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LC/MS

U-HPLC‒MS/MS  (Acquity UPLC – QTRAP 5500)

1) QTRAP 5500 (originál)

Hyphenation of ultra-high performance liquid chromatograph Acquity UPLC (Waters) and tandem mass spectrometer QTRAP 5500 (Sciex) equipped with quadrupole and linear ion trap mass analyzers and electrospray ionization (ESI) interface represents a ‘standard’ instrumentation for quantitative analysis of known compounds at low concentration levels, provides high degree of selectivity (MS2) and allows the possibility of additional confirmation of selected compounds (MS3). The instrument is used for detection of mycotoxins and residues of polar pesticides and pesticides in water and also for laboratory teaching.

Publications

Dzuman Z., Vaclavikova M., Polisenska I., Veprikova Z., Fenclova M., Zachariasova M., Hajslova J.: Enzyme linked immunosorbent assay in analysis of deoxynivalenol: Investigation of impact of sample matrix on results accuracy. Analytical and Bioanalytical Chemistry 406 (2014): 505-514. (doi: 10.1007/s00216-013-7463-3)

Dzuman Z., Zachariasova M., Lacina O., Veprikova Z., Slavikova P., Hajslova J.: A rugged high-throughput analytical approach for the determination and quantification of multiple mycotoxins in complex feed matrices. Talanta 121 (2014): 263–272. (doi: 10.1016/j.talanta.2013.12.064)

Zachariasova M., Dzuman Z., Veprikova Z., Hajkova K., Jiru M., Vaclavikova M., Zachariasova A., Pospichalova M., Florian M., Hajslova J.: Occurrence of multiple mycotoxins in European feedingstuffs, assessment of dietary intake by farm animals. Animal Feed Science and Technology 193 (2014): 124–140. (doi: 10.1016/j.anifeedsci.2014.02.007)

Vaclavikova M., Dzuman Z., Lacina O., Fenclova M., Veprikova Z., Zachariasova M., Hajslova J.: Monitoring survey of patulin in a variety of fruit-based products using a sensitive UHPLC-MS/MS analytical procedure. Food Control 47 (2015): 577–584. (doi: 10.1016/j.foodcont.2014.07.064)

Veprikova Z., Zachariasova Z., Dzuman Z., Zachariasova A., Fenclova M., Slavikova P., Vaclavikova M., Mastovska K., Hengst D., Hajslova J.: Mycotoxins in plant-based dietary supplements: hidden health risk for consumers. Journal of Agricultural and Food Chemistry 63 (2015): 6633–6643. (doi: 10.1021/acs.jafc.5b02105)

Chrpova J., Sip V., Salava J., Palicova J., Stockova L., Dzuman Z., Hajslova J.: Occurrence of Fusarium species and mycotoxins in wheat grain collected in the Czech Republic. World Mycotoxin Journal 9 (2016): 317–327. (doi: 10.3920/WMJ2015.1917)

Dzuman Z., Zachariasova M., Vaclavikova M., Tomaniova M., Veprikova Z., Slavikova P., Hajslova J.: Fate of free and conjugated mycotoxins within the production of distiller’s dried grains with solubles (DDGS). Journal of Agricultural and Food Chemistry 64 (2016): 5085–5092. (doi: 10.1021/acs.jafc.6b00304)

 

U-HPLC‒MS/MS  (Agilent 1290 Infinity II – QTRAP 6500+)

2) QTRAP 6500+ (originál)

Ultra-high performance liquid chromatograph Agilent 1290 Infinity II (Agilent Technologies) and tandem mass spectrometer QTRAP 6500+ (Sciex) equipped with quadrupole and linear ion trap mass analyzers and electrospray ionization (ESI) interface is a new instrument suitable for quantitative analysis of known compounds allowing to achieve high degree of selectivity within routine analysis (MS2) with the possibility of additional confirmation (MS3). The instrument is used for determination of compounds at trace and ultra-trace levels – toxic plant alkaloids, metabolites of environmental contaminants and residues of polar pesticides. It is also equipped with UV and fluorescence detectors finding application e.g. for detection of polycyclic aromatic hydrocarbons.

