Study of N-Acetylamino Saccharides with Synchrotron-Based Ultraviolet Resonance Raman Spectroscopy: In Combination with ATR Far-Ultraviolet Spectroscopy

IF 4.6 2区 化学 Q2 CHEMISTRY, PHYSICAL The Journal of Physical Chemistry Letters Pub Date : 2025-02-12 DOI:10.1021/acs.jpclett.4c03435
Kosuke Hashimoto, Fatima Matroodi, Soh Morimatsu, Barbara Rossi, Yusuke Morisawa, Yukihiro Ozaki, Hidetoshi Sato
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Abstract

We investigate resonance (true resonance and pre-resonance) Raman (RR) effects in glucose, galactose, N-acetylglucosamine, and N-acetylgalactosamine with ultraviolet resonance Raman (UVRR) and far-ultraviolet (FUV) spectroscopies. Electronic transitions in the FUV region are attributed to electronic orbitals due to σ and π electrons. Their geometric orientations that participate in the resonance effect have not yet been well studied, unlike those for visible and near-infrared RR spectroscopies. In this study, we have employed monosaccharides and their derivatives with an amino group, which has strong FUV absorption near 190 nm. Quantum chemical calculation indicates that the band at 190 nm consists of multiple electric transitions. Their UVRR spectra measured with 213, 226, and 250 nm excitation suggest that Raman bands due to the amino group are enhanced via multiple electronic transitions, but those due to the saccharide groups are enhanced slightly. The results demonstrate that a combined study with UVRR and FUV spectroscopies provides new insights into the geometry and symmetry of the electronic transitions in σ and π orbitals.

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基于同步加速器的紫外共振拉曼光谱研究n-乙酰氨基糖:结合ATR远紫外光谱
我们用紫外共振拉曼(UVRR)和远紫外(FUV)光谱研究了葡萄糖、半乳糖、n -乙酰氨基葡萄糖和n -乙酰氨基半乳糖的共振(真共振和预共振)拉曼(RR)效应。在FUV区域的电子跃迁归因于由σ和π电子引起的电子轨道。与可见光和近红外RR光谱不同,它们参与共振效应的几何取向尚未得到很好的研究。在这项研究中,我们使用了单糖及其氨基衍生物,在190 nm附近具有很强的紫外吸收。量子化学计算表明,190 nm波段由多个电跃迁组成。在213、226和250 nm激发下测量的UVRR光谱表明,氨基引起的拉曼谱带通过多次电子跃迁而增强,而糖基引起的拉曼谱带则略有增强。结果表明,UVRR和FUV光谱的结合研究为σ和π轨道电子跃迁的几何和对称性提供了新的认识。
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来源期刊
The Journal of Physical Chemistry Letters
The Journal of Physical Chemistry Letters CHEMISTRY, PHYSICAL-NANOSCIENCE & NANOTECHNOLOGY
CiteScore
9.60
自引率
7.00%
发文量
1519
审稿时长
1.6 months
期刊介绍: The Journal of Physical Chemistry (JPC) Letters is devoted to reporting new and original experimental and theoretical basic research of interest to physical chemists, biophysical chemists, chemical physicists, physicists, material scientists, and engineers. An important criterion for acceptance is that the paper reports a significant scientific advance and/or physical insight such that rapid publication is essential. Two issues of JPC Letters are published each month.
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