The first Database of Water Odorous Compounds is available online. The database was developed in the frame of WaterTOP (COST Action CA18225). The project was coordinated by Dr. Andreas Dunkel of the Leibniz Institute for Food Systems Biology at the Technical University of Munich (Lebniz-LSB@TUM). It is a fully functional database following the FAIR principles. See the contributors here. The database is complemented by the Water Taste & Odor Wheel (TOW), translated in many languages, a project coordinated by Dr. Ricard Devesa of the
Universitat Politècnica de Catalunya.
WaterTOP is a European Network on Water Taste & Odor (T&O) that was funded by COST (CA18225) and was coordinated by our group. In the "Products" page of the WaterTOP website you can find training materials, conference presentations, posters and other resources related to water T&O.
We find that open and free software and web-based platforms for MS data analysis are more efficient and promote virtual collaborations. We usually convert MS datasets to mzXML/mzML formats using vendor's sofware (e.g., DataAnalysis, Bruker) or MSconvert (ProteoWizard). In this way, we can analyze datasets from various MS instruments and vendors. We pre-process the converted files in MZmine (peak picking, deconvolution, alignment etc). We import the resulting feature tables and the dataset metadata into GNPS/GNPS2 for feature-based molecular networking (FBMN) and library searches. We also import the MS2 spectra file into SIRIUS for de novo molecular formulae annotations, structural elucidation using fragmentation trees and machine learning classification (CANOPUS, ZODIAC, CSI:fingerID). We visualize the combined results in Cytoscape. We use FBMNstats for multivariate statistics and detection of biomarkers. A list of the computational tools we use with associated links and papers can be found here (note that it is updated periodically). A fantastic resource with video trainings is the YouTube channel of the Functional Metabolomics Lab.
Edited by Triantafyllos Kaloudis, Anastasia Hiskia, Theodoros Triantis. April 2022.
https://doi.org/10.3390/books978-3-0365-3921-8
Open access. MDPI Books
Editor(s):Anastasia E. Hiskia, Theodoros M. Triantis, Maria G. Antoniou, Triantafyllos Kaloudis, Dionysios D. Dionysiou. First published:17 July 2020.
DOI:10.1002/9781118928677
© 2020 John Wiley & Sons Ltd.
Editor(s):Jussi Meriluoto, Lisa Spoof, Geoffrey A. Codd.
First published:20 December 2016. DOI:10.1002/9781119068761. © 2017 John Wiley & Sons, Ltd.
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