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Updated: Feb 26, 2026

Nuclear Magnetic Resonance Spectroscopy for the Identification of Multiple Phosphorylations of Intrinsically Disordered Proteins

Nuclear Magnetic Resonance Spectroscopy for the Identification of Multiple Phosphorylations of Intrinsically Disordered Proteins

Published on: December 27, 2016

核磁気共鳴分光法によるキラル識別と相対配置解析の両方を可能にする二官能性フェニルアラニン-リジンオリゴペプチド

Yun Peng¹, Mingjun Zhu^1,2, Qilin Xiang^1,2

¹State Key Laboratory of Magnetic Resonance and Atomic Molecular Physics, National Center for Magnetic Resonance in Wuhan, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan, Hubei 430071, China.

Journal of the American Chemical Society

|February 25, 2026

Abstract:

Bifunctional agents that integrate solvent alignment and chiral differentiation could streamline NMR-based structural and stereochemical analysis. Yet alignment media that simultaneously induce enantiodifferentiation remain rare, particularly in protic solvents and across chemically diverse molecules. In this study, we demonstrate that the amphiphilic oligopeptide (FK)₄ self-assembles into β-sheet fibrils that serve as such a bifunctional medium. Upon assembly, (FK)₄ weakly aligns the solvent environment while providing sufficient intermolecular interactions for robust enantiomeric differentiation. (FK)₄ supports the enantiodifferentiation of diverse chiral compounds (amino acids, carbohydrates, organic acids, and pharmaceuticals) across multiple nuclei (¹H, ¹³C, and ¹⁹F), yielding well-resolved resonance bifurcations for accurate enantiopurity quantification through integration. The bifunction of (FK)₄ extends to water and protic organic solvents, allowing both residual chemical shift anisotropies (RCSAs) measurements and enantiodifferentiation in the same sample. This dual functionality enables a streamlined postsynthesis analysis workflow for simultaneous determination of enantiomeric composition and relative configuration in racemic reaction products. Integrating structural elucidation and chiral analysis, (FK)₄ offers a perspective on extending anisotropic NMR techniques to stereochemical differentiation with the potential to facilitate absolute configuration elucidation.

キーワード:

NMR キラル識別エナンチオマーペプチド繊維自己集合立体化学相対配置二官能性オリゴペプチド分析化学

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Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy

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Enzymatic Cascade Reactions for the Synthesis of Chiral Amino Alcohols from L-lysine

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