Parker Gabriel D, Plymale Andrew, Hanley Luke, Yu Xiao-Ying
Department of Chemistry, University of Illinois Chicago, Chicago, IL 60607, United States.
Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37380, United States.
Data Brief. 2025 Jun 9;61:111763. doi: 10.1016/j.dib.2025.111763. eCollection 2025 Aug.
Analysis of bacterial biofilms is particularly challenging and important with diverse applications from systems biology to biotechnology. Among the variety of techniques that have been applied, time-of-flight secondary ion mass spectrometry (ToF-SIMS) has many promising features in studying the surface characteristics of biofilms. ToF-SIMS offers high spatial resolution and high mass accuracy, which permit surface sensitive analysis of biofilm components. Thus, ToF-SIMS provides a powerful solution to addressing the challenge of bacterial biofilm analysis. This dataset covers ToF-SIMS analysis of 300A (300A) isolated from the Hanford site in Richland, WA. The strain is known to have metal and sulfur reducing properties and can be used for bioremediation, wastewater treatment, bioengineering and technology development. There is a current need to identify small molecules and fragments produced from bacterial biofilms. Static ToF-SIMS spectra of 300A were obtained using an IONTOF TOF-SIMS V instrument equipped with a 25 keV Bi metal ion gun. Identified molecules and molecular fragments are compared against known biological databases and the reported peaks have at least 65 ppm mass accuracy. These molecules range from lipids and fatty acids to flavonoids, quinolones, and other naturally occurring organic compounds. It is anticipated that the spectral identification of key peaks will assist detection of metabolites, extracellular polymeric substance molecules like polysaccharides, and biologically relevant small molecules using ToF-SIMS in future surface and interface research of bacterial biofilms.
细菌生物膜分析极具挑战性但又十分重要，其应用广泛，涵盖从系统生物学至生物技术等多个领域。在已应用的多种技术中，飞行时间二次离子质谱（ToF-SIMS）在研究生物膜表面特征方面具有诸多显著特性。ToF-SIMS具备高空间分辨率和高质量精度，能够对生物膜成分进行表面敏感分析。因此，ToF-SIMS为应对细菌生物膜分析的挑战提供了有力的解决方案。该数据集涵盖了对从华盛顿州里奇兰市汉福德场地分离出的300A菌株的ToF-SIMS分析。已知该菌株具有金属还原和硫还原特性，可用于生物修复、废水处理、生物工程及技术开发。当前，迫切需要鉴定细菌生物膜产生的小分子和片段。使用配备25 keV铋金属离子枪的IONTOF TOF-SIMS V仪器获取了300A菌株的静态ToF-SIMS光谱。将鉴定出的分子和分子片段与已知的生物数据库进行比对，所报告的峰质量精度至少为65 ppm。这些分子包括脂质、脂肪酸、黄酮类化合物、喹诺酮类以及其他天然存在的有机化合物。预计关键峰的光谱鉴定将有助于在未来细菌生物膜的表面和界面研究中，利用ToF-SIMS检测代谢物、胞外聚合物分子（如多糖）以及具有生物学相关性的小分子。
