Ion exchange in supercritical fluid chromatography tandem mass spectrometry (SFC-MS/MS): Application for polar and ionic drugs and metabolites in forensic and anti-doping analysis

Xhaferaj, Majlinda; Naegele, Edgar; Parr, Maria Kristina

doi:10.1016/j.chroma.2019.460726

Cited by 32 publications

(20 citation statements)

References 46 publications

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“…Limited research has been performed on the analysis and monitoring of highly polar chemicals in water. − Analytical separation techniques like supercritical fluid chromatography, 7 , − chromatography using a bi- or trifunctional mixed-mode column combining RP, anion, and cation exchange, chromatography with a core–shell biphenyl stationary phase, and hydrophilic interaction liquid chromatography (HILIC), , often in combination with high-resolution mass spectrometry (HRMS) have been applied to study highly polar compounds in water samples. HRMS has been shown to be particularly useful in the identification of emerging substances. − In particular for organic acids and bases, new analytical methods need to be developed to enable the monitoring of their levels in drinking water sources.…”

Section: Introductionmentioning

confidence: 99%

Assessment of Highly Polar Chemicals in Dutch and Flemish Drinking Water and Its Sources: Presence and Potential Risks

et al. 2021

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Highly polar chemicals are mobile in an aqueous environment. Analytical methods for these compounds in water are lacking. A combined target/nontarget screening method based on hydrophilic interaction LC coupled to high-resolution MS was developed. Thirty-two highly polar chemicals (including melem and melam) can thus be quantitatively measured in surface water and drinking water, and the MS data can be screened for unknown compounds. This is the first time a method for the determination of melem and melam in water has been described. The method is complementary to existing target and nontarget methods for less polar substances and can be applied for (drinking) water quality assessment. In a screening study in The Netherlands and Flanders, 12 of the 32 compounds were encountered in groundwater, surface water, and drinking water at levels between 0.01 and 4.2 μg/L. Concentrations in drinking water were compared with (provisional) guideline values to assess whether these may pose a concern for human health. In one drinking water sample, the concentration of dichloroacetic acid exceeded the provisional guideline value, indicating that health effects cannot be excluded on the basis of lifetime exposure. For most chemicals, reliable drinking water guideline values could not be derived due to the limited available of toxicity data.

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Section: Introductionmentioning

confidence: 99%

Assessment of Highly Polar Chemicals in Dutch and Flemish Drinking Water and Its Sources: Presence and Potential Risks

et al. 2021

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“…We should also notice that the research articles studying meldonium pharmacokinetics and detection time in biological fluids were published after it was added to the prohibited list (35)(36)(37)(38)(39)(40)(41)(42)(43)(44).…”

Section: Meldoniummentioning

confidence: 99%

The Inclusion in WADA Prohibited List Is Not Always Supported by Scientific Evidence: A Narrative Review

Bezuglov

Talibov

Butovskiy³

et al. 2021

Asian J Sports Med

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Context: Our goal was to review the current literature regarding the ability of substances that have recently been included in the WADA prohibited list (i.e., meldonium, trimetazidine, xenon, and cobalt) or in the monitoring program (i.e., ecdysterone and bemethyl) to enhance performance in athletes or cause adverse effects. Evidence Acquisition: To find out which studies led to the prohibition of the substances mentioned, we searched the PubMed database using keywords including the substances’ or methods’ names, as well as phrases related to various aspects of sports activities and health assessments of athletes. Results: The results obtained during our systematic literature search clearly indicate that there is a lack of scientific evidence supporting the impact of several substances prohibited by WADA (i.e., meldonium, trimetazidine, xenon, and cobalt) on athletic performance or on health in athletes. Conclusions: There is insufficient evidence that the previously mentioned substances have any performance enhancing potential. If left on the list, meldonium may be classified as a “specified substance” because of its wide availability and due to the fact that this drug that can be easily bought over the counter without a prescription.

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“…The physicochemical diversity of metabolites makes it more difficult to develop methods with comprehensive coverage of the entire metabolome. , Although untargeted metabolomics may detect more features than targeted methods do, the annotation and identification of the metabolites remain major challenges. , The hydrophilic metabolites, such as amino acids, carbohydrates, and organic acids, account for a large proportion of the metabolome and play pivotal roles in many key metabolic processes . Chromatographically, hydrophilic metabolites are poorly separated on the most commonly used reversed-phase liquid chromatography (LC) columns due to their poor retention. − Moreover, the existence of isomeric metabolites, such as glucose and fructose, makes the separation even more challenging . The co-elution of metabolites may also cause ion suppression, resulting in compromised detection sensitivity .…”

Section: Introductionmentioning

confidence: 99%

Simultaneous 3-Nitrophenylhydrazine Derivatization Strategy of Carbonyl, Carboxyl and Phosphoryl Submetabolome for LC-MS/MS-Based Targeted Metabolomics with Improved Sensitivity and Coverage

et al. 2021

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Metabolomics is a powerful and essential technology for profiling metabolic phenotypes and exploring metabolic reprogramming, which enables the identification of biomarkers and provides mechanistic insights into physiology and disease. However, its applications are still limited by the technical challenges particularly in its detection sensitivity for the analysis of biological samples with limited amount, necessitating the development of highly sensitive approaches. Here, we developed a h ighly s ensitive liquid chromatography tandem mass spectrometry method based on a 3-nitrophenylhydrazine (3-NPH) d erivatization strategy that simultaneously targets c arbonyl, c arboxyl, and p hosphoryl groups for t argeted m etabolomic analysis (HSDccp-TM) in biological samples. By testing 130 endogenous metabolites including organic acids, amino acids, carbohydrates, nucleotides, carnitines, and vitamins, we showed that the derivatization strategy resulted in significantly improved detection sensitivity and chromatographic separation capability. Metabolic profiling of merely 60 oocytes and 5000 hematopoietic stem cells primarily isolated from mice demonstrated that this method enabled routine metabolomic analysis in trace amounts of biospecimens. Moreover, the derivatization strategy bypassed the tediousness of inferring the MS fragmentation patterns and simplified the complexity of monitoring ion pairs of metabolites, which greatly facilitated the metabolic flux analysis (MFA) for glycolysis, the tricarboxylic acid (TCA) cycle, and pentose phosphate pathway (PPP) in cell cultures. In summary, the novel 3-NPH derivatization-based method with high sensitivity, good chromatographic separation, and broad coverage showed great potential in promoting metabolomics and MFA, especially in trace amounts of biospecimens.

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Ion exchange in supercritical fluid chromatography tandem mass spectrometry (SFC-MS/MS): Application for polar and ionic drugs and metabolites in forensic and anti-doping analysis

Cited by 32 publications

References 46 publications

Assessment of Highly Polar Chemicals in Dutch and Flemish Drinking Water and Its Sources: Presence and Potential Risks

Assessment of Highly Polar Chemicals in Dutch and Flemish Drinking Water and Its Sources: Presence and Potential Risks

The Inclusion in WADA Prohibited List Is Not Always Supported by Scientific Evidence: A Narrative Review

Simultaneous 3-Nitrophenylhydrazine Derivatization Strategy of Carbonyl, Carboxyl and Phosphoryl Submetabolome for LC-MS/MS-Based Targeted Metabolomics with Improved Sensitivity and Coverage

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