Academic literature on the topic 'Ultra-High Performance Liquid Chromatography coupled with High Resolution Mass Spectrometry (UHPLC-HRMS)'
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Journal articles on the topic "Ultra-High Performance Liquid Chromatography coupled with High Resolution Mass Spectrometry (UHPLC-HRMS)":
1
Scendoni, Roberto, Emanuele Bury, Erika Buratti, Rino Froldi, Marta Cippitelli, Gianmario Mietti, and Mariano Cingolani. "Detection of Morphine and Opioids in Fingernails: Immunohistochemical Analysis and Confirmation with Ultra-High-Performance Liquid Chromatography Coupled with High-Resolution Mass Spectrometry." Toxics 10, no. 8 (July 26, 2022): 420. http://dx.doi.org/10.3390/toxics10080420.
Abstract:
This study aimed to investigate the detection of morphine in fingernails from forensic autopsies using immunohistochemistry (IHC), with confirmation by ultra-high-performance liquid chromatography coupled with high-resolution mass spectrometry (UHPLC-HRMS). A primary antibody specific to morphine and a secondary antibody conjugated to horseradish peroxidase (HRP) was used. IHC on specimens of Subjects A and B (both drug addicts) resulted in the detection of morphine on a cell layer of the nail plate matrix. UHPLC-HRMS and GC-MS analysis showed that Subject A had a morphine concentration of 0.35 ng/mg in the fingernail and 472 ng/mL in the blood, while Subject B reached 1.23 ng/mg in the fingernail and 360 ng/ml in the blood. Most of those matrices were positive for codeine, methadone, EDDP, and 6-MAM. The use of IHC in Subject C (a former addict) showed no positivity for morphine in the fingernail, while the UHPLC-HRMS analysis confirmed its absence in the fingernail and blood. Additionally, an analysis of the scalp or pubic hair of the subjects was carried out using UHPLC-HRMS. The results suggest that IHC can be used to establish the site of accumulation of morphine in the nail matrix; for postmortem diagnosis; and that basic substances can be detected by UHPLC-HRMS. There are no previous studies on the use of IHC as a technique for forensic purposes in unconventional matrices, such as nails.
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Cao, Shanshan, Min Hu, Lingli Yang, Meiqin Li, Zhen Shi, Wenming Cheng, Yazhong Zhang, Fei Chen, Sheng Wang, and Qunlin Zhang. "Chemical Constituent Analysis of Ranunculus Sceleratus L. Using Ultra-High-Performance Liquid Chromatography Coupled with Quadrupole-Orbitrap High-Resolution Mass Spectrometry." Molecules 27, no. 10 (May 20, 2022): 3299. http://dx.doi.org/10.3390/molecules27103299.
Abstract:
Ranunculus sceleratus L.(RS) has shown various pharmacological effects in traditional Chinese medicine. In our previous study, the positive therapeutic effect on α-naphthylisothiocyanate induced intrahepatic cholestasis in rats was obtained using TianJiu treatment with fresh RS. However, the chemical profile of RS has not been clearly clarified, which impedes the research progress on the therapeutic effect of RS. Herein, an ultra-high performance liquid chromatography coupled with quadrupole Orbitrap high-resolution mass spectrometry (UHPLC-Q-Orbitrap HRMS) method was developed to rapidly separate and identify multiple constituents in the 80% methanol extract of RS. A total of sixty-nine compounds (19 flavonoids, 22 organic acids, 6 coumarins, 4 lignans, 14 nitrogenous compounds, and 4 anthraquinones) were successfully characterized. A total of 12 of these compounds were unambiguously identified by standard samples. Their mass spectrometric fragmentation pathways were investigated. It is worth noting that flavonoids and lignans were identified for the first time in RS. In this study, we successfully provide the first comprehensive report on identifying major chemical constituents in RS by UHPLC-Q-Orbitrap HRMS. The obtained results enrich the RS chemical profile, paving the way for further phytochemical study, quality control, and pharmacological investigation of RS.
3
Tao, Ye, Yannick Rossez, Clovis Bortolus, Luminita Duma, Faustine Dubar, and Franck Merlier. "Simultaneous Quantification of Trehalose and Trehalose 6-Phosphate by Hydrophilic Interaction Chromatography/Electrospray Accurate Mass Spectrometry with Application in Non-Targeted Metabolomics." Molecules 28, no. 8 (April 13, 2023): 3443. http://dx.doi.org/10.3390/molecules28083443.
