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相关概念视频

¹H NMR of Conformationally Flexible Molecules: Temporal Resolution00:52

¹H NMR of Conformationally Flexible Molecules: Temporal Resolution

807
At room temperature, the chair conformer of cyclohexane undergoes rapid ring flipping between two equivalent chair conformers at a rate of approximately 105 times per second. These two chair conformers are in equilibrium. The rapid ring flipping results in the interconversion of the axial proton to an equatorial proton and an equatorial to the axial proton. Such interconversions are too rapid and cannot be detected on the NMR timescale. Hence, the NMR spectrometer cannot distinguish between the...
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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...
171
¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR01:15

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

1.1K
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.
1.1K
2D NMR: Overview of Heteronuclear Correlation Techniques01:18

2D NMR: Overview of Heteronuclear Correlation Techniques

157
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...
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NMR Spectroscopy of Aromatic Compounds01:14

NMR Spectroscopy of Aromatic Compounds

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Aromatic compounds can be identified or analyzed using proton NMR and carbon‐13 NMR. Typically, aromatic hydrogens or hydrogens directly bonded to the aromatic rings are strongly deshielded by the aromatic ring current. Therefore, they absorb in the range of 6.5–8.0 ppm in proton NMR spectra. For instance, aromatic hydrogens directly bonded to the benzene ring absorb at 7.3 ppm. However, aromatic hydrogens of larger rings absorb farther upfield or downfield than the ideal range.
4.5K
Two-Dimensional (2D) NMR: Overview01:12

Two-Dimensional (2D) NMR: Overview

619
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....
619

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Author Spotlight: Exploring Intrinsically Disordered Protein Dynamics Through NMR Relaxation Experiments
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时间域NMR用于多态性特征:当前状态和未来前景.

Luisa Souza Almeida1, Jaqueline Carneiro2, Luiz Alberto Colnago3

  • 1São Carlos Institute of Chemistry, University of São Paulo, Avenida Trabalhador São Carlense, 400, 13566-590 São Carlos, SP, Brazil.

International journal of pharmaceutics
|December 5, 2024
PubMed
概括

时域核磁共振 (TD-NMR) 提供了一种方便和有效的方法来评估活性药物成分 (API) 中的多态性. 这种技术为固态特性提供了有价值的见解,有助于制药开发.

关键词:
药品中的活性成分.这就是NMR的NMR.多态性多态性多态性放松计放松计放松计.

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科学领域:

  • 固态化学 固态化学
  • 制药科学 制药科学
  • 分析化学是一种分析化学.

背景情况:

  • 多态性,即某种化合物的多个晶体形式的存在,显著影响了活性药物成分 (API) 的物理化学和药物动力学特性.
  • 对API固态特性进行准确的表征对于药物开发和确保最终产品的有效性至关重要.
  • 传统的表征方法包括X射线衍射,差分扫描热量计和各种光谱技术.

研究的目的:

  • 提供关于时域核磁共振 (TD-NMR) 在药品中的多态性评估当前进展的概述.
  • 突出TD-NMR在评估API固态特性中的日益广泛的应用和优势.
  • 将各种TD-NMR应用用于API固态特性进行比较,并建议未来的研究方向.

主要方法:

  • 对最近的文献 (过去五年) 的审查,重点是时间域核磁共振 (TD-NMR) 用于固态特征的应用.
  • 分析TD-NMR在评估活性药物成分 (API) 多态性的实用性.
  • 对TD-NMR与传统的高场NMR设备进行工业应用的比较.

主要成果:

  • 越来越多地报告TD-NMR用于评估API中的多态性,这表明人们对这种技术越来越感兴趣.
  • 与高场NMR相比,TD-NMR具有优势,包括更小的设备尺寸和更短的测量时间,使其适用于工业应用.
  • 这项研究比较了用于API固态特征的各种TD-NMR应用.

结论:

  • TD-NMR是一种引人注目的和工业上方便的技术,用于评估药物API中的多态性.
  • 鼓励对TD-NMR进行进一步的研究和应用,以在药物开发中进行强大的固态特征.
  • TD-NMR为现有多态分析技术提供了一种有价值的替代或补充方法.