Sietske Grijseels,
Terje Vasskog,
Pia J. Heinsvig,
Torbjørn Norberg Myhre,
Terkel Hansen,
Marie Mardal
:
Validation of two LC–HRMS methods for large-scale untargeted metabolomics of serum samples: Strategy to establish method fitness-for-purpose
Journal of Chromatography A 2024
ARKIV /
DOI
Marie Mardal,
Petur W. Dalsgaard,
Brian S. Rasmussen,
Kristian Linnet,
Christian B. Mollerup
:
Scalable Analysis of Untargeted LC-HRMS Data by Means of SQL Database Archiving
Pia Heinsvig,
Carolina Noble,
Petur Dalsgaard,
Marie Mardal
:
Forensic drug screening by liquid chromatography hyphenated with high-resolution mass spectrometry (LC-HRMS)
TrAC. Trends in analytical chemistry 2023
ARKIV /
DOI
David Fabregat-Safont,
María Mata-Pesquera,
Manuela Barneo-Muñoz,
Ferran Martinez-Garcia,
Marie Mardal,
Anders Bork Davidsen
et al.:
In-depth comparison of the metabolic and pharmacokinetic behaviour of the structurally related synthetic cannabinoids AMB-FUBINACA and AMB-CHMICA in rats
Communications Biology 2022
DOI
Pan Meiru,
Rasmussen Brian Schou,
Dalsgaard Petur Weihe,
Nielsen Marie Katrine Klose,
Mollerup Christian Brinch,
Nedahl Michael
et al.:
A New Strategy for Efficient Retrospective Data Analyses for Designer Benzodiazepines in Large LC-HRMS Datasets
Marie Mardal,
Ole Martin Fuskevåg,
Petur Weihe Dalsgaard
:
Comprehensive UHPLC-HR-MSE screening workflow optimized for use in routine laboratory medicine: Four workflows in one analytical method
Journal of Pharmaceutical and Biomedical Analysis 2021
DOI
David Fabregat-Safont,
Marie Mardal,
Juan V. Sancho,
Félix Hernández,
Kristian Linnet,
Maria Ibáñez
:
Metabolic profiling of four synthetic stimulants, including the novel indanyl-cathinone 5-PPDi, after human hepatocyte incubation
Journal of Pharmaceutical Analysis 2020
DOI
David Fabregat‐Safont,
Marie Mardal,
Carolina Noble,
Annelies Cannaert,
Christophe P. Stove,
Juan V. Sancho
et al.:
Comprehensive investigation on synthetic cannabinoids: Metabolic behavior and potency testing, using 5F-APP-PICA and AMB-FUBINACA as model compounds
Drug Testing and Analysis 2019
DOI
Anders Bork Davidsen,
Marie Mardal,
Kristian Linnet
:
In Vitro Metabolism and Hepatic Intrinsic Clearance of the Synthetic Cannabinoid Receptor Agonist JWH-122 and Its Four ω-Halogenated Analogues
Konstantina S Diamantis,
Reeza Aalizadeh,
Nikifores Alygizakis,
Aikaterini Galani,
Marie Mardal,
Nikolaos S. Thomaidis
:
Wide-scope target and suspect screening methodologies to investigate the occurrence of new psychoactive substances in influent wastewater from Athens
Science of the Total Environment 2019
DOI
David Fabregat-Safont,
Marie Mardal,
Carolina Noble,
Annelies Cannaert,
Christopher P Stove,
Juan V Sancho
et al.:
Comprehensive investigation on synthetic cannabinoids: Metabolic behavior and potency testing, using 5F‐APP‐PICA and AMB‐FUBINACA as model compounds
Drug Testing and Analysis 2019
DOI
Marie Mardal,
Mette Findal Andreasen,
Christian Brinch Mollerup,
Peter Stockham,
Rasmus Telving,
Nikolaos S. Thomaidis
et al.:
HighResNPS.com: An Online Crowd-Sourced HR-MS Database for Suspect and Non-targeted Screening of New Psychoactive Substances
Journal of Analytical Toxicology 2019
DOI
