Characterizing ion mobility-mass spectrometry conformation space for the analysis of complex biological samples.
Characterizing ion mobility-mass spectrometry conformation space for the analysis of complex biological samples.
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DOI：
10.1007/s00216-009-2666-3
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发表时间：
2009-05
影响因子：
4.3
通讯作者：
McLean, John A.
中科院分区：
文献类型：
--
作者：
Fenn, Larissa S.;Kliman, Michal;Mahsut, Ablatt;Zhao, Sophie R.;McLean, John A.
关键词：
描述了由离子迁移率-质谱（IM-MS）测量的不同类别的生物分子所占据的构象空间，用于复杂生物样品的表征。虽然已知基于结构或碰撞截面的不同种类的生物分子的定性分离，但是对于除肽之外的物质，存在相对较少的定量截面信息。在这份报告中，碰撞截面测量了一个大的套生物学显着的物种，包括寡核苷酸（n=96），碳水化合物（n=192），和脂质（n=53），这是比较报告的值为肽（n= 610）。一般来说，每个类别的信号是高度相关的，并且在给定的质量下，这些相关性导致预测的碰撞截面以寡核苷酸<碳水化合物<肽<脂质的顺序增加。具体的相关性所描述的对数回归，这最好的近似增加碰撞横截面作为增加质量的函数的理论趋势。在每个分子类别内观察到的信号的统计处理表明，每个类别所占据的构象空间的宽度以脂质<寡核苷酸<肽<碳水化合物的顺序增加。构象空间分析在复杂生物样品的直接分析中的效用被描述，无论是在定性分子类别鉴定的背景下，还是在一类内的精细结构检查中。后者被证明在IM-MS分离的同量异序寡核苷酸，这是由分子动力学模拟解释。
The conformation space occupied by different classes of biomolecules measured by ion mobility-mass spectrometry (IM-MS) is described for utility in the characterization of complex biological samples. Although the qualitative separation of different classes of biomolecules on the basis of structure or collision cross section is known, there is relatively little quantitative cross-section information available for species apart from peptides. In this report, collision cross sections are measured for a large suite of biologically salient species, including oligonucleotides (n=96), carbohydrates (n=192), and lipids (n=53), which are compared to reported values for peptides (n= 610). In general, signals for each class are highly correlated, and at a given mass, these correlations result in predicted collision cross sections that increase in the order oligonucleotides<carbohydrates<peptides<lipids. The specific correlations are described by logarithmic regressions, which best approximate the theoretical trend of increasing collision cross section as a function of increasing mass. A statistical treatment of the signals observed within each molecular class suggests that the breadth of conformation space occupied by each class increases in the order lipids<oligonucleotides<peptides<carbohydrates. The utility of conformation space analysis in the direct analysis of complex biological samples is described, both in the context of qualitative molecular class identification and in fine structure examination within a class. The latter is demonstrated in IM-MS separations of isobaric oligonucleotides, which are interpreted by molecular dynamics simulations.
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影响因子：
15
作者：
Gidden, J;Ferzoco, A;Bowers, MT
通讯作者：
Bowers, MT
影响因子：
7.4
作者：
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影响因子：
1.8
作者：
Baker, Erin Shammel;Bernstein, Summer L.;Bowers, Michael T.
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DOI：
10.1016/s1044-0305(02)00866-8
发表时间：
2003-02-01
影响因子：
3.2
作者：
Gidden, J;Bowers, MT
通讯作者：
Bowers, MT
DOI：
10.1016/j.jasms.2007.04.007
发表时间：
2007-07-01
影响因子：
3.2
作者：
Dwivedi, Prabha;Bendiak, Brad;Hill, Herbert H., Jr.
通讯作者：
Hill, Herbert H., Jr.