Abstract:
High-resolution mass spectrometry (HRMS) was coupled with ultra-high-performance liquid chromatography (UHPLC) to simultaneously quantify trehalose and trehalose 6-phosphate without derivatization or sample preparation. The use of full scan mode and exact mass analysis also makes it possible to carry out metabolomic analyses as well as semi-quantification. In addition, the use of different clusters in negative mode makes it possible to compensate for deficiencies in linearity and inerrant saturation at time-of-flight detectors. The method has been approved and validated for different matrices, yeasts, and bacteria, and has shown differentiation between bacteria as a function of growth temperatures.
4
Filatova, Daria, Oscar Núñez, and Marinella Farré. "Ultra-Trace Analysis of Cyanotoxins by Liquid Chromatography Coupled to High-Resolution Mass Spectrometry." Toxins 12, no. 4 (April 11, 2020): 247. http://dx.doi.org/10.3390/toxins12040247.
Abstract:
The increasing frequency of episodes of harmful algal blooms of cyanobacterial origin is a risk to ecosystems and human health. The main human hazard may arise from drinking water supply and recreational water use. For this reason, efficient multiclass analytical methods are needed to assess the level of cyanotoxins in water reservoirs and tackle these problems. This work describes the development of a fast, sensitive, and robust analytical method for multiclass cyanotoxins determination based on dual solid-phase extraction (SPE) procedure using a polymeric cartridge, Oasis HLB (Waters Corporation, Milford, MA, USA), and a graphitized non-porous carbon cartridge, SupelcleanTM ENVI-CarbTM (Sigma-Aldrich, St. Louis, MO, USA), followed by ultra-high-performance liquid chromatography high-resolution mass spectrometry (SPE-UHPLC-HRMS). This method enabled the analysis of cylindrospermopsin, anatoxin-a, nodularin, and seven microcystins (MC-LR, MC-RR, MC-YR, MC-LA, MC-LY, MC-LW, MC-LF). The method limits of detection (MLOD) of the validated approach were between 4 and 150 pg/L. The analytical method was applied to assess the presence of the selected toxins in 21 samples collected in three natural water reservoirs in the Ter River in Catalonia (NE of Spain) used to produce drinking water for Barcelona city (Spain).
5
Cui, Zhifeng, Zhe Li, Weichao Dong, Lili Qiu, Jiayu Zhang, and Shaoping Wang. "Comprehensive Metabolite Identification of Genipin in Rats Using Ultra-High-Performance Liquid Chromatography Coupled with High Resolution Mass Spectrometry." Molecules 28, no. 17 (August 29, 2023): 6307. http://dx.doi.org/10.3390/molecules28176307.
Abstract:
Genipin, an aglycone of geniposide, is a rich iridoid component in the fruit of Gardenia jasminoides Ellis and has numerous biological activities. However, its metabolic profiles in vivo and vitro remain unclear. In this study, an effective analytical strategy based on ultra-high-performance liquid chromatography-high resolution mass spectrometry (UHPLC-HRMS) in positive and negative ion modes was developed to analyze and identify genipin metabolites in rat urine, blood, feces, and fecal fermentation in combination with many methods including post-collection data mining methods, high-resolution extracted ion chromatography (HREIC), and multiple mass defect filtering (MMDF). Simultaneously, the metabolites of genipin in vivo were verified by fecal fermentation of SD rats at different times. Finally, based on information such as reference substances, chromatographic retention behavior, and accurate mass determination, a total of 50 metabolites (including prototypes) were identified in vivo. Among them, 7, 31 and 28 metabolites in vivo were identified in blood, urine, and feces, respectively. Our results showed that genipin could generate different metabolites that underwent multiple metabolic reactions in vivo including methylation, hydroxylation, dehydroxylation, hydrogenation, sulfonation, glucuronidation, demethylation, and their superimposed reactions. Forty-six metabolites were verified in vitro. Meanwhile, 2 and 19 metabolites identified in blood and urine were also verified in fecal fermentation at different times. These results demonstrated that metabolites were produced in feces and reabsorbed into the body. In conclusion, the newly discovered metabolites of genipin can provide a new perspective for understanding its pharmacological effects and build the foundation for thee toxicity and safety evaluations of genipin.
6
Agostini, Marco, Donata Favretto, Caterina Renzoni, Susanna Vogliardi, and Andrea Duranti. "Characterization of URB Series Synthetic Cannabinoids by HRMS and UHPLC–MS/MS." Pharmaceuticals 16, no. 2 (January 29, 2023): 201. http://dx.doi.org/10.3390/ph16020201.