Publications

Dzuman Z., Jonatova P., Stranska-Zachariasova M., Prusova N., Brabenec O., Novakova A., Fenclova M., Hajslova J.: New liquid chromatography - tandem mass spectrometry method for accurate and sensitive determination of 33 pyrrolizidine and 21 tropane alkaloids in plant-based food matrices. Journal of Chromatography A (2020), under review

 

U-HPLC‒HRMS (Acquity UPLC – Exactive)

3) Exactive (originál)

Hyphenation of ultra-high performance liquid chromatograph Acquity UPLC (Waters) and high resolution mass spectrometer Exactive (Thermo Scientific) equipped with orbital ion trap mass analyzer utilizes widespread ambient electrospray ionization (ESI), atmospheric pressure chemical ionization (APCI) as well as direct analysis in real time (DART) without chromatographic separation. The instrument operating in full-spectral acquisition mode is used for quantitative analysis of opium alkaloids, MCPD esters and cannabinoids and non-targeted analysis for authentication purposes. It is also used for laboratory teaching.

Publications

Vaclavik L., Zachariasova M., Hrbek V., Hajslova J.: Analysis of multiple mycotoxins in cereals under ambient conditions using direct analysis in real time (DART) ionization coupled to high resolution mass spectrometry. Talanta 82 (2010): 1950-1957. (doi: 10.1016/j.talanta.2010.08.029)

Malachova A., Dzuman Z., Veprikova Z., Vaclavikova M., Zachariasova M., Hajslova J.: Deoxynivalenol, deoxynivalenol-3-glucoside, and enniatins: the major mycotoxins found in cereal-based products on the Czech market. Journal of Agricultural and Food Chemistry 59 (2011): 12990-12997. (doi: 10.1021/jf203391x)

Zachariasova M., Vaclavikova M., Lacina O., Vaclavik L., Hajslova J.: Deoxynivalenol oligoglycosides: new "masked" Fusarium toxins occurring in malt, beer, and breadstuff. Journal of Agricultural and Food Chemistry 60 (2012): 9280-9291. (doi: 10.1021/jf302069z)

Moravcova E., Vaclavik L., Lacina O., Hrbek V., Riddelova K., Hajslova J.: Novel approaches to analysis of 3-chloropropane-1,2-diol esters in vegetable oils. Analytical and Bioanalytical Chemistry 402 (2012): 2871-2883. (doi: 10.1007/s00216-012-5732-1)

Rubert J., Dzuman Z., Vaclavikova M., Zachariasova M., Soler C., Hajslova J.: Analysis of mycotoxins in barley using ultra high liquid chromatography high resolution mass spectrometry: comparison of efficiency and efficacy of different extraction procedures. Talanta 99 (2012): p. 712–719. (doi: 10.1016/j.talanta.2012.07.010)

Hrbek V., Vaclavik L., Elich O., Hajslova J.: Authentication of milk and milk-based foods by direct analysis in real time ionization-high resolution mass spectrometry (DART-HRMS) technique: a critical assessment. Food Control 36 (2014): 138-145. (doi: 10.1016/j.foodcont.2013.08.003)

Hrbek V., Rektorisova M., Chmelarova H., Ovesna J., Hajslova J.: Authenticity assessment of garlic using a metabolomic approach based on high resolution mass spectrometry. Journal of Food Composition and Analysis 67 (2018): 19-28. (doi: 10.1016/j.jfca.2017.12.020)

 

U-HPLC‒HRMS/MS  (UltiMate 3000 – Q-Exactive Plus)

4) Q-ExactivePlus (originál)

Modern technology of the instrument combining ultra-high performance liquid chromatograph UltiMate 3000 (Thermo Scientific) and high resolution tandem mass spectrometer Q-Exactive Plus (Thermo Scientific) equipped with quadrupole and orbital ion trap mass analyzers with characteristic unique mass accuracy (m/z) allows full-spectral acquisition and/or selection of precursor ions and fragmentation. Utilization of both electrospray ionization (ESI) and atmospheric pressure chemical ionization (APCI) is possible. It is used for quantitative and qualitative determination of cannabinoids, mycotoxins, toxic plant alkaloids and residues of pesticides and also finds application in authentication studies focused on valuable commodities (wine, olive oil, etc.).

