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在组织数据集上依赖MALDI-TIMS-MS生物成像.

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概括

空间离子移动计划详尽的碎片化 (SIMSEF) 通过添加关键的碎片化光谱来增强被困离子移动性光谱-质谱成像. 这使得在组织上可靠的化合物注释和空间代谢学中化学空间的映射成为可能.

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科学领域:

  • 分析化学 分析化学
  • 生物化学 生物化学
  • 代谢学 代谢学 代谢学

背景情况:

  • 捕获离子移动性谱学 (TIMS) 与质谱学 (MS) 成像相结合,提供了先进的空间代谢学.
  • 在TIMS-MS成像中缺乏碎片化光谱 (MS2) 阻碍了对化合物的确定.
  • 组织上的注释仍然是空间代谢学中的一个挑战.

研究的目的:

  • 为TIMS-MS成像引入空间离子移动计划详尽碎片化 (SIMSEF).
  • 用必要的MS2光谱来增强TIMS-MS成像数据集.
  • 改进组织上的化合物注释和化学空间探索.

主要方法:

  • 开发了SIMSEF,这是TIMS-MS成像的数据集依赖的获取策略.
  • 系统分布的碎片化实验与多个碰撞能量.
  • 将SIMSEF集成到开源软件MZmine中,用于数据处理和分析.
  • 在大鼠大脑组织上利用矩阵辅助激光脱/电离 (MALDI) -TIMS-MS.

主要成果:

  • SIMSEF成功地将TIMS-MS成像数据集与MS2光谱进行了增强.
  • 在MZmine中通过光谱库匹配和基于规则的脂质注释启用了组织上的化合物注释.
  • 通过分子网络,便于绘制已知和未知的化学空间.
  • 演示了大鼠大脑组织部分的工作流程.

结论:

  • SIMSEF显著提高了TIMS-MS成像的分析能力.
  • 在空间代谢学中提供了可靠的组织上化合物注释的强大方法.
  • 开源算法和数据处理管道为化学空间探索提供了宝贵的社区资源.