Publications

Automated Composition Assessment of Natural Extracts: Untargeted Mass Spectrometry-Based Metabolite Profiling Integrating Semiquantitative Detection Permalink

Published in Journal of Agricultural and Food Chemistry, 2023

Recommended citation: Rutz, A., Wolfender, J. L. (2023). Automated Composition Assessment of Natural Extracts: Untargeted Mass Spectrometry-Based Metabolite Profiling Integrating Semiquantitative Detection. Journal of Agricultural and Food Chemistry, 71 (46), 18010. https://doi.org/10.1021/acs.jafc.3c03099
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The LOTUS initiative for open knowledge management in natural products research Permalink

Published in eLife, 2021

Recommended citation: Rutz, A., Sorokina, M., Galgonek, J., Mietchen, D., Willighagen, E., Gaudry, A., Graham, J. G., Stephan, R., Page, R., Vondrášek, J., Steinbeck, C., Pauli, G. F., Wolfender, J. L., Bisson, J., & Allard, P. M. (2022). The LOTUS initiative for open knowledge management in natural products research. eLife, 11, e70780. https://doi.org/10.7554/eLife.70780
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Contributed publications:

2024

Untargeted metabolomics analyses to identify a new sweet compound released during post-fermentation maceration of wine.

A Sample-Centric and Knowledge-Driven Computational Framework for Natural Products Drug Discovery

MicrobeMASST: a taxonomically informed mass spectrometry search tool for microbial metabolomics data

2023

Comparative metabolomics of fungal foliar endophytes and their long-lived host Astrocaryum sciophilum: a model for exploring the chemodiversity of host-microbe interactions

Phytochemical study of Alzatea verticillata, the sole species belonging to the Alzateaceae family

Open and re-usable annotated mass spectrometry dataset of a chemodiverse collection of 1,600 plant extracts

2022

Metabolomics in Ecology and Bioactive Natural Products Discovery: Challenges and Prospects for a Comprehensive Study of the Specialised Metabolome

Unifying the identification of biomedical entities with the Bioregistry

Inventa: A computational tool to discover structural novelty in natural extracts libraries

Combining Activity Profiling with Advanced Annotation to Accelerate the Discovery of Natural Products Targeting Oncogenic Signaling in Melanoma

Targeted isolation of photoactive pigments from mushrooms yielded a highly potent new photosensitizer: 7,7′-biphyscion

2021

Feature-Based Molecular Networking—An Exciting Tool to Spot Species of the Genus Cortinarius with Hidden Photosensitizers

Drug Repurposing to Identify a Synergistic High-Order Drug Combination to Treat Sunitinib-Resistant Renal Cell Carcinoma

Molecular and Functional Analysis of Sunitinib-Resistance Induction in Human Renal Cell Carcinoma Cells

2020

Antiseizure potential of the ancient Greek medicinal plant Helleborus odorus subsp. cyclophyllus and identification of its main active principles

Insights on the Structural and Metabolic Resistance of Potato (Solanum tuberosum) Cultivars to Tuber Black Dot (Colletotrichum coccodes)

Phytochemical analysis of the methanolic leaves extract of Niedenzuella multiglandulosa (Malpighiaceae), a plant species toxic to cattle in Brazil

2019

Identification of Antifungal Compounds from the Root Bark of Cordia anisophylla J.S. Mill.

Doctoral thesis:

Integrative Analytical and Computational Strategies for Qualitative and Semi-quantitative Plant Metabolome Characterization

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