Anders Bork Davidsen,
Marie Mardal,
Niels Bjerre Holm,
Anne Katrine Andreasen,
Sys Stybe Johansen,
Carolina Noble
et al.:
Ketamine analogues: Comparative toxicokinetic in vitro–in vivo extrapolation and quantification of 2-fluorodeschloroketamine in forensic blood and hair samples
Journal of Pharmaceutical and Biomedical Analysis 18. December 2019
DOI
Marie Mardal,
Pieter Annaert,
Carolina Noble,
Marlies Oorts,
Kristian Linnet
:
Metabolism of the synthetic cannabinoid 5F-PY-PICA by human and rat hepatocytes and identification of biliary analytical targets by directional efflux in sandwich-cultured rat hepatocytes using UHPLC-HR-MS/MS
Journal of Pharmaceutical and Biomedical Analysis 2018
DOI
Christian Brinch Mollerup,
Marie Mardal,
Petur Weihe Dalsgaard,
Kristian Linnet,
Leon P. Barron
:
Prediction of collision cross section and retention time for broad scope screening in gradient reversed-phase liquid chromatography-ion mobility-high resolution accurate mass spectrometry
Journal of Chromatography A 2018
DOI
Marie Mardal,
Sys Stybe Johansen,
Anders Bork Davidsen,
Rasmus Telving,
Jakob R Jornild,
Petur Weihe Dalsgaard
et al.:
Postmortem analysis of three methoxyacetylfentanyl-related deaths in Denmark and in vitro metabolite profiling in pooled human hepatocytes
Forensic Science International 2018
DOI
Carolina Noble,
Niels Bjerre Holm,
Marie Mardal,
Kristian Linnet
:
Bromo-dragonfly, a psychoactive benzodifuran, is resistant to hepatic metabolism and potently inhibits monoamine oxidase A
Toxicology Letters 2018
DOI
Christian Brinch Mollerup,
Brian Schou Rasmussen,
Sys Stybe Johansen,
Marie Mardal,
Kristian Linnet,
Petur Weihe Dalsgaard
:
Retrospective analysis for valproate screening targets with liquid chromatography–high resolution mass spectrometry with positive electrospray ionization: An omics‐based approach
Drug Testing and Analysis 2018
DOI
Marie Mardal,
Frank Møller Aarestrup,
Brian Schou Rasmussen,
Christian Brinch Mollerup,
Petur Weihe Dalsgaard,
Kristian Linnet
:
Analytical Profiling of Airplane Wastewater - a New Matrix for Mapping Worldwide Patterns of Drug Use and Abuse
Scandinavian Journal of Forensic Science 2017
DOI
Marie Mardal,
Sys Stybe Johansen,
Ragnar Thomsen,
Kristian Linnet
:
Advantages of analyzing postmortem brain samples in routine forensic drug screening—Case series of three non-natural deaths tested positive for lysergic acid diethylamide (LSD)
Forensic Science International 2017
DOI
Marie Mardal,
Markus Bischoff,
Maria Ibanez,
Ulla Ruffing,
Felix Hernandez,
Markus R Meyer
:
Microbial biotransformation of five pyrrolidinophenone‐type psychoactive substances in wastewater and a wastewater isolated Pseudomonas putida strain
Drug Testing and Analysis 2017
DOI
Erika Castrignano,
Marie Mardal,
Axel Rydevik,
Bram Miserez,
John Ramsey,
Trevor Shine
et al.:
A new approach towards biomarker selection in estimation of human exposure to chiral chemicals: a case study of mephedrone
Scientific Reports 2017
DOI
Marie Mardal,
Juliet Kinyua,
Pedram Ramin,
Bram Miserez,
Alexander L. N. van Nuijs,
Adrian Covaci
et al.:
Screening for illicit drugs in pooled human urine and urinated soil samples and studies on the stability of urinary excretion products of cocaine, MDMA, and MDEA in wastewater by hyphenated mass spectrometry techniques
