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

Predicting Molecular Geometry02:27

Predicting Molecular Geometry

34.0K
VSEPR Theory for Determination of Electron Pair Geometries
34.0K
Predicting Reaction Outcomes02:24

Predicting Reaction Outcomes

8.1K
Kinetics describes the rate and path by which a reaction occurs. In contrast, thermodynamics deals with state functions and describes the properties, behavior, and components of a system. It is not concerned with the path taken by the process and cannot address the rate at which a reaction occurs. Although it does provide information about what can happen during a reaction process, it does not describe the detailed steps of what appears on an atomic or a molecular level. On the other hand,...
8.1K
Crystal Growth: Principles of Crystallization01:25

Crystal Growth: Principles of Crystallization

1.5K
Crystallization is a phase transformation process in which crystals are precipitated from a supersaturated solution or formed from other sources. During crystallization, atoms or molecules arrange themselves into a well-defined, rigid crystal lattice to minimize energy.
Initiating crystallization involves manipulating the concentration of the solute and the temperature of the solution. Since crystal growth occurs when the ratio of concentration and solubility of the solute in the solvent...
1.5K
Radical Chain-Growth Polymerization: Overview01:10

Radical Chain-Growth Polymerization: Overview

2.3K
Chain-growth or addition polymerization is successive addition reactions of monomers with a polymer chain. In radical chain-growth polymerization, the reaction proceeds via a free-radical intermediate. The free radical is formed from radical initiators, which spontaneously generate free radicals by homolytic fission. Organic peroxides (such as dibenzoyl peroxide, as shown in Figure 1) or azo compounds are popular radical initiators. A low concentration ratio of radical initiator to monomer is...
2.3K
Cationic Chain-Growth Polymerization: Mechanism00:57

Cationic Chain-Growth Polymerization: Mechanism

2.2K
The cationic polymerization mechanism consists of three steps: initiation, propagation, and termination. In the initiation step of the polymerization process, the π bond of a monomer gets protonated by the Lewis acid catalyst, which is formed from boron trifluoride and water. The protonation of the π bond generates a carbocation stabilized by the electron‐donating group. In the propagation step, the π bond of the second monomer acts as a nucleophile and attacks the...
2.2K
Step-Growth Polymerization: Overview01:03

Step-Growth Polymerization: Overview

3.4K
Step-growth or condensation polymerization is a stepwise reaction of bi or multifunctional monomers to form long-chain polymers. As all the monomers are reactive, most of the monomers are consumed at the early stages of the reaction to form small chains of reactive oligomers, which then combine to form long polymer chains in the late stages. Hence, the reaction has to proceed for a long time to achieve high molecular weight polymers.
Many natural and synthetic polymers are produced by...
3.4K

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

Regulatory Effects of the PDE8B Inhibitor PF-04957325 on Cognitive Impairment and Neuroinflammation in Aβ-Induced Alzheimer's Disease Mouse Models.

Neurochemical research·2026
Same author

Efficient expression of full-length triple-helix recombinant type III collagen in <i>Pichia pastoris</i>.

Synthetic and systems biotechnology·2026
Same author

Phase unwrapping in digital holographic interferometry via physics-informed convolutional-Fourier neural network.

Optics express·2026
Same author

Screening the optimal rTSMS frequency to orchestrate immune-fibrotic remodeling for adult spinal cord repair.

Frontiers in neuroscience·2026
Same author

HyperDC: A Non-Uniform Hypergraph Framework for Dual- and Higher-Order Drug Combination Recommendation Across Diverse Complex Diseases.

Journal of chemical information and modeling·2026
Same author

Solvent-Mediated Structural Tuning of Eu-MOFs for the <i>N</i>-Formylation of Amines with CO<sub>2</sub>.

Inorganic chemistry·2026

相关实验视频

Updated: May 6, 2026

Fully Autonomous Characterization and Data Collection from Crystals of Biological Macromolecules
07:11

Fully Autonomous Characterization and Data Collection from Crystals of Biological Macromolecules

Published on: March 22, 2019

8.5K

Cocry-pred:一种用于 Cocrystal 预测的动态资源传播方法.

Wenxiang Song1, Ren Peng2, Hongbo Yu1

  • 1Shanghai Frontiers Science Center of Optogenetic Techniques for Cell Metabolism, Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology, Shanghai 200237, China.

Journal of chemical information and modeling
|March 12, 2025
PubMed
概括

一个新的共晶预测模型,Cocry-pred,使用基于网络的推断来有效地识别适合药物开发的共构体. 这种工具加速了共晶选和设计,改善了药物特性.

更多相关视频

Derivatization of Protein Crystals with I3C using Random Microseed Matrix Screening
14:04

Derivatization of Protein Crystals with I3C using Random Microseed Matrix Screening

Published on: January 16, 2021

5.0K
The Automated Crystallography Pipelines at the EMBL HTX Facility in Grenoble
06:50

The Automated Crystallography Pipelines at the EMBL HTX Facility in Grenoble

Published on: June 5, 2021

4.1K

相关实验视频

Last Updated: May 6, 2026

Fully Autonomous Characterization and Data Collection from Crystals of Biological Macromolecules
07:11

Fully Autonomous Characterization and Data Collection from Crystals of Biological Macromolecules

Published on: March 22, 2019

8.5K
Derivatization of Protein Crystals with I3C using Random Microseed Matrix Screening
14:04

Derivatization of Protein Crystals with I3C using Random Microseed Matrix Screening

Published on: January 16, 2021

5.0K
The Automated Crystallography Pipelines at the EMBL HTX Facility in Grenoble
06:50

The Automated Crystallography Pipelines at the EMBL HTX Facility in Grenoble

Published on: June 5, 2021

4.1K

科学领域:

  • 制药科学 制药科学
  • 计算化学的计算化学
  • 材料科学 材料科学 材料科学

背景情况:

  • 药物共结晶增强物理化学性能,而不会改变化学结构.
  • 在药物开发中,确定合适的共造物质是一个重大挑战,需要大量的资源.
  • 现有对coformer预测的方法往往是资源密集型和耗时的.

研究的目的:

  • 为了开发一种新且高效的共晶预测模型,Cocry-pred.
  • 为了简化对药物向分子潜在的共构体的识别.
  • 提高协晶选和设计的效率和成功率.

主要方法:

  • 利用基于网络的推断 (NBI) 算法进行动态资源传播.
  • 从共晶网络和分子亚结构信息中集成的拓数据.
  • 评估了13个分子指纹,并为模型性能优化了超参数 (α,β,γ).

主要成果:

  • Cocry-pred以0.885的曲线下面积 (AUC) 和0.108.10的R平方 (RS) 实现了高性能.
  • 该模型成功地预测了阿帕提尼布的潜在协同构造物.
  • 合成了七个阿帕蒂尼布共晶体,其中两个产生单晶结构,验证了模型的可靠性.

结论:

  • Cocry-pred提供了一个强大而高效的工具,用于可晶选和设计.
  • 该模型显著改善了识别合适的协成体的过程.
  • 这一进步为通过共结晶加速药物特性增强提供了宝贵的见解.