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相关概念视频

Nuclear Magnetic Resonance (NMR): Overview01:07

Nuclear Magnetic Resonance (NMR): Overview

2.5K
Nuclear magnetic resonance (NMR) is a phenomenon exhibited by certain nuclei that can absorb characteristic radio frequency radiation under certain conditions. NMR has been extensively applied in molecular spectroscopy and medical diagnostic imaging. In both these applications, the molecule or subject under study is placed in a magnetic field and irradiated with radio frequency energy.
NMR spectroscopy generates a spectrum where the characteristic absorption frequencies of the sample are...
2.5K
Two-Dimensional (2D) NMR: Overview01:12

Two-Dimensional (2D) NMR: Overview

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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....
693
Applications Of NMR In Biology01:25

Applications Of NMR In Biology

3.7K
Nuclear magnetic resonance (NMR) spectroscopy is a very valuable analytical technique for researchers. It has been used for more than 50 years as an analytical tool. F. Bloch and E. Purcell formulated NMR in 1946 and won the 1952 Nobel Prize in Physics  for their work. Biological macromolecules such as proteins, nucleic acids, lipids, and organic molecules including pharmaceutical compounds, can be studied using this versatile tool that exploits the magnetic properties of certain nuclei.
3.7K
¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)01:20

¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)

1.1K
When proton-coupled carbon-13 spectra are simplified by a broadband proton decoupling technique, structural information about the coupled protons is lost. Distortionless enhancement by polarization transfer (DEPT) is a technique that provides information on the number of hydrogens attached to each carbon in a molecule. While the DEPT experiment utilizes complex pulse sequences, the pulse delay and flip angle are specifically manipulated. The resulting signals have different phases depending on...
1.1K
Chemical Shift: Internal References and Solvent Effects01:17

Chemical Shift: Internal References and Solvent Effects

654
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...
654
Atomic Nuclei: Magnetic Resonance01:05

Atomic Nuclei: Magnetic Resonance

665
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...
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相关实验视频

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Concentration of Metabolites from Low-density Planktonic Communities for Environmental Metabolomics using Nuclear Magnetic Resonance Spectroscopy
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Concentration of Metabolites from Low-density Planktonic Communities for Environmental Metabolomics using Nuclear Magnetic Resonance Spectroscopy

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一个数据存储平台,用于共享核磁共振数据.

Matthew Pin1, Ella F Poynton1, Tamara Jordan1

  • 1Department of Chemistry, Simon Fraser University, 8888 University Drive, Burnaby, BC V5A 1S6, Canada.

Journal of natural products
|November 7, 2023
PubMed
概括

核磁共振 (NMR) 数据经常由于沉积方法不佳而丢失. 需要一个新的,用户友好的系统来改善数据共享和推动科学发现.

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15N CPMG Relaxation Dispersion for the Investigation of Protein Conformational Dynamics on the µs-ms Timescale
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15N CPMG Relaxation Dispersion for the Investigation of Protein Conformational Dynamics on the µs-ms Timescale
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科学领域:

  • 化学 化学 化学
  • 生物化学 生物化学
  • 数据科学数据科学数据科学

背景情况:

  • 核磁共振 (NMR) 数据对于科学发现至关重要,但很少被存储在开放的数据库中.
  • 目前报告NMR数据 (图像,表格,列表) 的方法不足,缺乏标准化,阻碍了数据的可访问性.
  • 对NMR数据的有限访问阻碍了化合物脱复制和数据驱动的发现工具的开发,影响了自然产品研究等领域.

研究的目的:

  • 为了应对NMR数据存储和可访问性的挑战.
  • 为存储和分发NMR数据提出简化和用户友好的机制.
  • 支持越来越多的要求在科学出版物中提交数据,例如在自然产品杂志 (JNP).

主要方法:

  • 分析现有的NMR数据存储实践和数据库.
  • 识别当前数据报告格式和接口的局限性.
  • 一个新系统的概念化,旨在实现易于使用和全面的数据捕获.

主要成果:

  • 现有的NMR数据库往往没有针对自然产品数据进行优化,或者存在复杂的沉积过程.
  • 目前的数据报告方法无法捕获原始NMR数据的全部信息内容.
  • 对于NMR数据共享的标准化,可访问的平台存在重大需求.

结论:

  • 改善NMR数据的可访问性对于促进科学知识的发展和实现数据驱动的研究至关重要.
  • 需要一个用户友好的存储系统来鼓励数据共享,并遵守新的期刊任务.
  • 促进NMR数据的FAIR数据原则将加速化学和相关领域的发现.