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

Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving01:29

Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving

54
Mechanistic models play a crucial role in algorithms for numerical problem-solving, particularly in nonlinear mixed effects modeling (NMEM). These models aim to minimize specific objective functions by evaluating various parameter estimates, leading to the development of systematic algorithms. In some cases, linearization techniques approximate the model using linear equations.
In individual population analyses, different algorithms are employed, such as Cauchy's method, which uses a...
54
Catalysis02:50

Catalysis

26.9K
The presence of a catalyst affects the rate of a chemical reaction. A catalyst is a substance that can increase the reaction rate without being consumed during the process. A basic comprehension of a catalysts’ role during chemical reactions can be understood from the concept of reaction mechanisms and energy diagrams.
26.9K
Catalytically Perfect Enzymes01:07

Catalytically Perfect Enzymes

4.0K
The theory of catalytically perfect enzymes was first proposed by W.J. Albery and J. R. Knowles in 1976. These enzymes catalyze biochemical reactions at high-speed. Their catalytic efficiency values range from 108-109 M-1s-1. These enzymes are also called 'diffusion-controlled' as the only rate-limiting step in the catalysis is that of the substrate diffusion into the active site. Examples include triose phosphate isomerase, fumarase, and superoxide dismutase.
 
Most enzymes...
4.0K
Turnover Number and Catalytic Efficiency01:19

Turnover Number and Catalytic Efficiency

10.1K
The turnover number of an enzyme is the maximum number of substrate molecules it can transform per unit time. Turnover numbers for most enzymes range from 1 to 1000 molecules per second. Catalase has the known highest turnover number, capable of converting up to 2.8×106 molecules of hydrogen peroxide into water and oxygen per second. Lysozyme has the lowest known turnover number of half a molecule per second.
Chymotrypsin is a pancreatic enzyme that breaks down proteins during digestion....
10.1K
Reduction of Alkenes: Asymmetric Catalytic Hydrogenation02:17

Reduction of Alkenes: Asymmetric Catalytic Hydrogenation

3.3K
Catalytic hydrogenation of alkenes is a transition-metal catalyzed reduction of the double bond using molecular hydrogen to give alkanes. The mode of hydrogen addition follows syn stereochemistry.
The metal catalyst used can be either heterogeneous or homogeneous. When hydrogenation of an alkene generates a chiral center, a pair of enantiomeric products is expected to form. However, an enantiomeric excess of one of the products can be facilitated using an enantioselective reaction or an...
3.3K

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

Design rules for ternary CO<sub>2</sub> hydrogenation catalysts <i>via</i> literature-sourced network construction and analysis.

Chemical science·2026
Same author

Mechanistic insights into the stepwise oxidation of methane to methanol and formaldehyde over Cu-exchanged SSZ-13.

Physical chemistry chemical physics : PCCP·2026
Same author

Integration of DOPtools and CADS in a Web-Based User Interface for Structural Descriptor Calculation, Model Optimization, and Prediction.

Journal of chemical information and modeling·2026
Same author

Layered Porous Nanocubes: Harnessing Trimetallic PBA@WS<sub>2</sub>-Phosphorus Hybrid Architecture for Efficient Oxygen Evolution.

ACS applied materials & interfaces·2026
Same author

A Simple Microplate Assay for Accelerated Photocatalytic Activity Evaluation.

ACS environmental Au·2026
Same author

Sintering and Processing-Dependent Mechanical Behavior of UHMWPE and Its Nanocomposites in the Presence of Microfine UHMWPE.

ACS omega·2026

相关实验视频

Updated: Jul 2, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

12.8K

蒙特凯特:一个盆地跳跃启发的催化剂描述器搜索算法用于机器学习模型.

Fernando Garcia-Escobar1, Toshiaki Taniike2, Keisuke Takahashi1

  • 1Department of Chemistry, Hokkaido University, North 10, West 8, Sapporo 060-8510, Japan.

Journal of chemical information and modeling
|February 22, 2024
PubMed
概括

本研究引入了一种描述器搜索算法,以确定甲氧化的主要催化剂特征. 该方法有效地选择描述符,以改善催化剂性能的预测模型.

更多相关视频

Preparation and 3D Tracking of Catalytic Swimming Devices
06:50

Preparation and 3D Tracking of Catalytic Swimming Devices

Published on: July 1, 2016

7.6K
Machine Learning Algorithms for Early Detection of Bone Metastases in an Experimental Rat Model
07:15

Machine Learning Algorithms for Early Detection of Bone Metastases in an Experimental Rat Model

Published on: August 16, 2020

6.8K

相关实验视频

Last Updated: Jul 2, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

12.8K
Preparation and 3D Tracking of Catalytic Swimming Devices
06:50

Preparation and 3D Tracking of Catalytic Swimming Devices

Published on: July 1, 2016

7.6K
Machine Learning Algorithms for Early Detection of Bone Metastases in an Experimental Rat Model
07:15

Machine Learning Algorithms for Early Detection of Bone Metastases in an Experimental Rat Model

Published on: August 16, 2020

6.8K

科学领域:

  • 催化剂是一种催化剂.
  • 材料 信息学 信息学
  • 计算化学的计算化学

背景情况:

  • 开发有效的催化剂描述器对于理解催化剂性能和指导催化剂设计至关重要.
  • 催化剂信息学旨在弥合催化剂组成和反应结果之间的差距.
  • 甲的氧化合 (OCM) 是一个关键反应,需要优化的催化剂.

研究的目的:

  • 提出和评估一个描述器搜索算法来选择最佳的催化剂描述器.
  • 改进甲氧化合 (OCM) 中催化剂性能的预测模型.
  • 确定最能将催化剂组成与OCM性能相关的描述器子集.

主要方法:

  • 基于盆地跳跃优化开发了一个描述器搜索算法.
  • 该算法反复修改描述器子集并评估它们对回归模型得分的影响.
  • 该方法使用线性回归和支向量回归模型进行了测试.

主要成果:

  • 描述符搜索算法成功识别了OCM催化剂的相关描述符.
  • 实现了0.8268 (线性回归) 和0.6875 (支向量回归) 的平均交叉验证R平方得分.
  • 该算法在选择用于预测建模的描述符方面表现出有效性.

结论:

  • 拟议的描述器搜索算法是催化剂信息学中特征选择的高效包装方法.
  • 这种方法提高了模型的预测能力,将催化剂描述符与性能联系起来.
  • 该方法可以加速对OCM等反应的催化剂的发现和优化.