UCTP-REFINE Lab is a research group at the University of Chemistry and Technology Prague focused on sustainable waste valorization, chemical recycling, and the production of alternative feedstocks for chemicals and fuels. The team combines chemical engineering, catalysis, and advanced analytical chemistry to study the thermal and catalytic conversion of complex waste streams, particularly plastics, tires, and biomass, including pyrolysis and upgrading of resulting oils. A strong emphasis is placed on comprehensive characterization of feedstocks, intermediates, and products to link composition and process conditions with product quality and support the development of circular, resource-efficient technologies.<h3>PhD position Chemometric processing of GC×GC data from alternative fuels and oils produced via thermochemical conversion of biomass and plastics</h3><h4>Expected experience:</h4><ul><li>Master's degree in chemistry or chemical engineering</li><li>Strong background in analytical chemistry and chemistry in general; a background in chemical engineering is beneficial</li><li>Experience with chromatography is mandatory.</li><li>Experience with chemometric data processing (e.g. in Python) and GC×GC is not required but is beneficial.</li><li>Top-level English, both spoken and written, ideally proven by a certificate.</li></ul><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/refine_lab_equipment_33ff27095e.jpg" alt="UCTP-REFINE-lab: Process Gas Chromatograph with Electrolyzer" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_refine_lab_equipment_33ff27095e.jpg 208w," sizes="100vw" width="500" height="375"><h4>Expected work:</h4><ul><li>Close collaboration with all involved colleagues and relevant partners from the project consortium.</li><li>GC×GC analysis of complex samples utilizing FID, MS and NCD detectors.</li><li>The focus will be on alternative fuels and oils from thermochemical depolymerisation of biomass and plastics, as well as the samples after hydrotreating.</li><li>Advanced GC×GC data processing using chemometrics for prediction model development.</li><li>Participation also in sample production.</li><li>Contribution to project reports, publications, and conference presentations.</li></ul><h4>What we offer:</h4><ul><li>A young but fast-growing Team with strong international collaborations with academia and industry.</li><li>Top-level facilities and expertise in hydrotreating and liquid product analysis.</li><li>Work on a prospective topic in close collaboration with top EU companies as part of a demonstration EU project.</li><li>Competitive income, which level depends entirely on your activity and productivity.</li></ul>Questions? Feel free to contact our students Adham (yaghia@vscht.cz) or Vít (vyskocit@vscht.cz).<ul><li>Preferred start: early 2027</li><li>Application deadline: 30th October 2026</li><li>Funding: Fully funded PhD position as part of an upcoming HE project.</li></ul>If you are interested and meet the criteria, apply through the application form below.<blockquote><a target="_blank" rel="noopener noreferrer" href="https://www.uctp-refine-lab.com/joining-our-team-form-gcxgc">Apply through this form</a></blockquote>

PhD position Chemometric processing of GC×GC data from alternative fuels and oils

Compositional and Metabolomic Characterization of Major On-Farm Side Streams and Derived Products of Industrial Fine-Flavor Cocoa Processing

