Application of feature-based molecular networking in the field of algal research with special focus on mycosporine-like amino acids

Abstract

Marine red algae have been known as an excellent source for natural sunscreens and antioxidants for a long time, which outlines their potential for various medical and cosmeceutical applications. This is due to their synthesis of unique secondary metabolites to shield themselves from high levels of UV-A and -B radiation encountered in their natural habitats. In this study, a comprehensive and contemporary way for the detection, visualization, and dereplication of algal natural products with special focus on mycosporine-like amino acids (MAAs) is shown, employing HR-MS/MS metabolomics. 33 crude algal extracts were explored using ultra-high-performance liquid chromatography (UHPLC) hyphenated to orbitrap high-resolution tandem mass spectroscopy (HRMS2). Acquired raw data, subjected to pretreatment and spectral organization, could subsequently be implemented in the Global Natural Products Social (GNPS) workflow, whereby a feature based molecular network (FBMN) was created and visualized in Cytoscape. This FBMN was matched against an in-house as well as open source library on the GNPS platform and additionally enhanced by chemotaxonomic classification software and spectra of standard MAAs, as well as further information layers covering e.g. physicochemical properties, taxonomy, and fragmentation behavior. Based on the integration of the latest in silico annotation tools (SIRIUS, CANOPUS, MSNovelist) as well as already published fragmentation patterns of MAAs, structures for known compounds could be corroborated as well as those for novel substances proposed. This offers an interesting and state-of-the-art approach towards the identification and classification of known and new MAAs.

A critical review of soil algae as a crucial soil biological component of high ecological and economic significance

“…Therefore, in the future, an emphasis on integrated approaches in the diversity surveys of algae in soils is needed (Kabirnataj et al., 2020; Mikhailyuk et al., 2022; Mikhailyuk, Glaser, et al., 2019; Saraf et al., 2018). Additionally, molecular methods such as HR‐MS/MS metabolomics have been used to screen rare metabolites in microalgae (Zwerger et al., 2023), and these methods will be very useful in identifying soil algae rich in economically valuable compounds.…”

Biotechnological Potential of Macroalgae during Seasonal Blooms for Sustainable Production of UV-Absorbing Compounds

“…The different HPLC and MS techniques improved the discovery and characterization of MAAs, especially when purified MAAs were characterized by nuclear magnetic resonance (NMR) [173,197]. The use of ultrahigh-performance liquid chromatography (UHPLC) was also applied in MAA analyses [198], combined with hyphenated to orbitrap high-resolution tandem mass spectroscopy for feature-based molecular networking characterization and classification of MAAs, which is one of the most recent advancements in proteomics [199]. This approach incorporates the published MAA fragmentation patterns and uses in silico annotation tools that allow for more accurate identification, discovery, and classification of MAAs [199].…”