PMID- 31149811 OWN - NLM STAT- MEDLINE DCOM- 20200925 LR - 20200925 IS - 1520-6882 (Electronic) IS - 0003-2700 (Linking) VI - 91 IP - 14 DP - 2019 Jul 16 TI - Investigating the Potential of Ion Mobility-Mass Spectrometry for Microalgae Biomass Characterization. PG - 9266-9276 LID - 10.1021/acs.analchem.9b02172 [doi] AB - Algae biomass is formed by an extremely complex set of metabolites, and its molecular characterization has been very challenging. We report the characterization of microalgae extracts via traveling wave ion mobility-mass spectrometry (TWIM-MS) by two different analysis strategies. First, the extracts were analyzed by direct infusion electrospray ionization (ESI) with no previous chromatographic separation (DI-ESI-TWIM-MS). Second, the samples were screened for metabolites and lipids using an untargeted high-throughput method that employs ultrahigh-performance liquid chromatography (UHPLC) using data-independent analysis (DIA) - MS(E) (UHPLC-HDMS(E)). Sixteen different microalgae biomasses were evaluated by both strategies. DI-ESI-TWIM-MS was able, via distinct drift times, to set apart different classes of metabolites, with the differences in the profiles of each microalga readily evident. With the UHPLC-HDMS(E) approach, 1251 different compounds were putatively annotated across 16 samples with 210 classified as lipids. From the normalized abundance for each annotated compound category, a detailed profiling in terms of metabolites, lipids, and lipid classes of each sample was performed. The reported workflow represents a powerful tool to determine the most suitable biotechnological applications for a given alga type and may allow for real-time monitoring of the algae composition distribution as a function of growth conditions, feedstocks, and the like. The determination of collision cross section results in improved confidence in the identification of triacylglycerols in samples, highly applicable to biofuels production. The two analysis strategies explored in this work offer powerful tools for the biomass industry by aiding in the identification of ideal strains and culture conditions for a specific application, saving analysis time and facilitating identification of a large number of constituents at once. FAU - Fasciotti, Maira AU - Fasciotti M AUID- ORCID: 0000-0002-6358-6067 AD - National Institute of Metrology, Quality and Technology (INMETRO), Division of Chemical and Thermal Metrology , Laboratory of Organic Analysis , 25250-020 , Duque de Caxias , Rio de Janeiro , Brazil. AD - ThoMSon Mass Spectrometry Laboratory, Institute of Chemistry , University of Campinas - UNICAMP , 13083-970 Campinas , Sao Paulo , Brazil. FAU - Souza, Gustavo H M F AU - Souza GHMF AD - MS Applications and Development Laboratory , Waters Corporation , 06455-000 Barueri , Sao Paulo , Brazil. FAU - Astarita, Giuseppe AU - Astarita G AD - Department of Biochemistry and Molecular and Cellular Biology , Georgetown University , Washington DC 20007 , United States. FAU - Costa, Ingrid C R AU - Costa ICR AD - National Institute of Metrology, Quality and Technology (INMETRO), Division of Chemical and Thermal Metrology , Laboratory of Organic Analysis , 25250-020 , Duque de Caxias , Rio de Janeiro , Brazil. FAU - Monteiro, Thays V C AU - Monteiro TVC AD - National Institute of Metrology, Quality and Technology (INMETRO), Division of Chemical and Thermal Metrology , Laboratory of Organic Analysis , 25250-020 , Duque de Caxias , Rio de Janeiro , Brazil. FAU - Teixeira, Claudia M L L AU - Teixeira CMLL AD - Microalgal Biotechnology Laboratory , National Institute of Technology (INT) , 20081-312 Rio de Janeiro , Rio de Janeiro , Brazil. FAU - Eberlin, Marcos N AU - Eberlin MN AD - Mackenzie Presbyterian University , School of Engineering , 01302-907 Sao Paulo , Sao Paulo , Brazil. FAU - Sarpal, Amarijt S AU - Sarpal AS AD - National Institute of Metrology, Quality and Technology (INMETRO), Division of Chemical and Thermal Metrology , Laboratory of Organic Analysis , 25250-020 , Duque de Caxias , Rio de Janeiro , Brazil. LA - eng PT - Journal Article PT - Research Support, Non-U.S. Gov't DEP - 20190624 PL - United States TA - Anal Chem JT - Analytical chemistry JID - 0370536 RN - 0 (Lipids) SB - IM MH - *Biomass MH - Chromatography, High Pressure Liquid MH - Ion Mobility Spectrometry/*methods MH - Lipidomics/methods MH - Lipids/*analysis MH - *Metabolome MH - Metabolomics/methods MH - Microalgae/*chemistry MH - Spectrometry, Mass, Electrospray Ionization/*methods EDAT- 2019/06/01 06:00 MHDA- 2020/09/26 06:00 CRDT- 2019/06/01 06:00 PHST- 2019/06/01 06:00 [pubmed] PHST- 2020/09/26 06:00 [medline] PHST- 2019/06/01 06:00 [entrez] AID - 10.1021/acs.analchem.9b02172 [doi] PST - ppublish SO - Anal Chem. 2019 Jul 16;91(14):9266-9276. doi: 10.1021/acs.analchem.9b02172. Epub 2019 Jun 24.