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二丙氨酸分子在电子俘获后脱氢母体负离子的形成和衰减。

Formation and decay of the dehydrogenated parent anion upon electron attachment to dialanine.

机构信息

Institut für Ionenphysik und Angewandte Physik and Center for Molecular Biosciences Innsbruck, Leopold-Franzens-Universität Innsbruck, Technikerstrasse 25, 6020 Innsbruck, Austria.

出版信息

Chemistry. 2012 Apr 10;18(15):4613-9. doi: 10.1002/chem.201102433. Epub 2012 Feb 28.

Abstract

The dehydrogenated parent anion M-H is one of the most dominant anions formed in dissociative electron attachment to various small biomolecules like nucleobases and single amino acids. In the present study, we investigate the M-H channel for the dipeptide dialanine by utilizing an electron monochromator and a two-sector-field mass spectrometer. At electron energies below 2 eV, the measured high-resolution ion-efficiency curve has a different shape to that for the single amino acid alanine, which is explained by the altered threshold energies for formation of M-H determined in quantum chemical calculations. Moreover, the structure of the formed M-H anion is further studied by investigating the unimolecular and collision-induced decay of this anion. Trajectory calculations have been carried out to aid the interpretation of the experimentally observed fragmentation patterns.

摘要

去氢母体负离子 M-H 是在各种小分子生物分子(如碱基和单氨基酸)的电子离解中形成的最主要的阴离子之一。在本研究中,我们通过使用电子单色仪和双扇形场质谱仪研究了二肽丙氨酸的 M-H 通道。在电子能量低于 2eV 的情况下,测量的高分辨率离子效率曲线的形状与单氨基酸丙氨酸不同,这可以通过量子化学计算确定的 M-H 形成的改变的阈值能量来解释。此外,通过研究该阴离子的单分子和碰撞诱导衰变,进一步研究了形成的 M-H 阴离子的结构。已经进行了轨迹计算,以帮助解释实验观察到的碎裂模式。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/82c2/3482929/37e8b97a4df3/chem0018-4613-f1.jpg

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