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相关概念视频

Nuclear Magnetic Resonance (NMR): Overview01:07

Nuclear Magnetic Resonance (NMR): Overview

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...
NMR Spectrometers: Overview01:20

NMR Spectrometers: Overview

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...
¹H NMR: Complex Splitting01:13

¹H NMR: Complex Splitting

A proton M that is coupled to a proton X results in doublet signals for M. However, NMR-active nuclei can be simultaneously coupled to more than one nonequivalent nucleus. When M is coupled to a second proton A, such as in styrene oxide, each peak in the doublet is split into another doublet.
Splitting diagrams or splitting tree diagrams are routinely used to depict such complex couplings. While drawing splitting diagrams, the splitting with the larger coupling constant is usually applied first.
¹H NMR: Long-Range Coupling01:27

¹H NMR: Long-Range Coupling

The coupling interactions of nuclei across four or more bonds are usually weak, with J values less than 1 Hz. While these are usually not observed in spectra, the presence of multiple bonds along the coupling pathway can result in observable long-range coupling.
In alkenes, spin information is communicated via σ–π overlap, as seen in allylic (four-bond) and homoallylic (five-bond) couplings. These coupling interactions are stronger when the σ bond is parallel to the alkene π orbitals.
2D NMR: Overview of Homonuclear Correlation Techniques01:16

2D NMR: Overview of Homonuclear Correlation Techniques

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...
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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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

Published on: April 7, 2012

连续聚合物的通用NMR数据库.

Shuhei Higashibayashi1, Werngard Czechtizky, Yoshihisa Kobayashi

  • 1Department of Chemistry and Chemical Biology, Harvard University, 12 Oxford Street, Cambridge, MA 02138, USA.

Journal of the American Chemical Society
|November 20, 2003
PubMed
概括

这项研究介绍了聚醇立体化学的NMR数据库,开发了使用自旋合常数作为主要预测因素和化学转移作为二次确认的方法. 马和三角形效应对特定立体同位素的预测进行了改进.

科学领域:

  • 有机化学 有机化学
  • 频谱学是一种光谱学.
  • 计算化学计算化学

背景情况:

  • 核磁共振 (NMR) 数据库对于分析复杂有机分子至关重要.
  • 多聚合物由于多个基基团存在立体化学挑战.
  • 聚醇立体化学的预测方法需要强大的分析工具.

研究的目的:

  • 开发和评估NMR数据库,用于聚合物的立体化学分析.
  • 评估各种NMR概况描述器的实用性,包括化学转移和自旋合常量.
  • 通过结合特定的立体化学效应来完善预测模型.

主要方法:

  • 使用1,2,3-三醇,1,2,3,4-四醇和1,2,3,4,5-五醇构建NMR数据库.
  • 配置描述符的应用: (13) C, (1) H,和 (1) H,OH 化学转移和邻近旋转合常量 ((3) J,H,H)).
  • 关于heptaols的案例研究,以分析对化学转移预测的gamma和delta效应,并评估 (3) J(H,H) 概况.

主要成果:

  • 用多种描述型建立了聚醇的NMR数据库.
  • 在特定的立体同位素子组中,马和三角形效应被确定为精炼化学转移预测的重要因素.
  • 开发了两种使用连续的 (3) J, H, H) 配置文件 (三个和两个常量) 的立体化学分析方法.

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Published on: April 7, 2012

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Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy

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  • 使用 (3) J, H, H) 配置文件进行分析被发现比使用化学转移配置文件操作更简单.
  • 结论:

    • (3) 由于其简单性和有效性,建议J,H,H) 配置文件作为预测聚醇立体化学的主要工具.
    • (13) C 和 (1) H 化学转移档案作为证实预测立体化学的有价值的二次工具.
    • 这项研究提供了对聚醇立体化学分析的精细方法,提高了准确性和效率.