Determination of the collision cross sections of cardiolipins and phospholipids from Pseudomonas aeruginosa by traveling wave ion mobility spectrometry-mass spectrometry using a novel correction strategy
Determination of the collision cross sections of cardiolipins and phospholipids from Pseudomonas aeruginosa by traveling wave ion mobility spectrometry-mass spectrometry using a novel correction strategy
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DOI：
10.1007/s00216-019-02194-2
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发表时间：
2019-11-21
影响因子：
4.3
通讯作者：
Afonso, Carlos
中科院分区：
文献类型：
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作者：
Deschamps, Estelle;Schmitz-Afonso, Isabelle;Afonso, Carlos
碰撞截面（CCS）值是可以通过离子迁移谱（IMS）确定的离子的3D结构的描述符。目前，涉及CCS值测定的大多数脂质组学研究涉及真核生物样品（例如人、牛），并且在较低程度上涉及原核生物样品（例如细菌）。在这里，我们报告CCS值获得行波离子迁移谱（（CCSN 2）-C-TW）测量从铜绿假单胞菌的细菌膜-细菌列为优先级1的研发新的抗生素由世界卫生组织。为了弥补可以覆盖铜绿假单胞菌膜脂质的m/z和CCS范围的参比化合物的缺乏，使用三种校准品（聚丙氨酸、葡聚糖和磷脂）进行（CCSN 2）-C-TW校准。系统地观察到与已发表的脂质CCS值的偏移（Δ CCS%高达9%）;因此，我们提出了CCS校正策略。这种校正策略允许将我们的测量值和公布值之间的偏移（Δ CCS%）减少到小于2%。然后将该校正应用于确定尚未发表的铜绿假单胞菌脂质的CCS值。结果，对于四类磷脂（磷脂酰乙醇胺（PE）、磷脂酰胆碱（PC）、磷脂酰甘油（PG）和二磷脂酰甘油-称为心磷脂（CL）），获得了32个[M+H]（+）离子的（CCSN 2）-C-TW值和24个[M-H]（-）离子的（CCSN 2）-C-TW值。
Collision cross section (CCS) values are descriptors of the 3D structure of ions which can be determined by ion mobility spectrometry (IMS). Currently, most lipidomic studies involving CCS value determination concern eukaryote samples (e.g. human, bovine) and to a lower extent prokaryote samples (e.g. bacteria). Here, we report CCS values obtained from traveling wave ion mobility spectrometry ((CCSN2)-C-TW) measurements from the bacterial membrane of Pseudomonas aeruginosa-a bacterium ranked as priority 1 for the R&D of new antibiotics by the World Health Organization. In order to cover the lack of reference compounds which could cover the m/z and CCS ranges of the membrane lipids of P. aeruginosa, three calibrants (polyalanine, dextran and phospholipids) were used for the (CCSN2)-C-TW calibration. A shift from the published lipid CCS values was systematically observed (Delta CCS% up to 9%); thus, we proposed a CCS correction strategy. This correction strategy allowed a reduction in the shift (Delta CCS%) between our measurements and published values to less than 2%. This correction was then applied to determine the CCS values of Pseudomonas aeruginosa lipids which have not been published yet. As a result, 32 (CCSN2)-C-TW values for [M+H](+) ions and 24 (CCSN2)-C-TW values for [M-H](-) ions were obtained for four classes of phospholipids (phosphatidylethanolamines (PE), phosphatidylcholines (PC), phosphatidylglycerols (PG) and diphosphatidylglycerols-known as cardiolipins (CL)).