Publications

Dzuman Z., Zachariasova M., Veprikova Z., Godula M., Hajslova J.: Multi–analyte high performance liquid chromatography coupled to high resolution tandem mass spectrometry method for control of pesticide residues, mycotoxins, and pyrrolizidine alkaloids. Analytica Chimica Acta (2015) 863:  29–40. (doi:10.1016/j.aca.2015.01.021 )

Stranska-Zachariasova M., Kastanek P., Dzuman Z., Rubert J., Godula M., Hajslova J.: Bioprospecting of microalgae: proper extraction followed by high performance liquid chromatographic-high resolution mass spectrometric fingerprinting as key tools for successful metabolom characterization. Journal of Chromatography B 1015-1016 (2016): 22-33. (doi: 10.1016/j.jchromb.2016.01.050)

Kosek V., Stranska M., Fenclova M., Ruml T., Vitek L., Hajslova J.: High resolution mass spectrometry based method applicable for a wide range of 3-hydroxy-3-methyl-glutaryl-coenzyme A reductase inhibitors in blood serum including intermediates and products of the cholesterol biosynthetic pathway. Journal of Chromatography A 1489 (2017): 86-94. (doi: 10.1016/j.chroma.2017.01.084)

Belkova B., Hradecky J., Hurkova K., Forstova V., Vaclavik L., Hajslova J.: Impact of vacuum frying on quality of potato crisps and frying oil. Food Chemistry 241 (2018): 54-59. (doi: 10.1016/j.foodchem.2017.08.062)

Jiru M., Stranska-Zachariasova M., Dzuman Z., Hurkova K., Tomaniova M., Stepan R., Cuhra P., Hajslova J.: Analysis of phosphodiesterase type 5 inhibitors as possible adulterants of botanical-based dietary supplements: extensive survey of preparations available at the Czech market. Journal of Pharmaceutical and Biomedical Analysis 164 (2019): 713-724. (doi: 10.1016/j.jpba.2018.11.007)

Benes F., Fenclova M., Peukertova P., Binova Z., Dzuman Z., Hajslova J.: Determination of seventeen phytocannabinoids in various matrices by UHPLC-HRMS/MS. LCGC Europe 33 (2020): 8-16

 

Acquity UPLC liquid chromatograph coupled with with Xevo TQ-S mass spectrometer (LC-MS/MS)

This is a highly sensitive tandem mass spectrometer, which is typically used for the determination of substances even at ultra-trace concentrations. This sensitive universal detector coupled with ultra- high-performance liquid chromatography is a suitable tool for the analysis of a wide range of chemicals in various types of matrices, not only in food, but also in environmental and biomonitoring samples. The mass spectrometer is equipped with an electrospray ion source and the analysis of ions is performed using a triple quadrupole by measuring the characteristic parent and daughter ions of the monitored analytes.

Examples of applications
  • Analysis of a wide spectrum of pesticide residues (more than 400 substances in one run), especially in fruits and vegetables, but also baby food, cereals and other food ingredients.
  • Analysis of environmental contaminants, such as perfluoralkylated subsatces or metabolites of polycyclic aromatic hydrocarbons or phthalates in biological matrices and environmental samples.
  • Analysis of acrylamide - a process contaminant formed during the heat treatment of food, typically determined in samples of biscuits, chips, bread or coffee.

Publications

Urbancova K., Dvorakova D., Gramblicka T., Sram R.J., Hajslova J., Pulkrabova J.: Comparison of polycyclic aromatic hydrocarbon metabolite concentrations in urine of mothers and their newborns. Science of the Total Environment (2020) 723:138116 (doi: 10.1016/j.scitotenv.2020.138116)

Drabova L., Alvarez-Rivera G., Suchanova M., Schusterova D., Pulkrabova J., Tomaniova M., Kocourek V., Chevallier O., Elliot Ch., Hajslova J.: Food fraud in oregano: pesticide residues as adulteration markers. Food Chemistry (2019) 276:726-734. (doi:10.1016/j.foodchem.2018.09.143)

