Sascha K. Manier
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View article: Overcoming limitations in exhaled breath aerosol analysis – Untargeted breathomics for the identification of endogenous breath biomarkers using LC-HRMS/MS
Overcoming limitations in exhaled breath aerosol analysis – Untargeted breathomics for the identification of endogenous breath biomarkers using LC-HRMS/MS Open
This study represents a step forward in overcoming the current limitation of EB analysis, the lack of standardization in sampling procedure. Nevertheless, further investigation including correlation studies and more diverse populations wil…
View article: Comprehensive Qualitative Drug Screening in Emergency Toxicology Using an Automated LC–MS<sup>n</sup> System:Simultaneous Quantification of Relevant Drugs and Metabolites in Blood Plasma
Comprehensive Qualitative Drug Screening in Emergency Toxicology Using an Automated LC–MS<sup>n</sup> System:Simultaneous Quantification of Relevant Drugs and Metabolites in Blood Plasma Open
Rapid and comprehensive qualitative and quantitative analytical procedures are crucial in 24/7 emergency toxicology (ET) to support diagnosis and treatment of acute intoxications and to monitor their progression and efficacy of detoxificat…
View article: Characterization and Metabolism of Drug Products Containing the Cocaine-Like New Psychoactive Substances Indatraline and Troparil
Characterization and Metabolism of Drug Products Containing the Cocaine-Like New Psychoactive Substances Indatraline and Troparil Open
With a rising demand of cocaine over the last years, it is likely that unregulated new psychoactive substances with similar effects such as indatraline ((1R,3S)-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine) and troparil (Me…
View article: Comparison of reversed-phase, hydrophilic interaction, and porous graphitic carbon chromatography columns for an untargeted toxicometabolomics study in pooled human liver microsomes, rat urine, and rat plasma
Comparison of reversed-phase, hydrophilic interaction, and porous graphitic carbon chromatography columns for an untargeted toxicometabolomics study in pooled human liver microsomes, rat urine, and rat plasma Open
View article: Impact of four different extraction methods and three different reconstitution solvents on the untargeted metabolomics analysis of human and rat urine samples
Impact of four different extraction methods and three different reconstitution solvents on the untargeted metabolomics analysis of human and rat urine samples Open
Unsuitable sample preparation may result in loss of important analytes and consequently affect the outcome of untargeted metabolomics. Due to species differences, different sample preparations may be required within the same biological mat…
View article: Time series of chicken stool metagenomics and egg metabolomics in changing production systems: preliminary insights from a proof-of-concept
Time series of chicken stool metagenomics and egg metabolomics in changing production systems: preliminary insights from a proof-of-concept Open
View article: Investigations on the in vitro and in vivo metabolic fate of the new synthetic opioid desmethylmoramide using HPLC–HRMS/MS for toxicological screening purposes
Investigations on the in vitro and in vivo metabolic fate of the new synthetic opioid desmethylmoramide using HPLC–HRMS/MS for toxicological screening purposes Open
New synthetic opioids are an increasing challenge for clinical and forensic toxicologists that developed over the recent years. Desmethylmoramide (DMM), a structural analogue of methadone, is one of the most recent appearances on the drug …
View article: Evaluation of extraction methods for untargeted metabolomic studies for future applications in zebrafish larvae infection models
Evaluation of extraction methods for untargeted metabolomic studies for future applications in zebrafish larvae infection models Open
Sample preparation in untargeted metabolomics should allow reproducible extractions of as many molecules as possible. Thus, optimizing sample preparation is crucial. This study compared six different extraction procedures to find the most …
View article: Abuse of nutmeg seeds: Detectable by means of liquid chromatography‐mass spectrometry techniques?
Abuse of nutmeg seeds: Detectable by means of liquid chromatography‐mass spectrometry techniques? Open
Numerous case reports of intoxications with nutmeg seeds ( Myristica fragrans , Houtt.) can be found in literature often following their abuse, as psychotropic effects were described after ingestions of large doses. The successful detectio…
View article: Liquid Chromatography-High-Resolution Mass Spectrometry-Based In Vitro Toxicometabolomics of the Synthetic Cathinones 4-MPD and 4-MEAP in Pooled Human Liver Microsomes
Liquid Chromatography-High-Resolution Mass Spectrometry-Based In Vitro Toxicometabolomics of the Synthetic Cathinones 4-MPD and 4-MEAP in Pooled Human Liver Microsomes Open
Synthetic cathinones belong to the most often seized new psychoactive substances on an international level. This study investigated the toxicometabolomics, particularly the in vitro metabolism of 2-(methylamino)-1-(4-methylphenyl)-1-pentan…
View article: Addendum: Hemmer, S., et al. Comparison of Three Untargeted Data Processing Workflows for Evaluating LC-HRMS Metabolomics Data. Metabolites 2020, 10, 378
Addendum: Hemmer, S., et al. Comparison of Three Untargeted Data Processing Workflows for Evaluating LC-HRMS Metabolomics Data. Metabolites 2020, 10, 378 Open
The authors wish to make the following comment to this paper [...]
