Harmonized quality assurance/quality control provisions to assess completeness and robustness of MS1 data preprocessing for LC-HRMS-based suspect screening …
Non-targeted and suspect screening analysis using liquid chromatography coupled to high-
resolution mass spectrometry (LC-HRMS) holds great promise to comprehensively …
resolution mass spectrometry (LC-HRMS) holds great promise to comprehensively …
qBinning: data quality-based algorithm for automized ion chromatogram extraction from high-resolution mass spectrometry
M Reuschenbach, F Drees, TC Schmidt… - Analytical …, 2023 - ACS Publications
Due to the complexity and volume of data generated through non-target screening (NTS)
using chromatographic couplings with high-resolution mass spectrometry, automized …
using chromatographic couplings with high-resolution mass spectrometry, automized …
Is nontarget analysis ready for regulatory application? Influence of peak-picking algorithms on data analysis
B Schulze, AL Heffernan, S Samanipour… - Analytical …, 2023 - ACS Publications
The use of peak-picking algorithms is an essential step in all nontarget analysis (NTA)
workflows. However, algorithm choice may influence reliability and reproducibility of results …
workflows. However, algorithm choice may influence reliability and reproducibility of results …
Critical review on data processing algorithms in non-target screening: challenges and opportunities to improve result comparability
G Renner, M Reuschenbach - Analytical and Bioanalytical Chemistry, 2023 - Springer
Non-target screening (NTS) is a powerful environmental and analytical chemistry approach
for detecting and identifying unknown compounds in complex samples. High-resolution …
for detecting and identifying unknown compounds in complex samples. High-resolution …
qPeaks: A Linear Regression-Based Asymmetric Peak Model for Parameter-Free Automatized Detection and Characterization of Chromatographic Peaks in Non …
M Reuschenbach, F Drees, MS Leupold… - Analytical …, 2024 - ACS Publications
We present qPeaks (quality peaks), a novel, user-parameter-free algorithm for peak
detection and peak characterization applicable to chromatographic data. The algorithm is …
detection and peak characterization applicable to chromatographic data. The algorithm is …
Revolutionizing Indigo-Dyed Fabric Identification: A Novel Sulfonation Approach for Authenticity and Quality Assurance
P Sakong, W Thosaikham - Trends in Sciences, 2024 - tis.wu.ac.th
This study explores a novel sulfonation method for analyzing blue-dyed fabrics containing
reactive, direct and indigo dyes. The proposed method accurately distinguishes indigo …
reactive, direct and indigo dyes. The proposed method accurately distinguishes indigo …
Finnee 2024–a Matlab toolbox for untargeted analysis of LC-HRMS datasets with MS1 scans acquired as continuous scans.
G Erny - 2024 - chemrxiv.org
Metabolite identification and quantification in biological samples are crucial for
understanding biochemical processes, disease mechanisms, and biomarker discovery …
understanding biochemical processes, disease mechanisms, and biomarker discovery …
[引用][C] qAlgorithms: A parameter-free, quality-based data processing routine for non-target-screening with high-resolution mass spectrometry.
M Reuschenbach - Dissertation, Duisburg, Essen …
[引用][C] Evaluation and Implementation of Methods to increase Comprehensiveness of Non-Target Analysis
B Schulze - 2023 - espace.library.uq.edu.au
Non-target analysis (NTA), the analysis of “everything” in a sample without any a-priori
knowledge, is gaining popularity for the analysis of environmental samples. Since it is still a …
knowledge, is gaining popularity for the analysis of environmental samples. Since it is still a …