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  1. From target analysis to suspect and non-target screening of endocrine-disrupting compounds in human urine

    In the present work, a target analysis method for simultaneously determining 24 diverse endocrine-disrupting compounds (EDCs) in urine...

    Mikel Musatadi, Claudia Caballero, ... Olatz Zuloaga in Analytical and Bioanalytical Chemistry
    Article Open access 29 July 2022
  2. Non-target screening in water analysis: recent trends of data evaluation, quality assurance, and their future perspectives

    This trend article provides an overview of recent advancements in Non-Target Screening (NTS) for water quality assessment, focusing on new methods in...

    Maryam Vosough, Torsten C. Schmidt, Gerrit Renner in Analytical and Bioanalytical Chemistry
    Article Open access 01 February 2024
  3. A stochastic approach for parameter optimization of feature detection algorithms for non-target screening in mass spectrometry

    Feature detection plays a crucial role in non-target screening (NTS), requiring careful selection of algorithm parameters to minimize false positive...

    Mohammad Sadia, Youssef Boudguiyer, ... Saer Samanipour in Analytical and Bioanalytical Chemistry
    Article Open access 12 July 2024
  4. Critical review on data processing algorithms in non-target screening: challenges and opportunities to improve result comparability

    Non-target screening (NTS) is a powerful environmental and analytical chemistry approach for detecting and identifying unknown compounds in complex...

    Gerrit Renner, Max Reuschenbach in Analytical and Bioanalytical Chemistry
    Article Open access 29 June 2023
  5. Non-target estrogenic screening of 60 pesticides, six plant protection products, and tomato, grape, and wine samples by planar chromatography combined with the planar yeast estrogen screen bioassay

    For non-target residue analysis of xenoestrogens in food, sophisticated chromatographic–mass spectrometric techniques lack in biological effect...

    Annabel Mehl, Sophia Seiferling, Gertrud E. Morlock in Analytical and Bioanalytical Chemistry
    Article Open access 06 March 2023
  6. Suspect and non-target screening of chemicals in clothing textiles by reversed-phase liquid chromatography/hybrid quadrupole-Orbitrap mass spectrometry

    The global manufacturing of clothing is usually composed of multistep processes, which include a large number of chemicals. However, there is...

    Josefine Carlsson, Francesco Iadaresta, ... Ulrika Nilsson in Analytical and Bioanalytical Chemistry
    Article Open access 16 November 2021
  7. Target, suspect and non-target screening analysis from wastewater treatment plant effluents to drinking water using collision cross section values as additional identification criterion

    The anthropogenic entry of organic micropollutants into the aquatic environment leads to a potential risk for drinking water resources and the...

    Vanessa Hinnenkamp, Peter Balsaa, Torsten C. Schmidt in Analytical and Bioanalytical Chemistry
    Article Open access 25 March 2021
  8. PFΔScreen — an open-source tool for automated PFAS feature prioritization in non-target HRMS data

    Per- and polyfluoroalkyl substances (PFAS) are a huge group of anthropogenic chemicals with unique properties that are used in countless products and...

    Jonathan Zweigle, Boris Bugsel, ... Christian Zwiener in Analytical and Bioanalytical Chemistry
    Article Open access 30 November 2023
  9. Towards non-target proactive food safety: identification of active compounds in convenience tomato products by ten-dimensional hyphenation with integrated simulated gastrointestinal digestion

    Current strategies for non-target food screening focus mainly on known hazardous chemicals (adulterants, residues, contaminants, packaging migrants,...

    Tamara Schreiner, Naila M. Eggerstorfer, Gertrud E. Morlock in Analytical and Bioanalytical Chemistry
    Article Open access 29 March 2023
  10. Present-Day Practice of Non-Target Chemical Analysis

    Abstract

    We review the main techniques, procedures, and information products used in non-target analysis (NTA) to reveal the composition of...

    B. L. Milman, I. K. Zhurkovich in Journal of Analytical Chemistry
    Article Open access 01 May 2022
  11. Screening for New Metabolites from Marine Microorganisms

    This article gives an overview of current analysis techniques for the screening and the activity analysis of metabolites from marine...
    Thomas Schweder, Ulrike Lindequist, Michael Lalk in Marine Biotechnology I
    Chapter
  12. Immobilized GPCRs in Compound Screening

    Screening the bioactive compounds targeting GPCRs is a pre-requisite step for the development of new drugs associated with the receptor. Synthetic...
    **nfeng Zhao, Qian Li, ... Jia Quan in G Protein-Coupled Receptors
    Chapter 2023
  13. Complementary methods for structural assignment of isomeric candidate structures in non-target liquid chromatography ion mobility high-resolution mass spectrometric analysis

    Non-target screening with LC/IMS/HRMS is increasingly employed for detecting and identifying the structure of potentially hazardous chemicals in the...

    Masoumeh Akhlaqi, Wei-Chieh Wang, ... Anneli Kruve in Analytical and Bioanalytical Chemistry
    Article Open access 15 July 2023
  14. patRoon: open source software platform for environmental mass spectrometry based non-target screening

    Mass spectrometry based non-target analysis is increasingly adopted in environmental sciences to screen and identify numerous chemicals...

    Rick Helmus, Thomas L. ter Laak, ... Emma L. Schymanski in Journal of Cheminformatics
    Article Open access 06 January 2021
  15. Efficient PFAS prioritization in non-target HRMS data: systematic evaluation of the novel MD/C-m/C approach

    Non-target screening (NTS) based on high-resolution mass spectrometry (HRMS) is necessary to comprehensively characterize per- and polyfluoroalkyl...

    Jonathan Zweigle, Boris Bugsel, Christian Zwiener in Analytical and Bioanalytical Chemistry
    Article Open access 24 February 2023
  16. Performance of free-flow field-step electrophoresis as cleanup step for the non-target analysis of environmental water samples

    For the analysis of low concentrations of micropollutants in environmental water samples, efficient sample enrichment and cleanup are necessary to...

    Tobias Rösch, Gerhard Weber, ... Carolin Huhn in Analytical and Bioanalytical Chemistry
    Article Open access 31 January 2022
  17. Bio-Specific Extraction/Receptor Fishing for Screening of Active Components in Chinese Medicines

    In this chapter, the principles and processes of bio-specific extraction/receptor fishing, such as equilibrium dialysis, centrifugation, and...
    Hao Zhang, Feng-Qing Yang, Shao-** Li in Quality Control of Chinese Medicines
    Chapter 2024
  18. Molecular Docking for Virtual Screening of Potential Active Ingredients in Chinese Medicines

    Traditional Chinese medicine (TCM) plays a vital role in the prevention and treatment of various diseases for thousands of years. It is of great...
    Yuan-yuan **e, Shu-mei Wang in Quality Control of Chinese Medicines
    Chapter 2024
  19. Loop-mediated isothermal amplification targeting proteinase inhibitor II terminator sequence: an efficient approach for screening of genetically modified crops

    Proteinase inhibitor II ( T-pinII ) has been employed as terminator sequence in 25% of globally approved genetically modified (GM) crops (maize,...

    Monika Singh, Paramita Palit, ... Gurinderjit Randhawa in European Food Research and Technology
    Article 11 June 2023
  20. Efficient and knowledge-based hierarchal virtual screening applied to identify potential inhibitors of cholinesterase enzyme

    Cholinesterases (ChEs) are pivotal in the pathophysiology of various neuromuscular diseases, including Parkinson’s disease, Alzheimer’s disease,...

    Uzma Mahmood, Seher Iftikhar, ... Reaz Uddin in Chemical Papers
    Article 08 April 2024
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