Urbancova K., Lankova D., SramR.J., Hajslova J., Pulkrabova J.: Urinary metabolites of phthalates and di-iso-nonyl cyclohexane-1,2-dicarboxylate (DINCH) – Czech mothers´ and newborns´ exposure biomarkers. Environmental Research (2019), 173: 342-348. (doi: 10.1016/j.envres.2019.03.067)

Urbancova K., Lankova D., Rossner P., Rossnerova A., Svecova V., Tomaniova M., Veleminsky M., Jr., Sram R. J., Hajslova J., Pulkrabova J.: Evaluation of 11 polycyclic aromatic hydrocarbon metabolites in urine of Czech mothers and newborns. Science of the Total Environment (2017) 577: 212–219. (doi: 10.1016/j.scitotenv.2016.10.165)

Lankova D., Urbancova K., Sram R.J., Hajslova J., Pulkrabova J.: A novel strategy for the determination of polycyclic aromatic hydrocarbon monohydroxylated metabolites in urine using ultra-high-performance liquid chromatography with tandem mass spectrometry. Analytical and Bioanalytical Chemistry (2016) 408: 2515–25. (doi: 10.1007/s00216-016-9350-1)

Lankova D., Svarcova A., Kalachova K., Lacina O., Pulkrabova J., Hajslova J.: Multi-analyte method for the analysis of various organohalogen compounds in house dust. Analytica Chimica Acta (2015) 854: 61–69. (doi: 10.1016/j.aca.2014.11.007)

 

 ◳ LC-QTOF-HRMS Synapt G2 (Waters)_2 (jpg) → (originál)Acquity UPLC liquid chromatograph coupled with Synapt G2 high resolution mass spectrometer (LC-HRMS)

The combination of ultrahigh-performance liquid chromatography with high-resolution mass spectrometry is a unique tool applied especially for metabolomics studies. Measurement of characteristic metabolomics fingerprints allows to control the quality of food, verification the authenticity of food and classification of the analyzed samples according to selected parameters. The mass spectrometer, thanks to its design, allows to perform various scientific experiments. Data from both MS1 and MS/MS modes can be obtained, and last but not least, additional ion separations using ion mobility can be used. This instrument can be operated both under electrospray conditions and chemical ionization at atmospheric pressure. This technique is suitable for the analysis of a wide range of substances present in the examined samples, both non-target analysis and the target analysis of selected compounds are in the application portfolio.

Examples of applications
  • Metabolomics studies focused on the authentication (confirmation of authenticity) of plant and animal food origin.
  • Metabolomics fingerprinting for the purpose of classifying samples, for example, according to geographical origin - verification of the declaration of the geographical origin of the food.
  • Demonstration of the presence of organic nanoparticles in fruit juices.

Publications

Navratilova K., Hrbek V., Kratky F., Hurkova K., Tomaniova M., Pulkrabova J., Hajslova J.: Green tea: authentication of geographic origin based on UHPLC-HRMS fingerprints. Journal of Food Composition and Analysis (2019) 78:121-128. (doi:10.1016/j.jfca.2019.02.004)

Hrbek, V., Rektorisova, M., Chmelarova, H., Ovesna, J., Hajslova, J.: Authenticity assessment of garlic using a metabolomic approach based on high resolution mass spectrometry. Journal of Food Composition and Analysis (2018) 67: 19-28. (doi: 10.1016/j.jfca.2017.12.020)

Hrbek V., Krtkova V., Rubert J., Chmelarova H., Demnerova K., Ovesna J., Hajslova J.: Metabolomic Strategies Based on High-Resolution Mass Spectrometry as a Tool for Recognition of GMO (MON 89788 Variety) and Non-GMO Soybean: a Critical Assessment of Two Complementary Methods. Food Analytical Methods (2017), 10 (11): 3723-3737. (doi: 10.1007/s12161-017-0929-8)

Krtkova V., Schulzova V., Lacina O., Hrbek V., Tomaniova M., Hajslova J.: Analytical strategies for controlling polysorbate-based nanomicelles in fruit juice. Anal. Bioanal. Chem., (2014)  406: 3909-3918. (doi: 10.1007/s00216-014-7823-7)