Abstract:
A large number of synthetic cannabinoids are included in new psychoactive substances (NPS) and constitute an open research area in analytical pharmaceutical and toxicology when methods are needed to unambiguously identify these substances and their metabolites in biological fluids. A full molecular characterization of five synthetic molecules of the URB series that is able to interact with the endocannabinoid system was achieved with a high-resolution mass spectrometry (HRMS) in positive ion electrospray ionization and collisional experiments on the protonated parent ions, obtaining characteristic fragmentation patterns. Ultra-high-performance liquid chromatography coupled with a triple quadrupole (UHPLC-MS/MS) has also been used, which can help develop methods for screening and confirming synthetic cannabinoids in biological fluids.
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Pezzatti, Julian, Víctor González-Ruiz, Julien Boccard, Davy Guillarme, and Serge Rudaz. "Evaluation of Different Tandem MS Acquisition Modes to Support Metabolite Annotation in Human Plasma Using Ultra High-Performance Liquid Chromatography High-Resolution Mass Spectrometry for Untargeted Metabolomics." Metabolites 10, no. 11 (November 15, 2020): 464. http://dx.doi.org/10.3390/metabo10110464.
Abstract:
Ultra-high performance liquid chromatography coupled to high-resolution mass spectrometry (UHPLC-HRMS) is a powerful and essential technique for metabolite annotation in untargeted metabolomic applications. The aim of this study was to evaluate the performance of diverse tandem MS (MS/MS) acquisition modes, i.e., all ion fragmentation (AIF) and data-dependent analysis (DDA), with and without ion mobility spectrometry (IM), to annotate metabolites in human plasma. The influence of the LC separation was also evaluated by comparing the performance of MS/MS acquisition in combination with three complementary chromatographic separation modes: reversed-phase chromatography (RPLC) and hydrophilic interaction chromatography (HILIC) with either an amide (aHILIC) or a zwitterionic (zHILIC) stationary phase. RPLC conditions were first chosen to investigate all the tandem MS modes, and we found out that DDA did not provide a significant additional amount of chemical coverage and that cleaner MS/MS spectra can be obtained by performing AIF acquisitions in combination with IM. Finally, we were able to annotate 338 unique metabolites and demonstrated that zHILIC was a powerful complementary approach to both the RPLC and aHILIC chromatographic modes. Moreover, a better analytical throughput was reached for an almost negligible loss of metabolite coverage when IM-AIF and AIF using ramped instead of fixed collision energies were used.
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El-Hawary, Enas A., Ahmed Zayed, Annegret Laub, Luzia V. Modolo, Ludger Wessjohann, and Mohamed A. Farag. "How Does LC/MS Compare to UV in Coffee Authentication and Determination of Antioxidant Effects? Brazilian and Middle Eastern Coffee as Case Studies." Antioxidants 11, no. 1 (January 7, 2022): 131. http://dx.doi.org/10.3390/antiox11010131.
Abstract:
Coffee is a popular beverage owing to its unique flavor and diverse health benefits. The current study aimed at investigating the antioxidant activity, in relation to the phytochemical composition, of authenticated Brazilian green and roasted Coffea arabica and C. robusta, along with 15 commercial specimens collected from the Middle East. Ultra-high-performance liquid chromatography coupled to high-resolution mass spectrometry (UHPLC-ESI–HRMS) and UV spectrometry were employed for profiling and fingerprinting, respectively. With the aid of global natural product social molecular networking (GNPS), a total of 88 peaks were annotated as belonging to different chemical classes, of which 11 metabolites are reported for the first time in coffee seeds. Moreover, chemometric tools showed comparable results between both platforms, with more advantages for UV in the annotation of roasting products, suggesting that UV can serve as a discriminative tool. Additionally, antioxidant assays coupled with the UHPLC-ESI–HRMS dataset using partial least-squares discriminant analysis (PLS-DA) demonstrated that caffeoylquinic acid and caffeine were potential antioxidant markers in unroasted coffee versus dicaffeoyl quinolactone and melanoidins in roasted coffee. The study presents a multiplex metabolomics approach to the quality control of coffee, one of the most consumed beverages.
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Nuzzo, Genoveffa, Emiliano Manzo, Marcello Ziaco, Laura Fioretto, Ana Margarida Campos, Carmela Gallo, Giuliana d’Ippolito, and Angelo Fontana. "UHPLC-MS Method for the Analysis of the Molecular Adjuvant Sulfavant A." Applied Sciences 11, no. 4 (February 5, 2021): 1451. http://dx.doi.org/10.3390/app11041451.
