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

Atomic Nuclei: Nuclear Spin State Overview01:03

Atomic Nuclei: Nuclear Spin State Overview

2.1K
NMR-active nuclei have energy levels called 'spin states' that are associated with the orientations of their nuclear magnetic moments. In the absence of a magnetic field, the nuclear magnetic moments are randomly oriented, and the spin states are degenerate. When an external magnetic field is applied, the spin states have only 2 + 1 orientations available to them. A proton with = ½ has two available orientations. Similarly, for a quadrupolar nucleus with a nuclear spin value of one, the...
2.1K
Atomic Nuclei: Nuclear Spin State Population Distribution01:14

Atomic Nuclei: Nuclear Spin State Population Distribution

2.4K
Near absolute zero temperatures, in the presence of a magnetic field, the majority of nuclei prefer the lower energy spin-up state to the higher energy spin-down state. As temperatures increase, the energy from thermal collisions distributes the spins more equally between the two states. The Boltzmann distribution equation gives the ratio of the number of spins predicted in the spin −½ (N−) and spin +½ (N+) states.
2.4K
Spin–Spin Coupling Constant: Overview01:08

Spin–Spin Coupling Constant: Overview

1.5K
In bromoethane, the three methyl protons are coupled to the two methylene protons that are three bonds away. In accordance with the n+1 rule, the signal from the methyl protons is split into three peaks with 1:2:1 relative intensities. The methylene protons appear as a quartet, with the relative intensities of 1:3:3:1.
Qualitatively, any spin plus-half nucleus polarizes the spins of its electrons to the minus-half state. Consequently, the paired electron in the hydrogen–carbon bond must...
1.5K
The Pauli Exclusion Principle03:06

The Pauli Exclusion Principle

59.7K
The arrangement of electrons in the orbitals of an atom is called its electron configuration. We describe an electron configuration with a symbol that contains three pieces of information:
59.7K
Valence Bond Theory02:42

Valence Bond Theory

11.4K
Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
11.4K
Spin–Spin Coupling: Three-Bond Coupling (Vicinal Coupling)01:22

Spin–Spin Coupling: Three-Bond Coupling (Vicinal Coupling)

1.6K
Vicinal or three-bond coupling is commonly observed between protons attached to adjacent carbons. Here, nuclear spin information is primarily transferred via electron spin interactions between adjacent C‑H bond orbitals. This generally favors the antiparallel arrangement of spins, so 3J values are usually positive.
The extent of coupling depends on the C‑C bond length, the two H‑C‑C angles, any electron-withdrawing substituents, and the dihedral angle between the involved orbitals. The...
1.6K

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

Development of A Cell-Free COPII Vesicle Reconstitution Protocol For Investigating STING Sorting In A HEK-293 Cell-Based System.

Journal of visualized experiments : JoVE·2026
Same author

Sub-voxel Susceptibility Mapping and Machine Learning to Detect Brain Iron Deposition and Its Cognitive Relevance in Beta-Thalassemia.

AJNR. American journal of neuroradiology·2026
Same author

Associations Between Patient Characteristics and Cartilage T1ρ Relaxation Times Vary Over Time Following Patellar Dislocation.

Journal of orthopaedic research : official publication of the Orthopaedic Research Society·2026
Same author

A data-informed multidimensional composite score for stress assessment.

Acta psychologica·2026
Same author

Exploring infant feeding explicit and implicit bias among <i>healthcare professionals</i>.

Journal of health psychology·2026
Same author

Hydroxycinnamic acids target COPII cargo sorting machinery to attenuate inflammation via the cGAS-STING axis.

Journal of ethnopharmacology·2026
Same journal

Linker Engineering toward NIR-II Metal-Organic Framework with Maximal Emission beyond 1000 nm for Inflammatory Bowel Disease Imaging.

Journal of the American Chemical Society·2026
Same journal

Observing Kinetic Selectivity in Anthracene Photodimerization through Selective Quenching by Excited States of Proximate Rare Earth Cations.

Journal of the American Chemical Society·2026
Same journal

Sequence-Dependent Folding of Recognition-Encoded Melamine Oligomers.

Journal of the American Chemical Society·2026
Same journal

Large Thermo- and Mechanosalient Actuation via Cooperative Twist Elasticity-Induced Packing Motif Conversion.

Journal of the American Chemical Society·2026
Same journal

Discovery and Biosynthesis of Lanthipeptides Featuring an Azepinoindole Scaffold by Radical <i>S</i>-Adenosylmethionine Enzyme-Catalyzed C-C Bond Formation.