 ◳ SFC-QTOF-HRMS Synapt G2Si (Waters)_2 (jpg) → (originál)Aquity UPC2 supercritical fluid chromatograph coupled with Synapt G2 Si high-resolution mass spectrometer (SFC-HRMS)

Supercritical fluid chromatography is separation technique recently very popular in modern analytical chemistry. Thanks to the use of a supercritical fluid, carbon dioxide, it offers many undeniable advantages. Carbon dioxide is a non-polar mobile phase, thus this chromatographic technique is typically applied primarily for the analysis of non-polar components of the sample. Thanks to the possibility of using polar mobile phase modifiers, the application potential of this technique is extended by the possibility of analysis of medium-polar substances. A high-resolution mass spectrometer which can be operated under various measuring functions (MS1, MS / MS, ion mobility) is used for the detection of a wide spectrum of substances in many scientific studies.

Examples of applications
  • Metabolomics - lipidomic studies focused on a comprehensive examination of analyzed samples of plant and animal food origin.
  • Lipidomic fingerprinting in order to control the quality of food products - oils, chocolate and others.
  • Comprehensive lipidomic analysis of human plasma/serum samples.
  • Target analysis of natural biologically active substances - cannabinoids in hemp, hemp seeds, hemp oil and other hemp products.
  • Analysis of contaminants, especially in matrices with a higher fat content - determination of aflatoxins in nuts and other products.

Publications

Hrbek V.,  Ovesná J., Demnerová K.,  Hajšlová J.: Využití superkritické fluidní chromatografie pro lipidomické profilování sójového a kravského mléka: Autenticita a detekce falšování. Chemické listy (2015) 109: 518-526.

 ◳ Premier+Acquity+QDa (jpg) → (originál)Acquity UPLC liquid chromatograph coupled with Quattro Premier XE mass spectrometer (LC-MS/MS)

It is one of the first types of tandem mass spectrometers employing at our department, which is currently used to determine substances that are naturally present in higher concentrations in samples. The mass spectrometer includes an electrospray ion source and the analysis of ions is performed using a triple quadrupole by measuring the characteristic parent and daughter ions of the monitored analytes.

Examples of applications
  • Analysis of water-soluble vitamins, especially B vitamins.
  • Determination of hyaluronic acid, glucosamine, chondroitin.
  • Analysis of acrylamide - a process contaminant arising during the heat treatment of food, determined, for example, in samples of biscuits, chips, bread or, for example, coffee.

Publications

Belkova B., Hradecky J., Hurkova K., Forstova V., Vaclavik L., Hajslova J.: Impact of vacuum frying on quality of potato crisps and frying oil. Food Chemistry (2018) 241: 51-59. (doi: 10.1016/j.foodchem.2017.08.062)

Forstova V., Belkova B., Riddellova K., Vaclavik L., Prihoda J., Hajslova J.: Acrylamide formation in traditional Czech leavened wheat-rye breads and wheat rolls. Food Control (2014) 38:221–226. (doi: 10.1016/j.foodcont.2013.10.022)

 ◳ Acquity+ QDa (jpg) → (originál)Acquity UPLC liquid chromatograph coupled with QDa mass spectrometer (LC-MS)

It is a mass spectrometer using a single quadrupole analyzer. QDa is a relatively simple mass spectrometer at relatively low cost. In combination with high-performance liquid chromatography, it is a very efficient and user-friendly tool for routine analyzes, in which it can often replace conventional detectors that surpass their versatility. Due to its simple operation, the instrument is also used for teaching purposes for bachelor students at our faculty as a "first contact" of students with mass spectrometry.

Examples of applications
  • Determination of additives in food and beverages - especially dyes, sweeteners and preservatives of synthetic origin.
  • Determination of caffeine - in food and beverages.
  • Amino acid analysis - monitoring the representation and composition of amino acids in food.