Abstract:
A fast and sensitive method that is based on Ultra High Performance Liquid Chromatography coupled with High Resolution Mass Spectrometry (UHPLC-HRMS) for the measurement of Sulfavant A, a molecular adjuvant with a sulfolipid skeleton, is described. The method has been validated over the linearity range of 2.5–2000 ngmL−1 using a deuterated derivative (d70-Sulfavant A) as internal standard. Chromatographic separation is based on a UHPLC Kinetex® 2.6 µm PS C18 column and a gradient of methanol in 0.32 mM ammonium hydroxide solution buffered at pH 8. The lowest limit of quantification of Sulfavant A was 6.5 ngmL−1. The analytical procedure was tested on an extract of mice lung spiked with 30, 300, and 1500 ng of Sulfavant A. The analysis revealed a precision and accuracy value (as a mean value of all the quality control samples analyzed) of 4.7% and 96% in MeOH and 6.4% and 93.4% in the lung extracts, respectively.
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Hong, Junting, Nadia Boussetta, Gérald Enderlin, Nabil Grimi, and Franck Merlier. "Real-Time Monitoring of the Atrazine Degradation by Liquid Chromatography and High-Resolution Mass Spectrometry: Effect of Fenton Process and Ultrasound Treatment." Molecules 27, no. 24 (December 17, 2022): 9021. http://dx.doi.org/10.3390/molecules27249021.
Abstract:
High resolution mass spectrometry (HRMS) was coupled with ultra-high-performance liquid chromatography (uHPLC) to monitor atrazine (ATZ) degradation process of Fenton/ultrasound (US) treatment in real time. Samples were automatically taken through a peristaltic pump, and then analysed by HPLC-HRMS. The injection in the mass spectrometer was performed every 4 min for 2 h. ATZ and its degradation metabolites were sampled and identified. Online Fenton experiments in different equivalents of Fenton reagents, online US experiments with/without Fe2+ and offline Fenton experiments were conducted. Higher equivalents of Fenton reagents promoted the degradation rate of ATZ and the generation of the late-products such as Ammeline (AM). Besides, adding Fe2+ accelerated ATZ degradation in US treatment. In offline Fenton, the degradation rate of ATZ was higher than that of online Fenton, suggesting the offline samples were still reacting in the vial. The online analysis precisely controls the effect of reagents over time through automatic sampling and rapid detection, which greatly improves the measurement accuracy. The experimental set up proposed here both prevents the degradation of potentially unstable metabolites and provides a good way to track each metabolite.
Dissertations / Theses on the topic "Ultra-High Performance Liquid Chromatography coupled with High Resolution Mass Spectrometry (UHPLC-HRMS)":
1
Fohet, Loélia. "Dissémination et vieillissement des particules d'usure de pneumatiques : impacts environnementaux." Electronic Thesis or Diss., Université Clermont Auvergne (2021-...), 2023. http://www.theses.fr/2023UCFA0056.
Abstract:
Les particules d'usure de pneumatiques (Tire and Road Wear Particles - TRWP) sont des particules issues de l'abrasion des pneus sur la route lors de leur roulage. Elles sont de plus en plus étudiées du fait de leur impact encore mal connu sur l'environnement, notamment par les molécules qu'elles peuvent relarguer. En effet, la composition de la bande de roulement, dont elles proviennent, est complexe et constitue un cocktail de produits chimiques. Lors de ces travaux de thèse, des vieillissements de ces particules ont été réalisés en conditions accélérées (photochimique et thermique) et naturelles. Par la suite, nous avons suivi l'évolution au cours du temps de la concentration de 3 additifs (antioxydants et agents de vulcanisation) et 20 produits de transformation au sein des particules grâce à la chromatographie liquide couplée à la spectrométrie de masse. Il est montré que les additifs peuvent se dégrader rapidement - avec des temps de demi-vie de quelques dizaines de jours - notamment lorsque l'on soumet les TRWP à un vieillissement photochimique. En revanche, dans le noir les molécules semblent se dégrader moins vite. Dans un second temps, nous avons étudié l'évolution des mêmes molécules lorsque les TRWP sont mises en contact avec l'eau, dans des conditions plus proches de celles rencontrées dans l'environnement. La plupart des molécules étudiées sont peu lixiviées dans l'eau par rapport à la quantité totale présente dans les particules. Les TRWP pourraient ainsi constituer un réservoir de produits chimiques dans l'environnement. Enfin, nous avons recherché une méthodologie efficace pour identifier les TRWP dans un échantillon prélevé dans l'environnement, à travers la microscopie et l'imagerie infrarouge, étudiant leur morphologie et leur composition chimiqueTire and Road Wear Particles (TRWPs) are particles resulting from the abrasion of tires on the road while driving. They are being studied more and more because of their still poorly understood impact on the environment, particularly because of the molecules they can release. Indeed, the composition of tire tread is complex and constitutes a cocktail of chemical products. During this work, ageing of these particles was carried out under accelerated (photoaging and thermoaging) and natural conditions. Then, we followed the evolution of the concentration of 