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Dataset results
8 results for “non-target screening”
Non-Targeted Screening of Organic Compounds in Environmental and Biological Matrices Related to Children's Environmental Exposure in South Florida, 2022-2024
This dataset provides a comprehensive list of chemicals relevant to children’s exposure from both dietary and non-dietary sources, across five environmental and biological matrices: drinking water (n = 206), food (n = 203), urine (n = 183), soil (n = 178), and household dust (n = 164). Samples were collected between May 2022 and June 2024 in Miami-Dade and Broward counties, Florida. A non-targeted screening approach using high-resolution mass spectrometry (HRMS) coupled with liquid chromatography was employed for analysis, with matrix-specific preparation methods: online solid-phase extraction (SPE) for water and urine, QuEChERS for food, and accelerated solvent extraction (ASE) for soil and dust. Analyses were conducted in full-scan mode under both positive and negative electrospray ionization to maximize compound detection coverage. Compound identification was performed using Compound Discoverer software, incorporating spectral and structural databases such as mzCloud, ChemSpider, ClassyFire, and MassList. Annotations were based on exact mass, mass error threshold (<5ppm), predicted molecular formula, retention time alignment, isotopic pattern fit, MS/MS spectral similarity, and match confidence levels derived from integrated spectral libraries and database scoring algorithms. Quality assurance was maintained through the use of quality control (QC) samples across all matrices and analytical batches. The integration of non-targeted analysis, matrix-optimized extraction, and rigorous QA/QC practices makes this dataset a valuable resource for environmental exposomics, chemical risk assessment, and evidence-based public health policy development.
Non-target screening of organic compounds in offshore produced water by GC×GC-MS (associated data)
<p>Associated data for the manuscript titled "<em>Non-target screening of organic compounds in offshore produced water by GC×GC-MS</em>"</p> <p>Preprint doi://10.26434/chemrxiv.13317938</p> <p> </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>
Non-target screening of a Siberian ice core reveals changes in the pre-industrial to industrial organic aerosol composition
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Supplemantal tables for "A Non-targeted Proteomics Newborn Screening Platform for Genetic Disorders".
<p>Table S1 (List of proteins identified in DBS samples analyzed in the study).</p> <p>The list includes identified proteins with peptide and protein false discovery rates < 1%. Proteins shown in black are those identified by unique peptide sequences that were clearly distinguishable from others. Proteins shown in blue represent grouped master proteins. Proteins shown in grey represent grouped proteins. A quantitative value of “0” indicates that the protein was detected, but did not reach a level sufficient for quantification.</p> <p>Table S2 (Proteins identified in DBS samples that are listed in OMIM)</p> <p>List of proteins identified in every healthy newborn sample that are included in the OMIM database. The list includes identified proteins with peptide and protein false discovery rates < 1%. AD, autosomal dominant; AR, autosomal recessive; ARLOF, autosomal recessive loss of function; XL, X-linked; IUIS2022, 2022 Classification of Human Inborn Errors of Immunity by the International Union of Immunological Societies Expert Committee.</p>
Non-Targeted Screening of Contaminants of Emerging Concern in the Glen Valley Wastewater Treatment Plant, Botswana
<p>All raw data files associated with the manuscript titled "Non-Targeted Screening of Contaminants of Emerging Concern in the Glen Valley Wastewater Treatment Plant, Botswana". These include the quality control samples, blanks and wastewater samples analysed on a waters fusion orbitrap operation in positive mode while aquiring MS/MS data. LC data is also included. </p>
Ultraviolet photodissociation for non-target screening based identification of organic micro-pollutants in water samples
<p>Raw LC-HRMS data that was used for demonstrating the the use of the fragmentation technique ultraviolet photodissociation (UVPD) for the structural elucidation of organic micropollutants (OMPs) in water samples in combination with the 'uvpd' R-package (<a href="https://github.com/cpanse/uvpd/">https://github.com/cpanse/uvpd/</a>). The dataset consists of HCD and UVPD fragmentation data of reference standard samples acquired at various collision energies and reaction times, respectively. The analyses were performed with a Vanquish Horizon UHPLC system coupled to an Orbitrap Fusion Lumos Tribrid instrument with positive and negative ESI ionization. More analytical details are in Panse et al., Molecules, submitted.</p>
Data from: Screening sticky cards as a simple method for improving efficiency of Diaphorina citri (Hemiptera: Liviidae) monitoring and reducing non-target organisms
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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.