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相关概念视频

Structural Isomerism02:34

Structural Isomerism

19.2K
Isomerism in Complexes
Isomers are different chemical species that have the same chemical formula. Structural isomerism of coordination compounds can be divided into two subcategories, the linkage isomers and coordination-sphere isomers.
Linkage isomers occur when the coordination compound contains a ligand that can bind to the transition metal center through two different atoms. For example, the CN− ligand can bind through the carbon atom or through the nitrogen atom. Similarly, SCN− can...
19.2K
Stereoisomerism02:52

Stereoisomerism

11.8K
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...
11.8K
Properties of Organometallic Compounds01:23

Properties of Organometallic Compounds

989
Organometallic compounds are compounds that contain a carbon–metal bond. Carbon belongs to an organyl group like alkyl, aryl, allyl, or benzyl groups. The metal can be from Group I or Group II of the periodic table, a transition metal, or a semimetal.
989
Ligand Binding and Linkage00:49

Ligand Binding and Linkage

4.8K
Allosteric proteins have more than one ligand binding site; the binding of a ligand to any of these sites influences the binding of ligands to the other sites. When a protein is allosteric, its binding sites are called coupled or linked.  In the case of enzymes, the site that binds to the substrate is known as the active site and the other site is known as the regulatory site. When a ligand binds to the regulatory site, this leads to conformational changes in the protein that can influence...
4.8K
Complexometric Titration: Ligands00:43

Complexometric Titration: Ligands

944
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...
944
Allosteric Proteins-ATCase01:19

Allosteric Proteins-ATCase

5.7K
Binding sites linkages can regulate a protein's function.  For example, enzyme activity is often regulated through a feedback mechanism where the end product of the biochemical process serves as an inhibitor.
Aspartate transcarbamoylase (ATCase) is a cytosolic enzyme that catalyzes the condensation of L-aspartate and carbamoyl phosphate to  N-carbamoyl-L-aspartate. This reaction is the first step in pyrimidine biosynthesis. UTP and CTP, the end products of the pyrimidine synthesis...
5.7K

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相关实验视频

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Versatile CO2 Transformations into Complex Products: A One-pot Two-step Strategy
07:36

Versatile CO2 Transformations into Complex Products: A One-pot Two-step Strategy

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展望:生物无机化学中的多配置方法.

Frederik K Jørgensen1, Mickaël G Delcey2, Erik D Hedegård1,2

  • 1Department of Physics, Chemistry, and Pharmacy, University of Southern Denmark, Campusvej 55, 5230 Odense, Denmark. erdh@sdu.dk.

Physical chemistry chemical physics : PCCP
|June 13, 2024
PubMed
概括

先进的量子化学方法现在准确地模拟金属蛋白,克服了以前的计算限制. 这些技术对于理解涉及过渡金属离子的关键生物过程至关重要.

科学领域:

  • 生物有机化学 生物有机化学
  • 计算化学计算化学
  • 量子化学 是一个量子化学.

背景情况:

  • 过渡金属离子对蛋白质结构和功能至关重要,使催化和氧结合等过程成为可能.
  • 由于复杂的电子配置和强烈的关联效应,对金属蛋白进行建模具有挑战性.

研究的目的:

  • 讨论生物无机系统的多配置量子化学方法的进展.
  • 要突出这些方法如何解决模拟金属蛋白的挑战.
  • 探索生物无机化学计算方法的未来演变.

主要方法:

  • 专注于多配置量子化学方法.
  • 对生物无机应用的密度函数理论 (DFT) 的比较.
  • 讨论最近的计算发展及其影响.

主要成果:

  • 多配置量子化学方法越来越容易获得和适用.
  • 这些方法成功地回答了生物无机化学的关键问题.
  • 计算成本的限制已经大大减轻了.

结论:

  • 现代量子化学方法为研究金属蛋白提供了强大的工具.

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Characterizing Lewis Pairs Using Titration Coupled with In Situ Infrared Spectroscopy
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  • 这些进展使我们能够更深入地了解涉及过渡金属的生物过程.
  • 该领域正在向更容易访问和更复杂的计算建模发展.