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

Olefin Metathesis Polymerization: Ring-Opening Metathesis Polymerization (ROMP)01:16

Olefin Metathesis Polymerization: Ring-Opening Metathesis Polymerization (ROMP)

2.6K
Ring-opening metathesis polymerization or ROMP involves strained cycloalkenes as starting materials. The mechanism of ROMP proceeds by reacting cycloalkene with Grubbs catalyst to give metallacyclobutane intermediate which undergoes a ring-opening reaction to form new carbene. The new carbene reacts with another molecule of cycloalkene. Repetition of these steps leads to the formation of an unsaturated open-chain polymer product. All these steps are reversible, however, relieving the ring...
2.6K
Radical Chain-Growth Polymerization: Chain Branching01:17

Radical Chain-Growth Polymerization: Chain Branching

2.0K
The skeletal structure of polymers synthesized via radical polymerization is always branched. For example, the polymerization of ethylene by radical polymerization results in a low-density grade of polyethylene with a heavily branched skeletal structure. Here, the radical site abstracts hydrogen from the growing chain, and the radical site shifts from the end (a primary carbon center) to anywhere within the growing chain (a secondary carbon center). Consequently, the part of the chain from the...
2.0K
Radical Formation: Overview01:03

Radical Formation: Overview

2.1K
A bond can be broken either by heterolytic bond cleavage to form ions or homolytic bond cleavage to yield radicals. A fishhook arrow is used to represent the motion of a single electron in homolytic bond cleavage. There are two main sources from which radicals can be formed:
Radicals from spin-paired molecules:
Radicals can be obtained from spin-paired molecules either by homolysis or electron transfer. While two radicals are formed in the former, an electron is added in the...
2.1K
Benzene to 1,4-Cyclohexadiene: Birch Reduction Mechanism01:18

Benzene to 1,4-Cyclohexadiene: Birch Reduction Mechanism

2.2K
Birch reduction uses solvated electrons as reducing agents. The reaction converts benzene to 1,4-cyclohexadiene. The reaction proceeds by the transfer of a single electron to the ring to form a benzene radical anion. This anion is highly basic—it abstracts a proton from the alcohol to form a cyclohexadienyl radical. Another single electron transfer gives the cyclohexadienyl anion. A proton transfer from the alcohol forms 1,4-cyclohexadiene. Since this reduction occurs via radical anion...
2.2K
Radical Chain-Growth Polymerization: Mechanism01:09

Radical Chain-Growth Polymerization: Mechanism

2.6K
The radical chain-growth polymerization mechanism consists of three steps: initiation, propagation, and termination of polymerization. The polymerization initiates when a free radical generated from the radical initiator adds to the unsaturated bond in the monomer. The unpaired electron of the free radical and one π electron in the unsaturated bond creates a σ bond between the free radical and the monomer. As a result, the other π electron in the unsaturated bond converts this...
2.6K
Structures of Carboxylic Acid Derivatives01:28

Structures of Carboxylic Acid Derivatives

2.7K
Structure of Carboxylic Acid Derivatives
Carboxylic acid derivatives contain an acyl group attached to a heteroatom such as chlorine, oxygen, or nitrogen. The carbonyl carbon and oxygen are both sp2-hybridized with an unhybridized p orbital.
The three sp2 orbitals of the carbonyl carbon form three σ bonds, one each with the carbonyl oxygen, the α carbon, and the heteroatom, whereas the other two sp2 orbitals of the carbonyl oxygen are occupied by the lone pairs. Further, the...
2.7K

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

Correction: Community Provider Perspectives on an Autism Learning Health Network: A Qualitative Study.

Journal of autism and developmental disorders·2024
Same author

Community Provider Perspectives on an Autism Learning Health Network: A Qualitative Study.

Journal of autism and developmental disorders·2024
Same author

A Pediatrician's Practical Guide for Navigating Transition to Adulthood with Autistic Youth and Their Caregivers.

