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相关概念视频

X-ray Diffraction of Biological Samples01:10

X-ray Diffraction of Biological Samples

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X-ray diffraction or XRD is an analytical tool that utilizes X-rays to study ordered structures such as crystalline organic and inorganic samples, polycrystalline materials, proteins, carbohydrates, and drugs.
According to Bragg's law, when X-rays strike the sample positioned on a stage, the rays are  scattered by the electron clouds around the sample atoms. The  X-ray diffraction or scattering is caused by constructive interference of the X-ray waves that reflect off the internal...
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Stereoisomerism of Cyclic Compounds02:33

Stereoisomerism of Cyclic Compounds

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In this lesson, we delve into the role of ring conformation and its stability, which determines the spatial arrangement and, consequently, the molecular symmetry and stereoisomerism of cyclic compounds. 1,2-Dimethylcyclohexane is used as a case study to evaluate the possible number of stereoisomers. Here, given the multiple (n = 2) chiral centers, there are 2n = 4 possible configurations that lack a plane of symmetry, as the ring skeleton exists in a non-planar chair conformation. In addition,...
8.7K
Molecules with Multiple Chiral Centers02:25

Molecules with Multiple Chiral Centers

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Molecules that possess multiple chiral centers can afford a large number of stereoisomers. For instance, while some molecules like 2-butanol have one chiral center, defined as a tetrahedral carbon atom with four different substituents attached, several molecules like butane-2,3-diol have multiple chiral centers. A simple formula to predict the number of stereoisomers possible for a molecule with n chiral centers is 2n. However, there can be a lower number where some of the stereoisomers are...
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Stereoisomerism02:52

Stereoisomerism

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Isomerism in Complexes
Isomers are different chemical species that have the same chemical formula.
Transition metal complexes often exist as geometric isomers, in which the same atoms are connected through the same types of bonds but with differences in their orientation in space. Coordination complexes with two different ligands in the cis and trans positions from a ligand of interest form isomers. For example, the octahedral [Co(NH3)4Cl2]+ ion has two isomers (Figure 1) In the cis...
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¹H NMR of Conformationally Flexible Molecules: Temporal Resolution00:52

¹H NMR of Conformationally Flexible Molecules: Temporal Resolution

808
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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Molecular Shape and Polarity03:37

Molecular Shape and Polarity

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Dipole Moment of a Molecule
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Fully Autonomous Characterization and Data Collection from Crystals of Biological Macromolecules
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通过3DED研究的oxyresveratrol的多态性.

Elena Husanu1, Vincentia Emerson Agbemeh1,2, Iryna Andrusenko1

  • 1Electron Crystallography, Center for Material Interfaces, Istituto Italiano di Tecnologia, Viale Rinaldo Piaggio 34, Pontedera 56025, Italy.

ACS omega
|October 14, 2024
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概括

研究人员发现了oxyresveratrol的新晶体结构,oxyresveratrol是一种在亚洲医学中使用的天然化合物. 像3D电子衍射这样的先进技术揭示了以前未知的无水和二水形式,增强了我们对这一重要的植物提取物的理解.

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科学领域:

  • 结晶学和固态化学.
  • 自然产品化学和结构阐明.
  • 先进的材料表征. 先进的材料表征.

背景情况:

  • 氧化是一种天然的多,在亚洲有传统的医疗用途.
  • 了解固态形式 (多态) 对其制药应用至关重要.
  • 之前的研究还没有完全描述氧化的多态景观.

研究的目的:

  • 使用尖端技术研究氧化的多态性.
  • 为了识别和结构性地描述新型晶体形式的氧化.
  • 为了阐明氧化多态的热行为和形状稳定性.

主要方法:

  • 3D电子衍射 (3D ED) 用于亚微米晶体结构的确定.
  • 低温浸泡和常规固态分析.
  • 热分析 (DSC/TGA) 和差分扫描热量计 (DSC).
  • 密度函数理论 (DFT) 计算用于结构分析.

主要成果:

  • 首次发现了氧化的新型无水化晶体结构.
  • 一种新的多态氧化二形式的oxyresveratrol被发现和特征.
  • 热研究详细介绍了确定形式的脱水路径和稳定性.
  • DFT 计算提供了有关水合型适合体稳定性的见解.

结论:

  • 3D电子衍射是一种强大的工具,用于表征纳米晶体天然产品.
  • 这项研究扩展了已知的氧化的多态形式.
  • 这项研究为控制和利用特定的氧化固体形式在应用中提供了基础.