View article: Comparison of Three Untargeted Data Processing Workflows for Evaluating LC-HRMS Metabolomics Data
Comparison of Three Untargeted Data Processing Workflows for Evaluating LC-HRMS Metabolomics Data Open
The evaluation of liquid chromatography high-resolution mass spectrometry (LC-HRMS) raw data is a crucial step in untargeted metabolomics studies to minimize false positive findings. A variety of commercial or open source software solution…
View article: Toxicometabolomics of the new psychoactive substances α-PBP and α-PEP studied in HepaRG cell incubates by means of untargeted metabolomics revealed unexpected amino acid adducts
Toxicometabolomics of the new psychoactive substances α-PBP and α-PEP studied in HepaRG cell incubates by means of untargeted metabolomics revealed unexpected amino acid adducts Open
Toxicometabolomics, essentially applying metabolomics to toxicology of endogenous compounds such as drugs of abuse or new psychoactive substances (NPS), can be investigated by using different in vitro models and dedicated metabolomics tech…
View article: Impact of the used solvent on the reconstitution efficiency of evaporated biosamples for untargeted metabolomics studies
Impact of the used solvent on the reconstitution efficiency of evaporated biosamples for untargeted metabolomics studies Open
View article: Toxicokinetics and Analytical Toxicology of Flualprazolam: Metabolic Fate, Isozyme Mapping, Human Plasma Concentration and Main Urinary Excretion Products
Toxicokinetics and Analytical Toxicology of Flualprazolam: Metabolic Fate, Isozyme Mapping, Human Plasma Concentration and Main Urinary Excretion Products Open
An increasing number of benzodiazepine-type compounds are appearing on the new psychoactive substances market. 8-Chloro-6-(2-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine (well known as flualprazolam) represents a pot…
View article: Toxicometabolomics of cathinone derivatives
Toxicometabolomics of cathinone derivatives Open
Die vorliegende Arbeit untersuchte den Metabolismus der synthetischen Cathinone alpha-PBP, alpha-PVT, alpha-PHP, alpha-PEP, and alpha-POP mit und ohne Metabolomik. Der Metabolismus wurde konventionell untersucht, sowie die Kinetikparameter…
View article: The metabolic fate of two new psychoactive substances − 2‐aminoindane and <i>N</i>‐methyl‐2‐aminoindane − studied in vitro and in vivo to support drug testing
The metabolic fate of two new psychoactive substances − 2‐aminoindane and <i>N</i>‐methyl‐2‐aminoindane − studied in vitro and in vivo to support drug testing Open
The aim of this study was to characterize the in vitro and in vivo metabolism of 2‐aminoindane (2,3‐dihydro‐1 H ‐inden‐2‐amine, 2‐AI), and N‐ methyl‐2‐aminoindane ( N ‐methyl‐2,3‐dihydro‐1 H ‐inden‐2‐amine, NM‐2‐AI) after incubations using…
View article: Toxicokinetic studies of the four new psychoactive substances 4-chloroethcathinone, N-ethylnorpentylone, N-ethylhexedrone, and 4-fluoro-alpha-pyrrolidinohexiophenone
Toxicokinetic studies of the four new psychoactive substances 4-chloroethcathinone, N-ethylnorpentylone, N-ethylhexedrone, and 4-fluoro-alpha-pyrrolidinohexiophenone Open
View article: Untargeted metabolomics by high resolution mass spectrometry coupled to normal and reversed phase liquid chromatography as a tool to study the in vitro biotransformation of new psychoactive substances
Untargeted metabolomics by high resolution mass spectrometry coupled to normal and reversed phase liquid chromatography as a tool to study the in vitro biotransformation of new psychoactive substances Open
View article: New Psychoactive Substances 3-Methoxyphencyclidine (3-MeO-PCP) and 3-Methoxyrolicyclidine (3-MeO-PCPy): Metabolic Fate Elucidated with Rat Urine and Human Liver Preparations and their Detectability in Urine by GC-MS, “LC-(High Resolution)-MSn” and “LC-(High Resolution)-MS/MS”
New Psychoactive Substances 3-Methoxyphencyclidine (3-MeO-PCP) and 3-Methoxyrolicyclidine (3-MeO-PCPy): Metabolic Fate Elucidated with Rat Urine and Human Liver Preparations and their Detectability in Urine by GC-MS, “LC-(High Resolution)-MSn” and “LC-(High Resolution)-MS/MS” Open
Both drugs showed multiple aliphatic hydroxylations at the cyclohexyl ring and the heterocyclic ring, single aromatic hydroxylation, carboxylation after ring opening, O-demethylation, and glucuronidation. The transferability from rat to hu…