3 additives (antioxidants and vulcanization agents) and 20 transformation products within the particles thanks to liquid chromatography coupled to mass spectrometry. The additives can degrade rapidly - with a half-life of a dozen of days - especially when TRWPs are subjected to photochemical aging. On the other hand, in the dark, the molecules seem to degrade more slowly. As a second step, we studied the evolution of the same molecules when TRWPs are in contact with water, in conditions closer to the environment. Most of the studied molecules are leached little into water compared to the total amount present in the particles. Thus, TRWPs could constitute a reservoir of chemicals in the environment. Finally, we looked for an efficient methodology to identify TRWPs in a sample taken in the environment, through microscopy and infrared imaging, by studying their morphology and their chemical composition
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Oshita, Daniele 1981. "Desenvolvimento e validação de método analítico para determinação de multirresíduos de agrotóxicos em morango por LC-MS/MS e comparação com UHPLC." [s.n.], 2013. http://repositorio.unicamp.br/jspui/handle/REPOSIP/250530.
Abstract:
Orientador: Isabel Cristina Sales Fontes JardimTese (doutorado) - Universidade Estadual de Campinas, Instituto de Química
Made available in DSpace on 2018-08-24T08:24:02Z (GMT). No. of bitstreams: 1 Oshita_Daniele_D.pdf: 4645263 bytes, checksum: 6628dba7b8449d1cf1f86afa3dcae9e2 (MD5) Previous issue date: 2013
Resumo: Este trabalho envolve o desenvolvimento, a otimização e a validação de um método analítico para determinação de multirresíduos de agrotóxicos em amostras de morango, por cromatografia líquida acoplada à espectrometria de massas sequencial (LC-MS/MS). No preparo de amostra utilizou o método QuEChERS (quick, easy, cheap, effective, rugged and safe), que foi testado nas três versões, Original, AOAC Official Method e European Committee for Standardization (CEN) Standard Method EN 15662, além da versão CEN 15662 modificada. Também foram otimizados os solventes de extração, massas do agente secante e, na etapa de clean-up por extração em fase sólida dispersiva (d-SPE), o sorvente comercial PSA (primary secondary amine), alguns preparados no laboratório à base de polímeros de siloxano, como octadecil, octil, amino, fenil, e a mistura PSA e octadecil. As avaliações dos métodos foram baseadas, principalmente, nos valores de recuperação e nos estudos sobre o uso de diferentes sorventes, outros parâmetros que estimam a eficiência do clean-up também foram utilizados, como aspecto físico do extrato final, quantidade de coextratos da matriz, obtida por medidas gravimétricas, e efeito matriz. O método desenvolvido foi validado por meio dos parâmetros analíticos de seletividade, limite de detecção (LOD), limite de quantificação (LOQ), linearidade, exatidão e precisão, conforme o guia Sanco para análises de resíduos de agrotóxicos em alimentos e, posteriormente, amostras comerciais de morango da região de Campinas foram analisadas. O método validado por LC-MS/MS apresentou-se seletivo, preciso, exato e atingiu concentrações abaixo dos respectivos limites máximos de resíduos (LMR) para determinação de agrotóxicos em morango. Este método foi transferido para cromatografia líquida de ultra eficiência (UHPLC), que mostrou redução no tempo de análise, na vazão da fase móvel (FM) e no volume de injeção de amostra e da FM, e similaridade na detectabilidade dos analitos
Abstract: This work involves the development, optimization and validation of an analytical method for multiresidue determination of pesticides in strawberry samples by liquid chromatography coupled to tandem mass spectrometry (LC-MS/MS). Sample preparation used the QuEChERS (quick, easy, cheap, effective, rugged and safe) method, which was tested in three versions, Original, AOAC Official Method and European Committee for Standardization (CEN) Standard Method EN 15662, and also CEN 15662 modified version. The factores optimized were extraction solvents, amount of drying agent and in the clean-up step by dispersive solid phase extraction (d-SPE), the commercial sorbent PSA (primary secondary amine), several prepared in the laboratory based on siloxane polymers, such as octadecyl, octyl, amine, phenyl, and the mixture PSA and octadecyl. The evaluation of the methods was based mainly on the recovery values and for the study of different sorbents, other parameters that estimate the efficiency of the clean-up were also used such as the physical aspect of the final extract, the amount of interference matrix obtained using gravimetric measurements, and the matrix effect. The developed method was validated by the analytical parameters of selectivity, limit of detection (LOD), limit of quantification (LOQ), linearity, accuracy and precision, as described in the Sanco guide for analysis of pesticide residues in foods. After, commercial strawberry samples from the Campinas region were analyzed. The validated method by LC-MS/MS was selective, precise, accurate and reached levels below the respective maximum residue limits (MRLs) for the determination of pesticides in strawberries. This method was transferred to ultra high performance liquid chromatography (UHPLC), which showed a reduction in analysis time, the mobile phase (MP) flow rate and the injection volume of the sample and MP, and similarity in the detectability of the analytes