Pediatric clinics of North America·2024
Same author

Deep generative molecular design reshapes drug discovery.

Cell reports. Medicine·2022
Same author

Possible Co-Evolution of Polyglutamine and Polyproline in Huntingtin Protein: Proline-Rich Domain as Transient Folding Chaperone.

The journal of physical chemistry letters·2022
Same author

Dynamics-Based Peptide-MHC Binding Optimization by a Convolutional Variational Autoencoder: A Use-Case Model for CASTELO.

Journal of chemical theory and computation·2021

相关实验视频

Updated: Jul 19, 2025

Depolymerizable Olefinic Polymers Based on Fused-Ring Cyclooctene Monomers
08:12

Depolymerizable Olefinic Polymers Based on Fused-Ring Cyclooctene Monomers

Published on: December 16, 2022

3.4K

r-BRICS - 一个修订的BRICS模块,可以打破环状结构和碳链.

Leili Zhang1, Vasumitra Rao1, Wendy Cornell1

  • 1IBM Thomas J. Watson Research Center, 1101 Kitchawan Road, Yorktown Heights, NY, 10598, USA.

ChemMedChem
|August 13, 2023
PubMed
概括

一种新的方法,修订BRICS (r-BRICS),提供了更灵活的分子碎片化. 这种方法比传统的金国家产生更小,更多的碎片,增强机器学习和药物发现的应用.

科学领域:

  • 计算化学是一种计算化学.
  • 化学信息学 化学信息学

背景情况:

  • 分子碎片化对于机器学习,分子建模和药物发现至关重要.
  • 像BRICS这样的现有工具往往会产生很大的碎片,限制它们对特定任务的实用性.
  • 挑战包括完整的长线链,连接/融合的环,和含的组.

研究的目的:

  • 开发一种新的分子碎片化方法,以提高灵活性.
  • 解决现有的碎片化工具的局限性,特别是金国家.
  • 为了产生更小,更多的,和独特的分子碎片.

主要方法:

  • 开发一个修订的金国家 (r-BRICS) 算法.
  • 将r-BRICS应用于各种各样的分子.
  • 由r-BRICS与BRICS产生的碎片大小和多样性的比较.

主要成果:

  • 与BRICS相比,r-BRICS成功地产生了较小的分子碎片.
  • 修订后的方法允许更局部化的碎片评估.
  • r-BRICS产生了一个碎片数据库,其中具有更高数量的独特的小碎片.

结论:

关键词:
这就是金国家.化学信息学 化学信息学一个碎片库的图书馆.基于碎片的药物发现.分子碎片化的分子碎片化

更多相关视频

Interactive Molecular Model Assembly with 3D Printing
06:15

Interactive Molecular Model Assembly with 3D Printing

Published on: August 13, 2020

10.0K
Solid-phase Synthesis of [4.4] Spirocyclic Oximes
05:15

Solid-phase Synthesis of [4.4] Spirocyclic Oximes

Published on: February 6, 2019

6.9K

相关实验视频

Last Updated: Jul 19, 2025

Depolymerizable Olefinic Polymers Based on Fused-Ring Cyclooctene Monomers
08:12

Depolymerizable Olefinic Polymers Based on Fused-Ring Cyclooctene Monomers

Published on: December 16, 2022

3.4K
Interactive Molecular Model Assembly with 3D Printing
06:15

Interactive Molecular Model Assembly with 3D Printing

Published on: August 13, 2020

10.0K
Solid-phase Synthesis of [4.4] Spirocyclic Oximes
05:15

Solid-phase Synthesis of [4.4] Spirocyclic Oximes

Published on: February 6, 2019

6.9K
  • r-BRICS为分子碎片化提供了更灵活和多样化的方法.
  • 生成的较小碎片对基于碎片的机器学习,粗粒度和联体蛋白相互作用研究有好处.
  • 来自r-BRICS的小片段的多样性增加显示了基于片段的药物发现的前景.