Jove
Visualize
お問い合わせ
JoVE
x logofacebook logolinkedin logoyoutube logo
JoVEについて
概要リーダーシップブログJoVEヘルプセンター
著者向け
出版プロセス編集委員会範囲と方針査読よくある質問投稿
図書館員向け
推薦の声購読アクセスリソース図書館諮問委員会よくある質問
研究
JoVE JournalMethods CollectionsJoVE Encyclopedia of Experimentsアーカイブ
教育
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab Manual教員リソースセンター教員サイト
利用規約
プライバシーポリシー
ポリシー

関連する概念動画

IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration01:16

IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration

1.6K
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...
1.6K
UV–Vis Spectroscopy: Woodward–Fieser Rules01:29

UV–Vis Spectroscopy: Woodward–Fieser Rules

25.2K
UV–Visible absorption spectra of conjugated dienes arise from the lowest energy π → π* transitions. The light-absorbing part of the molecule is called the chromophore, and the substituents directly attached to the chromophore are called auxochromes. A strong correlation exists between the absorption maxima, λmax, and the structure of a conjugated π system. The Woodward–Fieser rules predict the value of λmax for a given...
25.2K
Analyte Adsorption and Distribution01:09

Analyte Adsorption and Distribution

789
In certain chromatographic separations, solutes transfer between the mobile phase and the stationary phase via sorption, which typically refers to the process of adsorption. For many chromatographic systems, the sorption process often depends on the polarity of the compounds—an expression of the overall dipole moment within the molecule. During the separation process, there is competition between the solute and solvent for adsorption to the stationary phase. Highly polar compounds and...
789
UV–Vis Spectroscopy: Beer–Lambert Law01:09

UV–Vis Spectroscopy: Beer–Lambert Law

3.7K
The Beer-Lambert law describes the relationship between absorbance and concentration, which combines the principles established by scientists Johann Heinrich Lambert and August Beer. Lambert's law states that when light passes through a medium, the loss in intensity is directly proportional to the original intensity and the path length of the light. Beer's law proposed that the transmittance of a solution remains constant if the product of concentration and path length is constant. The...
3.7K
Ultraviolet and Visible (UV–Vis) Spectroscopy: Overview01:02

Ultraviolet and Visible (UV–Vis) Spectroscopy: Overview

2.9K
Ultraviolet–visible (UV–visible or UV–Vis) spectroscopy is an analytical technique that investigates the interaction between matter and UV–Vis light within the electromagnetic spectrum. This method is widely used for its versatility, simplicity, and relatively quick data acquisition, making it valuable for both qualitative and quantitative analysis. When UV–Vis radiation passes through a material,  molecules absorb light depending on the energy required for...
2.9K
Infrared (IR) Spectroscopy: Overview01:09

Infrared (IR) Spectroscopy: Overview

2.2K
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...
2.2K

こちらも読む

関連記事

共著者、ジャーナル、引用グラフによってこの研究に関連する記事。

並び替え
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

Synergy of Spin States, Active Centers, and H Adsorption Sites on <i>d</i>-<i>p</i> Hybridized Fe-Sn-N<sub>6</sub>-C Dual-Atom Catalysts for Enhanced Oxygen Reduction Reaction.

Journal of the American Chemical Society·2026
Same author

Autonomous Chemistry and Materials Innovation Driven by Scientific Agents.

JACS Au·2026
Same author

Deep Learning of Protein Structure and Physicochemical Properties from Two-Dimensional Infrared Spectra.

The journal of physical chemistry letters·2026

関連する実験動画

Updated: Aug 31, 2025

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
08:54

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

5.7K

解釈可能な機械学習による振動スペクトロスコーピによる表面-吸収物質の性質の定量的な決定

Xijun Wang1, Shuang Jiang1, Wei Hu2

  • 1Hefei National Research Center for Physical Sciences at the Microscale, School of Chemistry and Materials Science, University of Science and Technology of China, Hefei 230026, China.

Journal of the American Chemical Society
|August 24, 2022
PubMed
まとめ
この要約は機械生成です。

この研究では,スペクトル信号を微小な材料の特性と直接関連付けるために,機械学習による振動スペクトロスコーピーを導入します. この方法は,吸収エネルギーと電荷の移転を定量的に決定し,材料の設計を支援します.

さらに関連する動画

In situ FTIR Spectroscopy as a Tool for Investigation of Gas/Solid Interaction: Water-Enhanced CO2 Adsorption in UiO-66 Metal-Organic Framework
11:38

In situ FTIR Spectroscopy as a Tool for Investigation of Gas/Solid Interaction: Water-Enhanced CO2 Adsorption in UiO-66 Metal-Organic Framework

Published on: February 1, 2020

16.1K
Study of Short Peptide Adsorption on Solution Dispersed Inorganic Nanoparticles Using Depletion Method
09:43

Study of Short Peptide Adsorption on Solution Dispersed Inorganic Nanoparticles Using Depletion Method

Published on: April 11, 2020

6.7K

関連する実験動画

Last Updated: Aug 31, 2025

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
08:54

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

5.7K
In situ FTIR Spectroscopy as a Tool for Investigation of Gas/Solid Interaction: Water-Enhanced CO2 Adsorption in UiO-66 Metal-Organic Framework
11:38

In situ FTIR Spectroscopy as a Tool for Investigation of Gas/Solid Interaction: Water-Enhanced CO2 Adsorption in UiO-66 Metal-Organic Framework

Published on: February 1, 2020

16.1K
Study of Short Peptide Adsorption on Solution Dispersed Inorganic Nanoparticles Using Depletion Method
09:43

Study of Short Peptide Adsorption on Solution Dispersed Inorganic Nanoparticles Using Depletion Method

Published on: April 11, 2020

6.7K

科学分野:

  • 物理科学
  • 材料科学
  • スペクトロスコーピー

背景:

  • 顕微鏡の材料の性質をマクロスコープの測定から推論することは困難です.
  • 現在の方法は間接的な構造の識別とシミュレーションに依存し,誤りやすい.
  • 材料の評価と設計には,スペクトル信号から顕微鏡の特性への直接的なリンクが必要です.

研究 の 目的:

  • 機械学習の振動スペクトロスコーピーを用いて定量的スペクトル特性関係を確立する.
  • 吸着エネルギーや光譜信号からの電荷移転などの重要な相互作用特性を直接決定します.
  • 材料分析のための解釈可能な数学モデルを開発する.

主な方法:

  • 振動スペクトロスコーピー (赤外線とラーマン) に適用された機械学習アルゴリズムを活用する.
  • 実験的スペクトル観測データから定量的スペクトル特性関係を開発する.
  • 異なる金属/合金表面での学習モデルの移転性を検証する.

主要な成果:

  • サブストラット-アドソルベートシステムの定量的なスペクトル-プロパティ関係を成功裏に確立しました.
  • 正確に測定された吸着エネルギーと,スペクトル信号から直接の電荷の移転.
  • 物理的に解釈可能な数学的公式を開発した.

結論:

  • 機械学習スペクトロスコピーは スペクトルデータから顕微鏡の特性への直接的な経路を提供します
  • このアプローチは間接的な方法の限界を克服し,エラーの蓄積を減らす.
  • オペラント条件下での材料設計と高通量スクリーニングのためのスペクトロスコピーのより広範な適用性を可能にします.