Doutorado
Quimica Analitica
Doutora em Ciências
3
Arbouche, Nadia. "Aspects analytiques, cliniques et médico-judiciaires liés à l’identification de molécules à pouvoir hypoglycémiant dans les intoxications par antidiabétiques." Electronic Thesis or Diss., Strasbourg, 2022. http://www.theses.fr/2022STRAJ020.
Abstract:
L'utilisation des médicaments antidiabétiques, malgré leurs fins thérapeutiques, n'est pas dénuée de risques. Le plus grand risque lié à l'utilisation de ces médicaments est l'hypoglycémie, qui peut être fatale en cas d'utilisation inappropriée. L'utilisation détournée est en fait assez bien connue à des fins criminelles de suicide et de meurtre, comme substances dopantes dans le milieu sportif (dans le cas de l'insuline) et dans le cadre des hypoglycémies factices (syndrome de Münchhausen). Dans le cadre de ma thèse, je me suis intéressé à 5 familles d'antidiabétiques oraux (sulfamides hypoglycémiants, glinides, gliptines, biguanides et gliflozines) et à l'insuline. L'objectif principal était de développer des méthodes analytiques pour l'identification et la quantification de ces substances dans le sang et autres fluides biologiques et d'apporter un intérêt à la recherche de ces substances dans les cheveux afin de fournir des critères d'interprétation pour mieux expliquer les concentrations retrouvées dans les cheveux en raison du manque de données dans la littérature. La première partie de ce travail a été consacrée au développement de méthodes analytiques pour détecter les antidiabétiques oraux dans le sang et les cheveux par chromatographie en phase gazeuse couplée à la spectrométrie de masse en tandem en ce qui concerne la metformine et à l’aide de la chromatographie liquide couplée à la spectrométrie de masse en tandem pour les autres quatre familles d’antidiabétiques oraux. Après avoir développé des méthodes analytiques pour la recherche d'antidiabétiques oraux, mon travail s'est orienté vers le développement d'une méthode d'identification de l'insuline dans la matrice sanguine postmortem sur un système de chromatographie liquide couplé à la spectrométrie de masse à haute résolution (Q-TOF). Aujourd'hui, les bibliothèques de MS contiennent six antidiabétiques appartenant à la famille des sulfamides comme agents hypoglycémiants, un biguanide (metformine), deux glinides, cinq gliptines et trois gliflozines . En outre, elles comptent désormais aussi les spectres de l'insuline humaine et de cinq de ses analogues synthétiques. Ces méthodes ont été appliquées à la fois dans des contextes cliniques pour l'ajustement de la posologie et aux cas de surdosage provenant de la réanimation et des urgences, et dans des cas médico-légaux impliquant principalement des suicides et des surdosages dus à une mauvaise utilisation de ces médicaments. Ces travaux ont donné lieu à 7 publications internationales et 3 publications nationalesThe use of anti-diabetic drugs, despite their therapeutic purposes, is not risk-free. The greatest risk associated with the use of these drugs is hypoglycaemia, which can be fatal if used inappropriately. Misuse is actually quite well known for criminal purposes of suicide and murder, for doping purposes in sports (in the case of insulin) and in the context of factitious hypoglycaemia (Munchausen syndrome). In my thesis, I was interested in 5 families of oral antidiabetic drugs (hypoglycaemic sulphonamides, glinides, gliptins, biguanides and gliflozins) and in insulin. The main objective was to develop analytical methods for the identification and quantification of these substances in blood and other biological fluids and to provide an interest in the research of these substances in hair in order to provide interpretation criteria to better explain the concentrations found in hair due to the lack of data in the literature. The first part of this work was devoted to the development of analytical methods to detect oral antidiabetic drugs in blood and hair by gas chromatography-tandem mass spectrometry for metformin and by liquid chromatography-tandem mass spectrometry for the other four families of oral antidiabetic drugs. After developing analytical methods for the investigation of oral antidiabetics,my work turned to the development of a method for the identification of insulin in the postmortem blood matrix on a liquid chromatography-high resolution mass spectrometry (Q-TOF) system. Today, the MS libraries contain six antidiabetic drugs belonging to the sulphonamide family as hypoglycaemicagents, one biguanide (metformin), two glinides, five gliptins and three gliflozins. In addition, they now also include the spectra of human insulin and five of its synthetic analogues. These methods have been applied both in clinical settings for dose adjustment and overdose cases from the intensive care unit and emergency room, and in forensic cases involving mainly suicides and overdoses due to incorrect use of these drugs. This work has led to 7 international and 3 national publications
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Ameline, Alice. "Aspects analytiques, cliniques et médico-judiciaires des nouvelles substances psychoactives." Thesis, Strasbourg, 2019. http://www.theses.fr/2019STRAJ018/document.