Publications

Jiru M., Stranska-Zachariasova M., Kocourek V., Krmela A., Tomaniova M., Rosmus J., Hajslova J.: Authentication of meat species and net muscle proteins: updating of an old concept. Czech Journal of Food Sciences (2019) 37:205-211. (doi: 10.17221/94/2019-CJFS)

 ◳ TripleTQF (jpg) → (originál)Dionex UltiMate 3000 U-HPLC liquid chromatograph coupled with TripleTOFTM 6600 high resolution tandem mass spectrometric detector (LC-HRMS)

This instrument uses Quadrupole-Time-of-Flight (Q-TOF) technology to measure at high resolution and accurate mass. At the same time, it is possible to select the precursor ion in the quadrupole and obtain MS-MS spectra, thus obtaining a higher selectivity as well as confirming the identity of the analytes by comparison with MS-MS libraries. Electrospray and chemical ionization techniques at atmospheric pressure are available for ionization of substances. SelexIon differential ion mobility technology is also available. It is also possible to connect a conventional diode array detector in series to the device. The device is mainly used for non-target analyzes within metabolomics and identification and confirmation of present substances as well as for the purpose of target search for substances and confirmation of their presence in the analyzed samples.

Examples of applications
  • Non-target analysis for food authentication and detect of adulteration.
  • Metabolomics studies in order to classify samples according to the examined parameters (geographical origin; influence of cultivation, harvesting, technological modifications, treatment of samples; variety, etc.)
  • Multiresidual analysis of pesticides and mycotoxins in food

Publications

Rubert, J.; Lacina, O.; Zachariasova, M.; Hajslova, J. Saffron authentication based on liquid chromatography high resolution tandem mass spectrometry and multivariate data analysis. Food Chemistry 2016, 204, 201–209

Rubert, J.; Lacina, O.; Fauhl-Hassek, C.; Hajslova, J. Metabolic fingerprinting based on high-resolution tandem mass spectrometry: a reliable tool for wine authentication. Analytical and Bioanalytical Chemistry 2014, 406, 6791–6803

Righetti, L.; Rubert, J.; Galaverna, G.; Folloni, S.; Ranieri, R.; Stranska-Zachariasova, M.; Hajslova, J.; Dall'Asta, C. Characterization and discrimination of ancient grains: A metabolomics approach. International Journal of Molecular Sciences 2016, 17, 1217

Hurkova, K.; Rubert, J.; Stranska-Zachariasova, M.; Hajslova, J. Characterization and Strategies to document adulteration of food supplement based on sea buckthorn oil: a case study. Food Analytical Methods 2016. DOI: 10.1007/s12161-016-0674-4

Hurkova K., Uttl L., Rubert J., Navratilova K., Kocourek V., Stranska- Zachariasova M., Paprstein F., Hajslova J.: Cranberries versus lingonberries: A challenging authentication of similar Vaccinum fruit. Food Chemistry (2019) 284:162-170. (doi: 10.1016/j.foodchem.2019.01.014)

Uttl L., Hurkova K., Kocourek V., Pulkrabova J., Tomaniova M. Hajslova J.: Metabolomics-based authentication of wines according to grape variety. Czech Journal of Food Sciences (2019) 37(4): 239-245. (doi: 10.17221/82/2019-CJFS)

Lacina O., Zachariasova M., Urbanova J., Vaclavikova M., Cajka T., Hajslova J. Critical assessment of extraction methods for the simultaneous determination of pesticide residues and mycotoxins in fruits, cereals, spices and oil seeds employing ultra–high performance liquid chromatography–tandem mass spectrometry. Journal of Chromatography A 2012, 1262, 8 – 18.

Veprikova Z., Vaclavikova M., Lacina O., Dzuman Z., Zachariasova M., Hajslova J. Occurrence of mono- and di-glycosylated conjugates of T-2 and HT-2 toxins in naturally contaminated cereals. World Mycotoxin Journal 2012, 5, 231–240

  

 ◳ Agilent 6560 (jpg) → (originál)Agilent 6560 Ion Mobility Q-TOF LC/MS (Agilent Technologies) 

Liquid chromatograph Agilent Infinity 1290 coupled with Drift Tube Ion Mobility, Quadrupole Time-of-Flight mass spectrometer and DAD detector (Agilent 6560)

This instrumental system combines the benefits of high-performance liquid chromatography, high-resolution tandem mass spectrometry with a time of flight and quadrupole analyser (Q-TOF), and ion mobility in a drift tube (DTIM) to perform highly efficient three-dimensional ion separation. The mass spectrometer is equipped with the Agilent Jet Stream (AJS) ion source, which provides significantly higher sensitivity compared to traditional electrospray. The instrumentation has a broad application potential for both target and non-target analyses of complex matrices.

