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相关概念视频

¹H NMR: Interpreting Distorted and Overlapping Signals01:02

¹H NMR: Interpreting Distorted and Overlapping Signals

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 slanted or...
¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR01:15

¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR

The axial and equatorial protons in cyclohexane can be distinguished by performing a variable-temperature NMR experiment. In this process, except for one proton, the remaining eleven protons are replaced by deuterium. The deuterium substitution avoids the possible peak splitting caused by the spin-spin coupling between the adjacent protons. The remaining proton flips between the axial and equatorial positions.
¹³C NMR: ¹H–¹³C Decoupling01:04

¹³C NMR: ¹H–¹³C Decoupling

The probability of having two carbon-13 atoms next to each other is negligible because of the low natural abundance of carbon-13. Consequently, peak splitting due to carbon-carbon spin-spin coupling is not observed in spectra. However, protons up to three sigma bonds away split the carbon signal according to the n+1 rule, resulting in complicated spectra.
A broadband decoupling technique is used to simplify these complex, sometimes overlapping, signals. Broadband decoupling relies on a...
Insensitive Nuclei Enhanced by Polarization Transfer (INEPT)01:15

Insensitive Nuclei Enhanced by Polarization Transfer (INEPT)

Insensitive Nuclei Enhanced by Polarization Transfer (INEPT) is an advanced Nuclear Magnetic Resonance (NMR) technique specifically designed to detect and enhance the signals of low-abundance nuclei, such as carbon-13 and nitrogen-15, in small molecules. The fundamental principle behind INEPT is the transfer of polarization from a more abundant and highly polarizable nucleus, typically hydrogen-1, to the low-abundance nucleus of interest. This process effectively boosts the NMR signal of the...
Double Resonance Techniques: Overview01:12

Double Resonance Techniques: Overview

Double resonance techniques in Nuclear Magnetic Resonance (NMR) spectroscopy involve the simultaneous application of two different frequencies or radiofrequency pulses to manipulate and observe two distinct nuclear spins. One important application of double resonance is spin decoupling, which selectively suppresses coupling with one type of nucleus while observing the NMR signal from another nucleus, simplifying the spectrum and enhancing resolution.
Spin decoupling is usually achieved by...
2D NMR: Overview of Heteronuclear Correlation Techniques01:18

2D NMR: Overview of Heteronuclear Correlation Techniques

Heteronuclear correlation spectroscopy is an analytical technique that investigates the coupling between different types of nuclei, often a proton and an X-nucleus, such as carbon-13 or nitrogen-15. This method is commonly used in nuclear magnetic resonance (NMR) spectroscopy to gain insights into complex chemical compounds' structural and compositional aspects. A typical heteronuclear correlation spectrum displays X-nucleus chemical shifts on one axis and a proton spectrum on the other axis.

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相关实验视频

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NMR-Based Fragment Screening in a Minimum Sample but Maximum Automation Mode
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Published on: June 4, 2021

基于高通量NMR的选与竞争约束实验.

Claudio Dalvit1, Maria Flocco, Stefan Knapp

  • 1Chemistry Department, Pharmacia, Viale Pasteur 10, 20014 Nerviano (MI), Milan, Italy. claudio.dalvit@pharmacia.com

Journal of the American Chemical Society
|June 27, 2002
PubMed
概括
此摘要是机器生成的。

这项研究引入了一种用于高通量查的新型NMR光谱法,克服了检测高亲和率和共联体的局限性. 该技术增强了化合物多样性,并使数千个分子的快速选成为可能.

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科学领域:

  • 生物化学 生物化学
  • 化学生物学 化学生物学
  • 结构生物学 结构生物学

背景情况:

  • 基于干的NMR查与高亲和度和共结合分子作斗争.
  • 有限的检测范围限制了通过NMR选的化合物的多样性.

研究的目的:

  • 开发一种用于高通量查的新型NMR光谱方法.
  • 克服现有的NMR查方法对连接体和分子检测的局限性.
  • 扩大适用于NMR查的化合物范围,包括具有低溶解度的化合物.

主要方法:

  • 使用横向和/或选择性的纵向放松参数.
  • 包括竞争约束实验.
  • 导出用于实验设置和约束常数近似的数学表达式.

主要成果:

  • 成功开发了一种新的NMR查方法.
  • 克服了检测高亲和度和性结合联体的局限性.
  • 能够检测到边缘溶解的化合物,增加选的化合物多样性.
  • 允许对数千种化合物进行针对生物标的快速选.
  • 证明了对选植物和真菌提取物的适用性.

结论:

  • 新的NMR查方法显著提升了高通量查能力.
  • 这种技术扩大了基于NMR的药物发现和天然产品查的范围.
  • 这种方法为识别新联体和生物活性化合物提供了一个更全面,更有效的平台.