Abstract:
En raison de la diffusion incontrôlée sur le e-commerce, la sécurité et l’alternative légale aux stupéfiants habituels, les nouvelles substances psychoactives (NPS), d’apparition récente (2008), sont au cœur des phénomènes récents d’addiction et de décès mal expliqués. Au-delà des différents défis dans nos sociétés (prévention, législation), la capacité d’identifier les NPS dans des échantillons biologiques pour caractériser leur utilisation, présente de nombreux challenges analytiques. L’objectif principal de cette thèse a été de collecter des échantillons biologiques (sang, urine, cheveux) provenant de cas d’exposition à des NPS et d’y caractériser les substances présentes à l’aide de méthodes analytiques originales, dans le but d’enrichir les librairies de spectres de masse et d’améliorer, en conséquence, la détection de la consommation de NPS. En particulier, il s’agissait d’augmenter la fenêtre de détection de la prise de NPS en se focalisant sur les métabolites qui sont, le plus souvent, les produits majeurs d’élimination. Le développement analytique, par chromatographie liquide ultra haute performance couplée à la spectrométrie de masse en tandem (UHPLC-MS/MS), a demandé plusieurs mois d’optimisation afin d’obtenir une méthode robuste, exhaustive et sensible. Actuellement, la librairie de spectres MS comporte 114 NPS et est mise à jour régulièrement. A la suite de ce développement, ma thèse a porté sur l’étude de cas d’intoxication vus au service des urgences du CHU de Strasbourg, mais aussi en médecine légale, avec des situations de décès et d’identification de produits inconnus provenant de saisies (poudres et cristaux). Il a également été nécessaire de développer des outils analytiques complémentaires, tels que la caractérisation de métabolite(s) par étude sur microsomes hépatiques humains (HLMs), et l’utilisation de la spectroscopie par résonance magnétique nucléaire (RMN) afin d’identifier avec certitude certains composés et de déterminer leur degré de pureté. Les outils analytiques développés et la stratégie mise en place ont permis la rédaction de 18 publications, ainsi que l’agencement de nombreuses collaborationsDue to the uncontrolled spread on the Internet and their legal alternative to usual drugs, the new psychoactive substances (NPS), recently appeared (2008), are at the center of recent phenomena of addiction and badly explained deaths. Beyond different challenges in our societies (prevention, legislation), the ability to identify NPS in biological samples, in order to characterize their use, presents many analytical challenges. The main objective of this thesis was to collect biological samples (blood, urine, hair) from cases of exposure to NPS and to characterize the substances present using original analytical methods, in order to enlarge the libraries of mass spectra and improve, as a result, the detection of NPS consumption. In particular, it was intended to increase the detection sensitivity of NPS intake by focusing on the metabolites that are often the major products of elimination. This analytical development, by ultra-high liquid chromatography coupled with tandem mass spectrometry (UHPLC-MS/MS), required several months of optimization in order to obtain a robust, exhaustive and sensitive method. At present, the mass spectra database has 114 NPS and is regularly updated. Thereafter, ma thesis focused on the study of cases of intoxication observed in the emergency department of Strasbourg, but also in legal medicine with situations of deaths and identification of unknown products collected from seizures (powders and crystals). It has also been necessary to implement complementary analytical tools, such as the characterization of metabolites by human liver microsomes (HLMs), and the use of nuclear magnetic resonance (NMR) spectroscopy to accurately identify the compounds and establish their purity degrees. The analytical tools developed, and the strategy adopted, allowed the writing of 18 publications, as well as the setting up of numerous collaborations
Book chapters on the topic "Ultra-High Performance Liquid Chromatography coupled with High Resolution Mass Spectrometry (UHPLC-HRMS)":
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Herath, I., J. Bundschuh, and P. Bhattacharya. "Ultra-High Performance Liquid Chromatography (UHPLC) hyphenated to Inductively Coupled Plasma Mass Spectrometry (ICP-MS) for fast analysis of arsenic species in environmental and biological media." In Arsenic in the Environment: Bridging Science to Practice for Sustainable Development As2021, 155–57. London: CRC Press, 2024. http://dx.doi.org/10.1201/9781003317395-66.
