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

Infrared (IR) Spectroscopy: Overview01:09

Infrared (IR) Spectroscopy: Overview

4.3K
When electromagnetic radiation passes through a material, atoms or molecules transition from a lower to a higher energy state by absorbing radiation corresponding to the energy difference between the two states. The absorption of infrared (IR) radiation causes transitions between vibrational energy levels in a molecule. Therefore, IR spectroscopy is a useful analytical tool for determining the molecular structure of molecules.
Different compounds display unique properties due to their...
4.3K
IR Spectroscopy: Molecular Vibration Overview01:24

IR Spectroscopy: Molecular Vibration Overview

4.0K
When Infrared (IR) radiation passes through a covalently bonded molecule, the bonds transition from lower to higher vibrational levels. The fundamental vibrational motions that result in infrared absorption can be classified as stretching or bending vibrations.
Stretching vibrations are vibrational motions that occur along the bond line, changing the bond length or distance between two bonded atoms. They are further distinguished as symmetric or asymmetric. In symmetric stretching, the...
4.0K
IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration01:16

IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration

2.4K
A covalently bonded heteronuclear diatomic molecule can be modeled as two vibrating masses connected by a spring. The vibrational frequency of the bond can be expressed using an equation derived from Hooke's law, which describes how the force applied to stretch or compress a spring is proportional to the displacement of the spring. In this case, the atoms behave like masses, and the bond acts like a spring.
According to Hooke's law, the vibrational frequency is directly proportional to...
2.4K
Applications of IR Spectroscopy: Overview01:11

Applications of IR Spectroscopy: Overview

1.8K
The non-destructive nature and ability to provide valuable chemical information make IR spectroscopy a versatile technique with broad applications in various scientific and industrial fields. IR spectroscopy is commonly used to identify and characterize organic and inorganic compounds. It provides information about the functional groups present in a molecule and the bonding between atoms. This helps in the structural elucidation of compounds during organic synthesis, pharmaceutical research,...
1.8K
IR Spectrometers01:25

IR Spectrometers

1.9K
There are two main infrared (IR) spectrophotometers: dispersive IR spectrometers and Fourier transform infrared (FTIR) spectrometers. In a dispersive IR spectrometer, a beam of infrared radiation produced by a hot wire is divided into two parallel equal-intensity beams using mirrors. One beam passes through the sample, while another is a reference beam. The beams then move through the monochromator, which separates the radiations into a continuous spectrum of different frequencies. The...
1.9K
IR Frequency Region: Fingerprint Region01:03

IR Frequency Region: Fingerprint Region

1.6K
IR spectra are divided into two main regions: the diagnostic region and the fingerprint region. The diagnostic region of the spectrum lies above 1500 cm−1. The absorptions resulting from single-bond vibrations of the N–H, C–H, and O–H stretch at higher wavenumbers and appear on the left side of the spectrum. The stretching absorptions of the C≡C and C≡N occur between 2100–2300 cm−1. In contrast, those arising from stretching absorptions of the...
1.6K

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

Boosting Photocatalytic Overall Water Splitting Activity of Phosphorene Through Five-Coordinate Passivation Enabled by Carbene Addition.

Angewandte Chemie (International ed. in English)·2026
Same author

Alkali Cations Promote CO<sub>2</sub> Electroreduction on Cu(100) Surfaces under Acidic Conditions by Suppressing Surface Hydrogen Passivation: A Multiscale Modeling Perspective.

Journal of the American Chemical Society·2026
Same author

Endowing Metal Oxychloride Solid Electrolytes with Improved Li Compatibility.

Journal of the American Chemical Society·2026
Same author

PyMolGen: Database-Driven Molecular Generation of Drug-Like Compounds.

Journal of chemical information and modeling·2026
Same author

Study on Aroma Formation During the Withering Period of Ningchow Black Tea.

Foods (Basel, Switzerland)·2026
Same author

Hypoxia-preconditioned adipose-derived stem cells with injectable small intestinal submucosa for enhanced cartilage repair in osteoarthritis.

Bioengineering & translational medicine·2026

相关实验视频

Updated: Dec 3, 2025

Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions
06:50

Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions

Published on: January 26, 2024

2.3K

一个用于预测蛋白质红外光谱的机器学习协议

Sheng Ye1, Kai Zhong1, Jinxiao Zhang1

  • 1Hefei National Laboratory for Physical Sciences at the Microscale, CAS Center for Excellence in Nanoscience, School of Chemistry and Materials Science, University of Science and Technology of China, Hefei, Anhui 230026, People's Republic of China.

Journal of the American Chemical Society
|October 31, 2020
PubMed
概括
此摘要是机器生成的。

这项研究引入了一种机器学习方法,使用结构数据快速预测蛋白质红外 (IR) 光谱. 这种具有成本效益的工具准确地模拟了红外吸收的蛋白质结构和功能,有助于生物分子分析.

更多相关视频

A Protocol for Computer-Based Protein Structure and Function Prediction
16:41

A Protocol for Computer-Based Protein Structure and Function Prediction

Published on: November 3, 2011

69.4K
Proton Transfer and Protein Conformation Dynamics in Photosensitive Proteins by Time-resolved Step-scan Fourier-transform Infrared Spectroscopy
10:03

Proton Transfer and Protein Conformation Dynamics in Photosensitive Proteins by Time-resolved Step-scan Fourier-transform Infrared Spectroscopy

Published on: June 27, 2014

18.2K

相关实验视频

Last Updated: Dec 3, 2025

Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions
06:50

Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions

Published on: January 26, 2024

2.3K
A Protocol for Computer-Based Protein Structure and Function Prediction
16:41

A Protocol for Computer-Based Protein Structure and Function Prediction

Published on: November 3, 2011

69.4K
Proton Transfer and Protein Conformation Dynamics in Photosensitive Proteins by Time-resolved Step-scan Fourier-transform Infrared Spectroscopy
10:03

Proton Transfer and Protein Conformation Dynamics in Photosensitive Proteins by Time-resolved Step-scan Fourier-transform Infrared Spectroscopy

Published on: June 27, 2014

18.2K

科学领域:

  • 生物物理
  • 计算化学
  • 光谱学

背景情况:

  • 红外 (红外) 吸收光谱作为生物分子的关键化学指纹.
  • 从红外光谱中确定蛋白质二次结构是具有挑战性的,因为在动态环境中进行理论解释的计算费用很高.

研究的目的:

  • 开发一种快速且具有成本效益的机器学习协议,用于预测蛋白质的胺-红外光谱.
  • 建立一种将蛋白质的光谱特性与它们的生物和化学功能联系起来的方法.

主要方法:

  • 使用关键结构描述符开发了一种新的机器学习协议.
  • 该协议可以快速预测Amide I红外光谱,并将其与实验数据相关联.
  • 在各种蛋白质结构和条件下测试了模型的可转移性.

主要成果:

  • 机器学习协议准确地预测蛋白质胺I的红外光谱,与实验结果保持一致.
  • 该模型证明了可转移性,使蛋白质二次结构的分化成为可能.
  • 这种方法成功地探测了温度诱导的原子结构变化和监测蛋白质折叠动态.

结论:

  • 这种机器学习方法为分析蛋白质红外光谱的传统方法提供了具有成本效益的替代方案.
  • 该协议有助于预测蛋白质的二次结构,原子变异和折叠过程.
  • 开发的工具有助于更好地理解蛋白质的光谱特征与它们的生物功能之间的关系.