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12 results for “suspect screening”
Software and suspect database for: "A large scale multi-laboratory suspect screening of pesticide metabolites in human biomonitoring: From tentative annotations to verified occurrences"
<p>This upload contains the pesticide suspect list aggregated among the laboratories of work package 16 of the HBM4EU (https://www.hbm4eu.eu) project for a large-scale pesticide suspect screening and the resolving search templates for each pesticide. Additionally, we provide the used software version of MetAlign applied in this screening.</p>
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>
Dataset underlying the publication: "Organic contaminants in bio-based fertilizer treated soil: Target and suspect screening approaches" DOI: 10.1016/j.chemosphere.2023.139261
<p>Dataset underlying the publication "Organic contaminants in bio-based fertilizer treated soil: Target and suspect screening approaches" DOI: 10.1016/j.chemosphere.2023.139261.</p>
A suspect screening list of 1310 persistent and mobile (PM) candidates
<p>PM Suspect List from UFZ and HSF</p>
Suspect Screening and Non-targeted Analysis of Chemical Pollutants in Botswana's Aquatic Environments
<p>Raw HRMS data associated with the paper titled </p> <p><strong><span>"Suspect Screening and Non-targeted Analysis of Chemical Pollutants in Botswana’s Aquatic Environments"</span></strong></p>
Suspect Lists for Neurotoxicant Screening
<p>A range of lists for performing suspect screening of neurotoxicants, described in Table 1 of Schymanski <em>et al</em> (under revision), as well as the source data for the NEUROTOXINS list.</p> <p><a href="https://comptox.epa.gov/dashboard/chemical_lists/dnteffects">DNTEFFECTS</a> (96): Chemicals with data demonstrating effects on neurodevelopment</p> <p><a href="https://comptox.epa.gov/dashboard/chemical_lists/dntinvivo">DNTINVIVO</a> (33): A (non-exhaustive) list of compounds documented to trigger developmental neurotoxicity (DNT) in at least two different laboratories</p> <p><a href="https://comptox.epa.gov/dashboard/chemical_lists/dntpotneg">DNTPOTNEG</a> (41): Suggested potential negative controls for developmental neurotoxicity (DNT) assays. Statins can also be used, see <a href="https://comptox.epa.gov/dashboard/chemical_lists/statins">https://comptox.epa.gov/dashboard/chemical_lists/statins</a></p> <p><a href="https://comptox.epa.gov/dashboard/chemical_lists/humanneurotox">HUMANNEUROTOX</a> (190): A set of chemicals identified as <em>potential </em>neurotoxicants by the authors using literature, not necessarily active neurotoxicants.</p> <p><a href="https://comptox.epa.gov/dashboard/chemical_lists/neurotoxins">NEUROTOXINS</a> (511): A list of chemicals reported as neurotoxicants, compiled from public resources (see source file included here)</p> <p><a href="https://comptox.epa.gov/dashboard/chemical_lists/litminedneuro">LITMINED</a><a href="https://comptox.epa.gov/dashboard/chemical_lists/litminedneuro">NEURO</a> (1243): Chemicals associated with neurotoxicity compiled through systematic literature mining of PubMed using MeSH terms (node C10, subheadings “chemically induced”, “toxicity”, “poisoning”, or “adverse effects”) and associating these with single chemical substances.</p>
Deliverable D1.4 - Supplementary material : Dataset on CS#2 Danube Suspect Screening Results Table : H2020 PROMISCES project
<p>Additional information on PROMISCES deliverable D1.4. Data set with list of substances identified in samples from the Danube catchment between Vienna and Budapest (CS#2) by suspect screening and database comparison and corresponding peak intensities. These data are non-target data, the measured intensities do not correspond to concentrations.</p>
Suspect and Nontarget Screening Reveal the Underestimated Risks of Antibiotic Transformation Products in Wastewater Treatment Plant Effluents
<p>This repository is supplementary to the manuscript "Suspect and Nontarget Screening Reveal the Underestimated Risks of Antibiotic Transformation Products in Wastewater Treatment Plant Effluents" (DOI: 10.1021/acs.est.3c05008). This repository contains scripts of TPs collection and QSRR model as well the generated data set.</p><p>We compiled a suspect list of antibiotics containing 663 compounds. Corresponding suspect TPs were collected in silico with BioTransformer 3.0 and through a library search from PubChem data, which were both performed in batch mode using the patRoon 2.0 package. After merging results and removing duplicates, 88,823 TPs remained for suspect screening. Quantitative-structure retention relationship (QSRR) models were developed for the suspect antibiotics and TPs using target compounds to predict their retention times with the Retip package.</p>
Screening for Coronary Artery Disease USing Primary Evaluation With Coronary CTA in Aviation Medicine (SUSPECT)
ClinicalTrials.gov study NCT05508893. IPD Sharing: NO. Countries: 1. Publications: 1.
Evaluation of High Throughput Sequencing for Screening of Pathogens in Immunocompromised Patients With Suspected Infectious Disease.
ClinicalTrials.gov study NCT02007642. IPD Sharing: Not stated. Countries: 1. Publications: 0.
Screening for Fibromyalgia Among Patients With Suspected Endometriosis
ClinicalTrials.gov study NCT07037251. IPD Sharing: NO. Countries: 1. Publications: 0.
Screening of virus infection in suspected malaria patients in the city of Manaus in the Amazon region of Brazil
GEO Series GSE168657. Homo sapiens; Viruses. 95 samples. Type: Other.
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