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Narvaez, Alfonso, Yelko Rodriguez-Carrasco, Luigi Castaldo, Luana Izzo, and Alberto Ritieni. "Ultra-High-Performance Liquid Chromatography Coupled with Quadrupole Orbitrap High-Resolution Mass Spectrometry for Multi-Residue Analysis of Mycotoxins and Pesticides in Botanical Nutraceuticals." In Mycotoxins: An Under-evaluated Risk for Human Health, 82–96. Book Publisher International (a part of SCIENCEDOMAIN International), 2022. http://dx.doi.org/10.9734/bpi/mono/978-93-5547-768-2/ch7.
3
Narvaez, Alfonso, Yelko Rodriguez-Carrasco, Luigi Castaldo, Luana Izzo, Giulia Graziani, and Alberto Ritieni. "Occurrence and Exposure Assessment of Mycotoxins in Ready-to-Eat Tree Nut Products through Ultra-High Performance Liquid Chromatography Coupled with High Resolution Q-Orbitrap Mass Spectrometry." In Mycotoxins: An Under-evaluated Risk for Human Health, 108–22. Book Publisher International (a part of SCIENCEDOMAIN International), 2022. http://dx.doi.org/10.9734/bpi/mono/978-93-5547-768-2/ch9.
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Izzo, Luana, Alfonso Narvaez, Luigi Castaldo, Anna Gaspari, Yelko Rodriguez-Carrasco, Michela Grosso, and Alberto Ritieni. "Multiclass and Multi-residue Screening of Mycotoxins, Pharmacologically Active Substances, and Pesticides in Infant Milk Formulas through ultra-High-performance Liquid Chromatography Coupled with High-resolution Mass Spectrometry Analysis." In Mycotoxins: An Under-evaluated Risk for Human Health, 204–22. Book Publisher International (a part of SCIENCEDOMAIN International), 2022. http://dx.doi.org/10.9734/bpi/mono/978-93-5547-768-2/ch15.
Conference papers on the topic "Ultra-High Performance Liquid Chromatography coupled with High Resolution Mass Spectrometry (UHPLC-HRMS)":
1
Hajslova, Jana, Enrico Valli, Klara Navratilova, and Tullia Gallina Toschi. "Metabolic fingerprinting strategies for authentication challenge: EVOO adulterated by soft deodorized olive oil." In 2022 AOCS Annual Meeting & Expo. American Oil Chemists' Society (AOCS), 2022. http://dx.doi.org/10.21748/qepz3229.
Abstract:
Extra virgin olive oil (EVOO) is a high value commodity that might be subject of various fraudulent practices. One of them, addition of lower grade, soft-deodorized olive oil to EVOO has recently become of concern, as such adulterant detection is not an easy task. In this study, aqueous methanolic extracts of a unique set of authentic EVOOs, soft-deodorized oils and their admixtures obtained within the OLEUM EU project (http://www.oleumproject.eu/) were investigated. Using ultra-high performance liquid chromatography coupled to hybrid quadrupole time-of-flight high-resolution tandem mass spectrometry (UHPLC-QTOF-HRMS/MS) for metabolomic fingerprinting, followed by  multi-dimensional chemometric evaluation, ´marker ions´ were recognized. Some molecules identified, whose etiology must be investigated, were: the methyl ester of hydroxy octadecenoic acid and a ester derivative of oleic acid. As far as these markers can be confirmed as diagnostic, detection of soft-deodorized olive oil addition can be enabled through a simpler and highly sensitive target analysis employing high performance liquid chromatography coupled to triple quadrupole tandem mass spectrometry (HPLC-QqQ-MS/MS).