Main benefits of the Agilent 6560 Ion Mobility Q-TOF LC/MS system:

Separation of structural isomers - separation of isobaric compounds in ion mobility allows to study their structure and conformation; at the same time it allows to directly measure the collision cross section values without reference standards or calibration curve, providing information about the size of analysed molecules
Increased peak capacity - efficient separation of individual compounds in complex matrices thanks to the combination of UHPLC, ion mobility and high-resolution mass spectrometry
Identification and confirmation of minor components - thanks to the possibility of chemical background elimination in ion mobility and high sensitivity achieved by ion optics, which is ideal for example for the detection of small amounts of contaminants in complex matrices; detection in All Ions MS/MS mode then allows unambiguous identification of analytes
Study of the native structure of proteins - an easy study of the structure of proteins and peptides in the gas phase; the preservation of the native structure is achieved even with labile proteins by minimizing the ion’s energy

 ◳ Agilent (png) → (originál)

In addition to the above, the system is beyond equipped with an additional non-destructive diode array detector and thus allows to perform the analyses in the LC-DAD-(IM)-Q-TOF setup. At the Department of Food Analysis and Nutrition UCT Prague, this instrumental system is widely used mainly for the analyses within the so-called ‘omics’ disciplines (metabolomics, lipidomics) and for the separation of isomeric compounds which cannot be separated by common chromatographic techniques. The ongoing studies include analysis of lipidome in human blood plasma, analysis of pesticide metabolites, metabolomics profiling of Cannabis bioactive compounds, or study of isomeric forms of mycotoxins and various bioactive substances (e.g. silymarin).

Publications

Fenclova M., Stranska-Zachariasova M., Benes F., Novakova A., Jonatova P., Kren V., Vitek L., Hajslova J.: Liquid chromatography–drift tube ion mobility–mass spectrometry as a new challenging tool for the separation and characterization of silymarin flavonolignans. Analytical and Bioanalytical Chemistry (2020) 412(4): 819-832. (doi: 10.1007/s00216-019-02274-3)

Viktorova J., Stranska-Zachariasova M., Fenclova M., Vitek L., Hajslova J., Kren V., Ruml T.: Complex Evaluation of Antioxidant Capacity of Milk Thistle Dietary Supplements. Antioxidants (2019) 8(8): 317. (doi: 10.3390/antiox8080317)

Bechynska K., Daskova N., Vrzackova N., Harant K., Heczkova M., Podzimkova K., Bratova M., Dankova H., Berkova Z., Kosek V., Zelenka J., Hajslova J., Sedlacek R., Suttnar J., Hlavackova A., Bartonova L., Cahova M.: The effect of ω-3 polyunsaturated fatty acids on the liver lipidome, proteome and bile acid profile: parenteral versus enteral administration. Scientific Reports (2019) 9: 19097. (doi: 10.1038/s41598-019-54225-8)

Schusterova D., Suchanova M., Pulkrabova J., Kocourek V., Urban J., Hajslova J.: Can occurrence of pesticide metabolites detected in crops provide the evidence on illegal practices in organic farming? Journal of Agricultural and Food Chemistry (2019) 67(22): 6102-6115. (doi: 10.1021/acs.jafc.8b06999)

Righetti L., Fenclova M., Dellafiora L., Hajslova J., Stranska-Zachariasova M., Dall’Asta C.: High resolution-ion mobility mass spectrometry as an additional powerful tool for structural characterization of mycotoxin metabolites. Food Chemistry (2018) 245: 768-774. (doi: 10.1016/j.foodchem.2017.11.113)

 ◳ AutoPure-LCT Premier XE (jpg) → (originál)AutoPure prep LC – LCT Premier XE (Waters)

