Jove
Visualize
联系我们
JoVE
x logofacebook logolinkedin logoyoutube logo
关于 JoVE
概览领导团队博客JoVE 帮助中心
作者
出版流程编辑委员会范围与政策同行评审常见问题投稿
图书馆员
用户评价订阅访问资源图书馆顾问委员会常见问题
研究
JoVE JournalMethods CollectionsJoVE Encyclopedia of Experiments存档
教育
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab Manual教师资源中心教师网站
使用条款与条件
隐私政策
政策

相关概念视频

Metal-Ligand Bonds02:51

Metal-Ligand Bonds

20.8K
The hemoglobin in the blood, the chlorophyll in green plants, vitamin B-12, and the catalyst used in the manufacture of polyethylene all contain coordination compounds. Ions of the metals, especially the transition metals, are likely to form complexes.
In these complexes, transition metals form coordinate covalent bonds, a kind of Lewis acid-base interaction in which both of the electrons in the bond are contributed by a donor (Lewis base) to an electron acceptor (Lewis acid). The Lewis acid in...
20.8K
Complexometric Titration: Ligands00:43

Complexometric Titration: Ligands

961
Different monodentate and polydentate ligands are used as complexing agents in complexometric titration reactions. The formation of complexes by mono- and bidentate ligands involves two or more intermediate steps, limiting their use as complexing agents. In comparison, polydentate ligands can form complexes with metal ions in a single-step process, facilitating sharper end points. This means polydentate ligands, such as amino carboxylic acid derivatives, are most commonly employed in...
961
Valence Bond Theory02:42

Valence Bond Theory

8.6K
Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
8.6K
Ligand Binding Sites02:40

Ligand Binding Sites

12.9K
Proteins are dynamic macromolecules that carry out a wide variety of essential processes; however, the activities of most proteins depend on their interactions with other molecules or ions, known as ligands.
Protein-ligand interactions are quite specific; even though numerous potential ligands surround a cellular protein at any given time, only a particular ligand can bind to that protein. Moreover, a ligand binds only to a dedicated area on the surface of the protein, known as the...
12.9K
Complexation Equilibria: Factors Influencing Stability of Complexes01:09

Complexation Equilibria: Factors Influencing Stability of Complexes

376
In complexation reactions, metal cations are the electron pair acceptors, and the ligands are the electron pair donors. The stability of the metal complexes depends primarily on the complexing ability of the central metal ion and the nature of the ligands. Generally, the complexing ability of the metal ion depends on the size and charge of the ion. As the metal ion size increases, the stability of the metal complexes decreases, provided that the valency of the metal ion and the ligands remain...
376
Complexation Equilibria: The Chelate Effect01:19

Complexation Equilibria: The Chelate Effect

520
In complexation reactions, metal atoms or cations interact with ligands to form donor-acceptor adducts called metal complexes. Ligands that bind through one donor site are monodentate, ligands with two donor sites are bidentate, and those with more than two donor sites are polydentate ligands. For example, ethylene diamine is a bidentate ligand that binds through two nitrogen donor atoms, forming a five-membered ring. EDTA is a polydentate ligand that binds through four oxygen and two nitrogen...
520

您也可能阅读

相关文章

通过共同作者、期刊和引用图与本文相关的文章。

排序
Same author

The BOS-Lig Data Set: Accurate Ligand Charges from a Consensus Approach for 66,810 Experimentally Synthesized Ligands.

Journal of chemical information and modeling·2026
Same author

Side-Chain-Based Cross-Linking of Amorphous Iono-Electronic Conductive Polymers for Thermo-Chemical Stability in Electrochemical Devices.

ACS applied materials & interfaces·2026
Same author

High-Throughput Discovery of Conformation-Switching Mechanophores with Enhanced Reactivity and Stability.

Inorganic chemistry·2026
Same author

Mechanophore cross-linking enhances ballistic energy dissipation of polymers.

Nature·2026
Same author

QuantumPDB: A Workflow for High-Throughput Quantum Cluster Model Generation from Protein Structures.

Journal of chemical information and modeling·2026
Same author

Mammalian-like steroidogenesis in plants gives rise to endocrine-mimetic cardenolides.

Science advances·2026

相关实验视频

Updated: Jul 9, 2025

Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA
10:21

Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA

Published on: February 23, 2024

2.6K

发现分子协调环境 选择性离子结合到分子复合物的趋势 使用机器学习

Shuwen Yue1, Aditya Nandy1,2, Heather J Kulik1,2

  • 1Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States.

The journal of physical chemistry. B
|December 1, 2023
PubMed
概括

设计离子选择性材料至关重要. 这项研究发现,化学相互作用,而不仅仅是离子大小,决定了分子复合物的选择性,指导了更好的膜的发展.

更多相关视频

Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
14:44

Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR

Published on: December 16, 2013

9.6K
Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
08:49

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on: June 20, 2025

196

相关实验视频

Last Updated: Jul 9, 2025

Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA
10:21

Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA

Published on: February 23, 2024

2.6K
Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
14:44

Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR

Published on: December 16, 2013

9.6K
Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
08:49

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on: June 20, 2025

196

科学领域:

  • 材料科学 材料科学 材料科学
  • 计算化学计算化学
  • 物理化学 物理化学

背景情况:

  • 开发有效的离子选择性材料对于各种应用是必不可少的,但目前的技术面临着局限性.
  • 了解狭窄空间内的离子结合,如膜离子通道,是提高选择性的关键.
  • 小分子复合体可以作为研究离子通道行为的简化模型.

研究的目的:

  • 研究影响离子选择性的分子复合物的设计特征.
  • 了解金属离子 (Li+,Na+,K+) 的优先结合的能量基础.
  • 确定控制离子选择性的关键化学和几何因素.

主要方法:

  • 策划了来自剑桥结构数据库的563个金属协调分子复合物的数据集.
  • 使用密度函数理论 (DFT) 计算差异性离子结合能量.
  • 采用机器学习模型分析影响离子结合的几何和电子特征.

主要成果:

  • 对离子结合的能量偏好主要是由化学相互作用驱动的,而不仅仅是离子大小或结构变化.
  • 确定了有利于离子 (Li+) 选择性的特定趋势:协调原子的存在,平面几何形状和小环尺寸.
  • 机器学习模型成功地根据已识别的特征预测了选择性离子结合.

结论:

  • 化学相互作用,特别是协调环境,对于在分子系统中实现离子选择性至关重要.
  • 这些发现为设计先进的离子选择性膜提供了洞察力.
  • 数据驱动的方法为优化特定离子分离的材料提供了一条途径.