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Analytical Chemistry

Working Paper

Occurrence and Distribution of Pharmaceuticals and their Transformation Products in Luxembourgish Surface Waters

Randolph Singh, Adelene Lai, Jessy Krier, Todor Kondić, Philippe Diderich, Emma Schymanski

Version 1 posted 11 May 2021

281

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Analytical Chemistry

Working Paper

Non-Target Screening of Organic Compounds in Offshore Produced Water by GC×GC-MS

Sofie Nitsche Bergfors, Anh Khoa Huynh Ho, Annette Eva Jensen, Jonas Sundberg

Version 1 posted 07 December 2020

366

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1

Citations

Earth, Space, and Environmental Chemistry

Working Paper

PubChemLite plus Collision Cross Section (CCS) values for enhanced interpretation of non-target environmental data

Anjana Elapavalore, Dylan Ross, Valentin Groues, Dagny Aurich, Allison Krinsky, Sunghwan Kim, Paul Thiessen, Jian Zhang, James Dodds, Erin Baker, Evan Bolton, Libin Xu, Emma Schymanski

Version 1 posted 22 November 2024

217

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Theoretical and Computational Chemistry

Working Paper

Extraction of Chemical Structures from Literature and Patent Documents using Open Access Chemistry Toolkits: A Case Study with PFAS

Shadrack Barnabas, Timo Böhme, Stephen Boyer, Matthias Irmer, Christoph Ruttkies, Ian Wetherbee, Todor Kondic, Emma Schymanski, Lutz Weber

Version 3 posted 19 May 2022

1,670

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Analytical Chemistry

Working Paper

EnDiTrap: Pull-down-based pipeline for detection of endocrine-disrupting chemicals

Ludek Sehnal, Garry Codling, Marie Smutná, Roman Grabic, Klára Hilscherová

Version 1 posted 16 October 2024

79

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Analytical Chemistry

Working Paper

STRUCTURE CONFIRMATION, REACTIVITY, BACTERIAL MUTAGENICITY AND QUANTIFICATION OF 2,2,4-TRIBROMO-5-HYDROXYCYCLOPENT-4-ENE-1,3-DIONE IN DRINKING WATER

Davide Ciccarelli, Ben Lancaster, D. Christopher Braddock, Matteo Calvaresi, Miroslav Mišík, Siegfried Knasmuller, Edoardo Jun Mattioli, Francesco Zerbetto, Andrew J.P. White, Tim Marczylo, Timothy W. Gant, Leon Barron

Version 2 posted 17 May 2024

159

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Analytical Chemistry

Working Paper

PFΔScreen – An open-source tool for automated PFAS feature prioritization in non-target HRMS data

Jonathan Zweigle, Boris Bugsel, Joel Fabregat-Palau, Christian Zwiener

Version 1 posted 26 September 2023

507

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2

Citations

Refine Search

7 results in Non-target screening in Keywords: Non-target screening

Occurrence and Distribution of Pharmaceuticals and their Transformation Products in Luxembourgish Surface Waters

Non-Target Screening of Organic Compounds in Offshore Produced Water by GC×GC-MS

PubChemLite plus Collision Cross Section (CCS) values for enhanced interpretation of non-target environmental data

Extraction of Chemical Structures from Literature and Patent Documents using Open Access Chemistry Toolkits: A Case Study with PFAS

EnDiTrap: Pull-down-based pipeline for detection of endocrine-disrupting chemicals

STRUCTURE CONFIRMATION, REACTIVITY, BACTERIAL MUTAGENICITY AND QUANTIFICATION OF 2,2,4-TRIBROMO-5-HYDROXYCYCLOPENT-4-ENE-1,3-DIONE IN DRINKING WATER

PFΔScreen – An open-source tool for automated PFAS feature prioritization in non-target HRMS data

7 results in Keywords: Non-target screening