Characterizing lignins from various sources and treatment processes after optimized sample preparation techniques and analysis via ESI-HRMS and custom mass defect software tools.
Characterizing lignins from various sources and treatment processes after optimized sample preparation techniques and analysis via ESI-HRMS and custom mass defect software tools.
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DOI：
10.1007/s00216-023-04942-x
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发表时间：
2023-11
影响因子：
4.3
通讯作者：
Volmer, Dietrich A.
中科院分区：
文献类型：
--
作者：
Letourneau, Dane R.;Marzullo, Bryan P.;Alexandridou, Anastasia;Barrow, Mark P.;O'Connor, Peter B.;Volmer, Dietrich A.
在质谱分析之前，对复杂的天然混合物（如木质素）进行样品制备，无论多么微小，都是确保准确和无干扰结果的关键步骤。现代鸟枪质谱技术，其中样品直接注入高分辨率质谱仪（HRMS），没有事先分离，通常仍然需要基本的样品预处理，如过滤和适当的溶剂，以充分溶解和与大气压电离接口兼容。在这项研究中，样品制备协议已经建立了一个独特的样品集，包括各种各样的降解木质素样品从许多来源和处理过程。样品通过电喷雾（ESI）-HRMS以负离子和正离子模式进行分析。然后，使用自定义R脚本和开源Constellation软件将所得到的信息丰富的HRMS数据集转换为质量缺陷空间，作为可视化样品制备和电离条件引起的样品之间变化的有效方法，以及这些不同样品集综合表征的起点。首次提出了四种木质素的ESI-HRMS分析的优化条件，为未来寻求更好地表征和理解这些复杂混合物的研究提供了一个很好的起点。在线版本包含补充材料，可通过10.1007/s 00216 -023-04942-x获得。
Sample preparation of complex, natural mixtures such as lignin prior to mass spectrometry analysis, however minimal, is a critical step in ensuring accurate and interference-free results. Modern shotgun-MS techniques, where samples are directly injected into a high-resolution mass spectrometer (HRMS) with no prior separation, usually still require basic sample pretreatment such as filtration and appropriate solvents for full dissolution and compatibility with atmospheric pressure ionization interfaces. In this study, sample preparation protocols have been established for a unique sample set consisting of a wide variety of degraded lignin samples from numerous sources and treatment processes. The samples were analyzed via electrospray (ESI)-HRMS in negative and positive ionization modes. The resulting information-rich HRMS datasets were then transformed into the mass defect space with custom R scripts as well as the open-source Constellation software as an effective way to visualize changes between the samples due to the sample preparation and ionization conditions as well as a starting point for comprehensive characterization of these varied sample sets. Optimized conditions for the four investigated lignins are proposed for ESI-HRMS analysis for the first time, giving an excellent starting point for future studies seeking to better characterize and understand these complex mixtures. The online version contains supplementary material available at 10.1007/s00216-023-04942-x.
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新算法在开源星座网络应用程序中展示了对化学意义变化单位的无目标检测，以及聚合物混合物 HRMS 数据的配方分配。
影响因子：
8.6
作者：
通讯作者：
--
DOI：
10.1007/s13361-018-1916-z
发表时间：
2018-05-01
影响因子：
3.2
作者：
Andrianova, Anastasia A.;DiProspero, Thomas;Kubatova, Alena
通讯作者：
Kubatova, Alena
影响因子：
8.4
作者：
del Rio, Jose C.;Rencoret, Jorge;Ralph, John
通讯作者：
Ralph, John
影响因子：
7.4
作者：
Dier, Tobias K. F.;Egele, Kerstin;Volmer, Dietrich A.
通讯作者：
Volmer, Dietrich A.
影响因子：
7.4
作者：
KENDRICK, E
通讯作者：
KENDRICK, E