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Online Supercritical Fluid Chromatography Hyphenated to Fourier Transform Ion Cyclotron Resonance Mass Spectrometry with Quadrupole Detection for Microalgae Bio-Oil Characterization
Analytical Chemistry ( IF 6.7 ) Pub Date : 2024-09-11 , DOI: 10.1021/acs.analchem.4c01779 Jason Devaux 1, 2, 3 , Caroline Barrère-Mangote 3, 4 , Pierre Giusti 3, 4 , Sabine Heinisch 2 , Carlos Afonso 1, 3 , Mélanie Mignot 1, 3
Analytical Chemistry ( IF 6.7 ) Pub Date : 2024-09-11 , DOI: 10.1021/acs.analchem.4c01779 Jason Devaux 1, 2, 3 , Caroline Barrère-Mangote 3, 4 , Pierre Giusti 3, 4 , Sabine Heinisch 2 , Carlos Afonso 1, 3 , Mélanie Mignot 1, 3
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Microalgae are an attractive feedstock for biofuel production thanks to their renewable nature, high growth rate, and ability to use anthropogenic CO2. The conversion of microalgae by hydrothermal liquefaction (HTL) leads to a solid residue, a gaseous phase, and a biocrude. However, the bio-oil is rich in heteroatoms and requires upgrading processes to be used as biofuels. For these treatments to be effective, detailed knowledge of the sample is crucial. The bio-oil was characterized by direct introduction into a Fourier transform ion cyclotron resonance mass spectrometer (DI-FTICR MS) with an electrospray ionization source (ESI). Thousands of molecular formulas were assigned with a high level of confidence, mainly compounds with nitrogen and oxygen atoms. Additionally, the bio-oil was analyzed by coupling supercritical fluid chromatography (SFC) and FTICR to combine the separation power of SFC to the high performances of a 12 T FTICR. Quadrupole detection (2ω) was used in FTICR to have a high resolving power with a lower transient time. The coupling allowed the separation of many isomers along the chromatogram, showing the isomeric complexity of microalgae bio-oils. Moreover, classes of compounds were separated according to their heteroatom class thanks to the SFC separation. In this work, the advantages of DI-FTICR MS and SFC-FTICR MS proved complementary, and DI was useful to study the bio-oil at the molecular scale thanks to the high performances, while SFC proved useful for the characterization at the isomeric scale. This demonstrated the significant potential of this new online hyphenated technique for the characterization of complex matrices.
中文翻译：
在线超临界流体色谱联用傅里叶变换离子回旋共振质谱和四极杆检测微藻生物油表征
微藻因其可再生性、高生长率和利用人为CO 2 的能力而成为生物燃料生产的有吸引力的原料。通过水热液化 (HTL) 转化微藻可产生固体残渣、气相和生物原油。然而，生物油富含杂原子，需要进行升级处理才能用作生物燃料。为了使这些治疗有效，对样本的详细了解至关重要。通过直接引入带有电喷雾电离源（ESI）的傅里叶变换离子回旋共振质谱仪（DI-FTICR MS）来表征生物油。数千个分子式被高度可信地指定，主要是具有氮和氧原子的化合物。此外，通过耦合超临界流体色谱 (SFC) 和 FTICR 来分析生物油，将 SFC 的分离能力与 12 T FTICR 的高性能相结合。 FTICR 采用四极杆检测 (2ω)，具有较高的分辨率和较短的瞬态时间。偶联允许沿色谱图分离许多异构体，显示微藻生物油的异构体复杂性。此外，由于 SFC 分离，化合物的类别可以根据其杂原子类别进行分离。在这项工作中，DI-FTICR MS 和 SFC-FTICR MS 的优势被证明是互补的，DI 由于其高性能可用于分子尺度的生物油研究，而 SFC 则可用于异构体尺度的表征。这证明了这种新的在线连字符技术在复杂基质表征方面的巨大潜力。
更新日期：2024-09-11
中文翻译：
在线超临界流体色谱联用傅里叶变换离子回旋共振质谱和四极杆检测微藻生物油表征
微藻因其可再生性、高生长率和利用人为CO 2 的能力而成为生物燃料生产的有吸引力的原料。通过水热液化 (HTL) 转化微藻可产生固体残渣、气相和生物原油。然而，生物油富含杂原子，需要进行升级处理才能用作生物燃料。为了使这些治疗有效，对样本的详细了解至关重要。通过直接引入带有电喷雾电离源（ESI）的傅里叶变换离子回旋共振质谱仪（DI-FTICR MS）来表征生物油。数千个分子式被高度可信地指定，主要是具有氮和氧原子的化合物。此外，通过耦合超临界流体色谱 (SFC) 和 FTICR 来分析生物油，将 SFC 的分离能力与 12 T FTICR 的高性能相结合。 FTICR 采用四极杆检测 (2ω)，具有较高的分辨率和较短的瞬态时间。偶联允许沿色谱图分离许多异构体，显示微藻生物油的异构体复杂性。此外，由于 SFC 分离，化合物的类别可以根据其杂原子类别进行分离。在这项工作中，DI-FTICR MS 和 SFC-FTICR MS 的优势被证明是互补的，DI 由于其高性能可用于分子尺度的生物油研究，而 SFC 则可用于异构体尺度的表征。这证明了这种新的在线连字符技术在复杂基质表征方面的巨大潜力。
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