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相关概念视频

Electron Microscope Tomography and Single-particle Reconstruction01:07

Electron Microscope Tomography and Single-particle Reconstruction

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Transmission electron microscopy (TEM) can be used to determine the 3D structure of biological samples with the help of techniques such as electron microscope tomography and single-particle reconstruction. While single-particle reconstruction can examine macromolecules and macromolecular complexes in vitro conditions only, tomography permits the study of cell components or small cells in vivo.
Electron Tomography
Electron tomography can be performed either in TEM or STEM (scanning transmission...
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Scanning Electron Microscopy01:07

Scanning Electron Microscopy

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A scanning electron microscope (SEM) is used to study the surface features of a sample by using an electron beam that scans the sample surface in a two-dimensional manner. Typically, areas between ~1 centimeter to 5 micrometers in width can be imaged. SEM can be used to image bacteria, viruses, tissues as well as larger samples like insects. Conventional SEM gives a magnification ranging from 20X to 30,000X and spatial resolution of 50 to 100 nanometers.
Fundamental Principles
Accelerated...
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Molecular Models02:00

Molecular Models

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Physical models representing molecular architectures of chemical compounds play essential roles in understanding chemistry. The use of molecular models makes it easier to visualize the structures and shapes of atoms and molecules.
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The Quantum-Mechanical Model of an Atom02:45

The Quantum-Mechanical Model of an Atom

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Shortly after de Broglie published his ideas that the electron in a hydrogen atom could be better thought of as being a circular standing wave instead of a particle moving in quantized circular orbits, Erwin Schrödinger extended de Broglie’s work by deriving what is now known as the Schrödinger equation. When Schrödinger applied his equation to hydrogen-like atoms, he was able to reproduce Bohr’s expression for the energy and, thus, the Rydberg formula governing...
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Electronic Structure of Atoms02:28

Electronic Structure of Atoms

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An atom comprises protons and neutrons, which are contained inside the dense, central core called the nucleus, with electrons present around the nucleus. Taking into account the wave–particle duality of electrons and the uncertainty in position around the nucleus, quantum mechanics provides a more accurate model for the atomic structure. It describes atomic orbitals as the regions around the nucleus where electrons of discrete energy exist, characterized by four quantum...
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Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

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Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than...
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相关实验视频

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Author Spotlight: Exploring Cellular Processes by Modeling Ligands in Cryo-EM Maps
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E+:软件用于对来自复杂结构的电子散射的层次模型.

Eytan Balken1, Daniel Khaykelson2, Itai Ben-Nun1

  • 1Institute of Chemistry, The Hebrew University of Jerusalem, Edmond J. Safra Campus, Givat Ram, 9190401 Jerusalem, Israel.

Journal of chemical information and modeling
|May 7, 2025
PubMed
概括
此摘要是机器生成的。

我们开发了E+软件来分析复杂结构中的电子散射数据,从而实现纳米级材料的详细建模. 该工具增强了4D-STEM显微镜中的分析,改善了结构分辨率.

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科学领域:

  • 材料科学 材料科学 材料科学
  • 生物物理学的生物物理.
  • 化学 化学 化学

背景情况:

  • 4D-STEM显微镜产生复杂的电子散射数据.
  • 从复杂的结构中分析这些数据是一个重大挑战.
  • 现有的方法在详细的结构建模方面扎.

研究的目的:

  • 开发用于分析电子散射数据的先进软件.
  • 为了使复杂的原子和分子结构的详细建模.
  • 改进4D-STEM数据的分析.

主要方法:

  • 开发了基于D+软件的E+软件.
  • 实施结构的等级式自下而上的建模.
  • 集成的几何和分子原子模型与组装对称性对接.
  • 包括solvation层贡献的计算和用于高级函数的Python API.

主要成果:

  • E+可以从单个方向或纤维的复杂结构中建模2D散射模式.
  • 不同方向的阿齐木斯集成的1D散射曲线是可计算的.
  • 层次模型允许在原子分辨率下进行超分子结构.
  • 对abTEM软件进行了验证E+验证.

结论:

  • E+软件有效地分析复杂结构中的电子散射数据.
  • 该软件可以从分子到超分子层次进行详细的建模.
  • E+是4D-STEM数据分析和结构阐释的一个有价值的工具.