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3 results for “Effect-directed analysis”
A High-Performance Data Processing Workflow to Incorporate Effect-Directed Analysis in Suspect and Nontarget Screening [Feature Tables]
<p>This repository is supplementary to the manuscript "High-Performance Data Processing Workflow Incorporating Effect-Directed Analysis for Feature Prioritization in Suspect and Nontarget Screening" (DOI: 10.1021/acs.est.1c04168) and includes an overview of all measured chemical features and annotations in a waste water treatment plant (WWTP) effluent, dust standard reference material (SRM) 2585 and fetal calf serum (FCS) sample.</p> <p>Samples were measured using liquid chromatography - high resolution mass spectrometry (LC-HRMS) and fractionated into 80 micro-fractions encompassing a couple of seconds from the chromatographic run. The fractions were tested for their bioactivity in the antibiotics and the TTR-binding assay. The samples were processed separately using one, two, and three technical replicates in positive and negative ion mode. The first excel sheet includes all measured chemical features, suspect screening annotation, and corresponding bioassay responses. The second sheet includes all possible isomer annotations from the CECscreen database (DOI: <a href="https://doi.org/10.5281/zenodo.3956586">10.5281/zenodo.3956586</a>) for the annotated features. </p>
Identifying Unexpected Neurotoxicity Drivers with Acetylcholinesterase Inhibition by Virtual Effect-Directed Analysis in Nationwide Estuarine Waters
<p><span>Neurotoxicity is frequently observed in the global aquatic environment, </span><span>threatening aquatic ecosystems and human health</span><span>. </span><span>However, </span><span>a very limited proportion of neurotoxic effects (~1%) has been explained by known chemicals of concern. Here, we integrated</span><span> machine learning, nontargeted analysis, and <em>in vitro</em> biotesting</span><span> to identify neurotoxic drivers of acetylcholinesterase (AChE) inhibition in estuarine waters along the coastline of China. Machine learning was used as a virtual fractionation tool to reduce the complexity of chemical mixtures, thus guiding nontargeted screening of AChE inhibitors. Ultimately, sixty chemicals with diverse </span><span>known and presently unknown</span><span> structures were identified, explaining 82.1% of the observed AChE inhibition </span><span>in estuarine water samples</span><span>. Polyunsaturated fatty acids were unexpectedly found to be neurotoxic drivers, accounting for 80.5% of the overall effect. This proof-of-concept study demonstrates that our approach enables rapid and comprehensive screening of </span><span>causative organic pollutants</span><span> </span><span>associated with various <em>in vitro</em> endpoints </span><span>for large-scale monitoring of water quality</span><span>.</span></p>
Identification of Source Specific Androgenicity Drivers Using High-Throughput Effect-Directed Analysis
<p>Supplementary Material for the Master Thesis entitled: Identification of Source Specific Toxicity Drivers<br>Using High-Throughput Effect-Directed Analysis by Aset Muratuly. Supervised by Dr. Iker Alvarez-Mora and Dr. Melis Muz</p>
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Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
Annotated Behaviour and Observability Dataset (ABODe)
ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.
DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.