Preparative liquid chromatograph Waters AutoPurification System coupled with high-resolution mass spectrometer Waters LCT Premier XE

Preparative chromatography is used to purify and isolate biologically active compounds (or groups of compounds) from extracts of various matrices for their further study. The chromatographic system consists of the following parts; (i) a quaternary gradient pump (Waters 2545 Quaternary Gradient Module), (ii) a system fluidics organizer (SFO) allowing automatic switching between analytical and preparative separation mode with up to three analytical and two preparative columns, (iii) flow splitter (8-30 ml, 1000: 1), (iv) 515 make-up pump, (v) sample injector/fraction collector (Waters 2767 Sample Manager) for analytical/preparative operation mode, with separate fluid paths for injection and collection of sample fractions. Thanks to the connection with a high-resolution mass spectrometer with TOF analyser (Waters LCT Premier XE), it is possible to collect fractions not only depending on the elution time of analytes but especially selectively based on a defined exact mass (m/z) of ions of the compounds of interest. The system is equipped with an electrospray as an ionization source. Thanks to its robustness and flexible configuration, the system is suitable for purification of material in the order of milligrams to several grams while the high purity and yield of isolated compounds are maintained.

At the Department of Food Analysis and Nutrition UCT Prague, this instrumental system is used for isolation of glycosylated mycotoxins, or fractionation of extracts of various plant materials for chemical characterization purposes and further study of biological activities of individual obtained fractions.

 ◳ Agilent 6495 (jpg) → (originál)Agilent 6495 Triple Quadrupole LC/MS (Agilent Technologies)

Liquid chromatograph Agilent 1290 Infinity II coupled with tandem mass spectrometer Agilent Triple Quadrupole 6495

This instrument is due to its sensitivity and selectivity suitable for the routine analysis of the broad range of biologically active compounds. It is used for analyses of environmental contaminants (e.g. per- and polyfluoroalkylated substances and brominated flame retardants within the human biomonitoring studies), phytocannabinoids and pesticide residues. Also, the analyses of the other significant groups of contaminants, e.g. bisphenols and organophosphate flame retardants in various types of environmental samples are performed on this instrument. The triple quadrupole mass spectrometer works based on the principle of monitoring the specific transitions between precursor and product ions of the target compounds. The ionization of analytes is performed by electrospray ionization technique.

Application examples

• Analysis of perfluoroalkylated substances, brominated and organophosphate flame retardants in water, food, biological and environmental samples
• Analysis of bisphenol A and its derivates in biological samples
• Analysis of pesticide residues in water, fruits, vegetables, teas, and cereals
• Analysis of phytocannabinoids and their metabolites in biological samples
• Analysis of plant alkaloids in spices, teas, cereals, and pseudo cereals
• Analysis of migrants from food packaging

 ◳ Agilent 6495C (jpg) → (originál)Agilent 6495C Triple Quadrupole LC/MS (Agilent Technologies)

Liquid chromatograph Agilent 1290 Infinity II coupled with tandem mass spectrometer Agilent Triple Quadrupole 6495C

This instrumental system combines the advantages of ultra-performance liquid chromatography and tandem mass spectrometry consisting of a new generation MS system A6495C (triple quadrupole analyser). The instrumentation is especially used for trace analyses, such as analysis of food contaminants, where the very low detection limits (up to 0.001 mg/kg) need to be achieved. The 3rd generation of this detector type provides sufficient mass resolution up to 3000 m/z. For the multiresidual analyses, the dMRM acquisition mode is used, allowing to monitor specific transitions between the precursor and product ions for high number of substances in a certain time interval while maintaining sufficient sensitivity and selectivity. This instrumentation is mainly used for analysis of pesticide residues in a large variety of food commodities, providing the detection and confirmation of up to 400 different compounds within a short period of time. The application scope includes fast screening of the substances present in the sample, as well as their confirmation and very fast quantification using Agilent MassHunter software. For the ionization of analytes, the electrospray technique is used. The Vent-free ion source equipped with the VacSchield system enables to maintain a vacuum in the MS system during service.   


Updated: 20.8.2021 14:26, Author: Martina Vlčková

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