Journal of the American Chemical Society·2026
Same journal

Enantiopurity-Controlled Magnetism in a Two-Dimensional Organic-Inorganic Material.

Journal of the American Chemical Society·2026
関連記事をすべて見る

関連する実験動画

Updated: Feb 18, 2026

Site Directed Spin Labeling and EPR Spectroscopic Studies of Pentameric Ligand-Gated Ion Channels
11:19

Site Directed Spin Labeling and EPR Spectroscopic Studies of Pentameric Ligand-Gated Ion Channels

Published on: July 4, 2016

11.1K

溶液中のスピン状態を予測する簡単な方法

Santiago Rodríguez-Jiménez1, Mingrui Yang1, Ian Stewart1

  • 1Department of Chemistry and MacDiarmid Institute for Advanced Materials and Nanotechnology, University of Otago , P.O. Box 56, Dunedin 9054, New Zealand.

Journal of the American Chemical Society
|November 22, 2017
PubMed
まとめ
この要約は機械生成です。

密度関数理論 (DFT) は,鉄複合体のスピン状態の移行を予測する. 新しい方法は,DFTで計算された15N NMRシフトとスピンクロスオーバースイッチング温度を相関させ,合成前の予測を可能にします.

さらに関連する動画

Molecular Entanglement and Electrospinnability of Biopolymers
07:59

Molecular Entanglement and Electrospinnability of Biopolymers

Published on: September 3, 2014

15.1K
Paramagnetic Relaxation Enhancement for Detecting and Characterizing Self-Associations of Intrinsically Disordered Proteins
07:24

Paramagnetic Relaxation Enhancement for Detecting and Characterizing Self-Associations of Intrinsically Disordered Proteins

Published on: September 23, 2021

2.3K

関連する実験動画

Last Updated: Feb 18, 2026

Site Directed Spin Labeling and EPR Spectroscopic Studies of Pentameric Ligand-Gated Ion Channels
11:19

Site Directed Spin Labeling and EPR Spectroscopic Studies of Pentameric Ligand-Gated Ion Channels

Published on: July 4, 2016

11.1K
Molecular Entanglement and Electrospinnability of Biopolymers
07:59

Molecular Entanglement and Electrospinnability of Biopolymers

Published on: September 3, 2014

15.1K
Paramagnetic Relaxation Enhancement for Detecting and Characterizing Self-Associations of Intrinsically Disordered Proteins
07:24

Paramagnetic Relaxation Enhancement for Detecting and Characterizing Self-Associations of Intrinsically Disordered Proteins

Published on: September 23, 2021

2.3K

科学分野:

  • 無機化学
  • コンピュータ化学
  • 材料科学

背景:

  • スピン・クロスオーバー (SCO) 材料は,外部刺激に反応して電子スピン状態の変化を示す.
  • SCOの動作を予測し制御することは,分子スイッチやセンサーのアプリケーションにとって非常に重要です.
  • SCOの性質を予測するための既存の方法は,しばしば複雑な合成と特徴付けを必要とします.

研究 の 目的:

  • SCO複合体におけるスピン状態のスイッチング温度 (T1/2) を予測するためのシンプルで信頼できる方法を開発する.
  • 計算上の予測と実験的なSCO行動の間の相関を確立する.
  • 合成前に望ましい性質を持つSCO材料の合理的な設計を可能にします.

主な方法:

  • 密度関数理論 (DFT) の計算は,様々なリガンドの15N NMR化学シフト (δNA) を予測するために使用された.
  • [FeII (ラジン) 2 (NCBH3) ]と[FeII (bppX,Y) ]2 (Z) 2複合体の実験T1/2値が測定された.
  • 計算された δNA と観測された T1/2 の間の相関は,SCO複合体の2つの異なるシリーズで分析された.

主要な成果:

  • [FeII (ラジン) 2 (NCBH3) 2]複合体について,DFTで計算されたδNAと実験T1/2の間に優れた相関が観察された.
  • この相関は, [FeII(bppX,Y) 2) ](Z) 2複合体のシリーズで検証され,DFTアプローチの一般性を示した.
  • DFT法では,複合合成前の改変リガンドのT1/2値を成功裏に予測した.

結論:

  • DFTベースの簡単な方法は,スピン状態のスイッチング温度を正確に予測することができます.
  • このアプローチは,スピン状態のプロパティの予測可能なチューニングを可能にすることで,SCOの分野を大幅に前進させます.
  • この発見は,触媒,メタロ酵素モデリング,宿主-ゲスト化学に関する広範な意味を持つ.