Drug Testing and Analysis 2016
DOI
Christian Brinch Mollerup,
Petur Weihe Dalsgaard,
Marie Mardal,
Kristian Linnet
:
Targeted and non‐targeted drug screening in whole blood by UHPLC‐TOF‐MS with data‐independent acquisition
Drug Testing and Analysis 2016
DOI
Carolina Noble,
Marie Mardal,
Niels Bjerre Holm,
Sys Stybe Johansen,
Kristian Linnet
:
In vitro studies on flubromazolam metabolism and detection of its metabolites in authentic forensic samples
Drug Testing and Analysis 2016
DOI
Marie Mardal,
Emma Gracia-Lor,
Svenja Leibnitz,
Sara Castiglioni,
Markus R. Meyer
:
Toxicokinetics of new psychoactive substances: plasma protein binding, metabolic stability, and human phase I metabolism of the synthetic cannabinoid WIN 55,212‐2 studied using in vitro tools and LC‐HR‐MS/MS
Drug Testing and Analysis 2016
DOI
Marie Mardal,
Bram Miserez,
Richard Bade,
Tania Portoles,
Markus Bischoff,
Felix Hernandez
et al.:
3-Fluorophenmetrazine, a fluorinated analogue of phenmetrazine: Studies on in vivo metabolism in rat and human, in vitro metabolism in human CYP isoenzymes and microbial biotransformation in Pseudomonas Putida and wastewater using GC and LC coupled to (HR)-MS techniques
Journal of Pharmaceutical and Biomedical Analysis 2016
DOI
Marie Mardal,
Markus R Meyer
:
Studies on the microbial biotransformation of the novel psychoactive substance methylenedioxypyrovalerone (MDPV) in wastewater by means of liquid chromatography-high resolution mass spectrometry/mass spectrometry
Science of the Total Environment 2014
DOI
Marie Mardal,
Benjamin Ricaud,
Tetiana Lutchyn
:
Improving properties prediction with data preprocessing, ML, and GNN: from 2D to 3D small molecule structures
2024
Marie Mardal,
Brian Schou Rasmussen,
Kristian Linnet,
Christian Brinch Mollerup
:
Scalable analysis of untargeted LC-HRMS data by means of SQL database archiving
2023
Tetiana Lutchyn,
Benjamin Ricaud,
Marie Mardal,
Michael Nedahl
:
Analysing drugs properties using mass spectrometry and molecular structure
2023
Marie Mardal
:
A New Strategy for Efficient Retrospective Data Analyses for Designer Benzodiazepines in Large LC-HRMS Datasets
2022
Sietske Grijseels,
Torbjørn Norberg Myhre,
Terje Vasskog,
Terkel Hansen,
Marie Mardal
:
Development and validation of an LC-HRMS analytical platform for a long-term, clinical metabolome profiling study
2022
Marie Mardal
:
A new strategy for efficient retrospective data analyses for designer benzodiazepines in large LC-HRMS datasets
Toxicologie Analytique et Clinique 2022
DOI
Marie Mardal,
Brian Schou Rasmussen,
Petur Weihe Dalsgaard,
Kristian Linnet,
Christian Brinch Mollerup
:
Data driven strategies in forensic toxicology based on a comprehensive, structured digital archive of 6 years of systematic, forensic HRMS data
2021
Marie Mardal,
Petur Weihe Dalsgaard,
Bing Qi,
Christian Brinch Mollerup,
Pieter Annaert,
Kristian Linnet
:
Metabolism of the synthetic cannabinoids AMB-CHMICA and 5C-AKB48 in pooled human hepatocytes and rat hepatocytes analyzed by UHPLC-(IMS)-HR-MSE
Journal of Chromatography B: Biomedical Sciences and Applications 2018
DOI