灵敏度.
  • 使用蛋白质样本证明了多种光谱仪,磁场强度和神奇角度旋转率的稳定性和可重复性.

结论:

  • 该软件有效地解决了SSNMR数据采集和分析的瓶.
  • 该软件利用仪器时间,使操作人员能够可靠地找到最佳的实验条件.
  • OPTO促进了高质量,可重复的SSNMR数据的生成,促进了生物分子结构,动态和功能的研究.