The integrity of sport depends on the ability to detect prohibited substances accurately, reliably and with confidence. However, as doping strategies become increasingly sophisticated, the analytical demands placed on anti-doping laboratories continue to evolve.Today’s laboratories must do more than test for a static list of known compounds. They need broad analytical strategies capable of addressing hundreds of substances across multiple chemical classes, identifying emerging threats and supporting defensible confirmation and reporting of adverse analytical findings. For more than 25 years, Thermo Fisher Scientific has worked globally with World Anti-Doping Agency (WADA)-accredited laboratories to advance the analytical science supporting modern anti-doping programs.<h3>Anti-doping testing is a moving target</h3>The World Anti-Doping Agency publishes an annually updated Prohibited List that provides a global framework for testing programs. Yet the list is non-exhaustive, meaning laboratories may also need to detect structurally related compounds and substances across several categories, with similar chemical structure and biological activity. That creates a significant analytical challenge. Anti-doping laboratories must be prepared to monitor a broad range of compounds while maintaining the sensitivity, specificity, and confidence required for both initial testing and confirmation. At the same time, the landscape continues to change. Emerging substances, rapidly expanding doping strategies and new approaches to sample collection and analysis are creating multiple considerations for anti-doping laboratories to consider. Dried blood spots (DBS), for example, have gained attention as a complementary approach to traditional urine and venous blood collection supporting applications such as detecting steroid esters and monitoring peptides. High-resolution mass spectrometry is also enabling laboratories to consider both targeted analysis and retrospective interrogation of previously acquired data as scientific knowledge and regulations evolve.<h3>From screening to confident confirmation</h3>No single analytical technique can address every anti-doping challenge.With respect to chemical analysis of toxicologically relevant compounds, modern doping control laboratories employ complementary technologies—including liquid chromatography-mass spectrometry (LC-MS), gas chromatography-mass spectrometry (GC-MS) and isotope ratio mass spectrometry (IRMS)—depending on the compounds and analytical questions involved.For initial testing, laboratories may need to efficiently screen biological samples for numerous prohibited substances spanning categories such as steroids, stimulants, metabolic modulators, diuretics, narcotics, cannabinoids and peptides.When &nbsp;an initial Testing Procedure produces a result requiring confirmation, laboratories need analytical approaches capable of supporting confident confirmation.This combination of broad screening and targeted confirmation has made mass spectrometry central to modern anti-doping science.<h3>Expanding possibilities with LC-MS</h3>High-resolution accurate-mass mass spectrometry can provide precise mass measurements while supporting comprehensive screening of known and suspected substances, while preserving information-rich data that can support investigation of emerging or previously untargeted compounds.An important advantage of high-resolution mass spectrometry is the ability to revisit previously acquired data. As new substances, metabolites or other analytical targets are identified, laboratories can potentially re-process previously acquired full scan data (and any corresponding MSn experiment) without reanalyzing the original sample. This strategy is currently used by laboratories to support global re-testing programs.&nbsp; Triple quadrupole <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/products?category=20&amp;manufacturerItems=3">LC-MS</a> can complement these workflows by supporting sensitive, targeted quantitation and confirmation of prohibited substances.Together, these approaches provide laboratories the flexibility needed to address today’s testing requirements while giving laboratories greater flexibility to respond to emerging analytical challenges.<h3>The continuing role of GC-MS/MS</h3>Gas chromatography coupled with triple quadrupole mass spectrometry remains an important technology in anti-doing laboratories, particularly for urinary steroid profiling and the screening and confirmation of anabolic- &nbsp;androgenic steroids and other GC-amenable prohibited substances.GC-MS/MS can support both screening and confirmation while providing the sensitivity, selectivity and dymanic range required for screening and confirmatory analysis.The <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/485">Thermo Scientific TSQ 9610 Triple Quadrupole GC-MS</a> is designed to maximize sample throughput, helping laboratories address the demands of routine testing while maintaining analytical performance across a wide dynamic range. &nbsp;The TSQ 9610 incorporates NeverVent technology, designed to increase instrument uptime by reducing the disruption associated with routine source maintenance.As anti-doping workflows evolve, bridging screening and confirmation together within robust analytical strategies can help laboratories respond efficiently to increasingly complex testing requirements.<h3>When identifying a steroid isn’t enough</h3>In some anti-doping investigations, simply detecting a compound does not provide the complete answer.Testosterone, for example, can be produced naturally by the body or administered externally as an anabolic steroid. In cases where laboratories need to distinguish between endogenous and exogenous sources, isotope ratio mass spectrometry can provide another layer of information.GC-IRMS can help laboratories determine whether selected urinary steroids are consistent with an endogenous or exogenous origin by comparing carbon isotope ratios.The result is an analytical toolkit in which different technologies answer different questions—from broad screening and sensitive confirmation to determining the origin of a compound.<h3>Putting advanced workflows into practice</h3>Technology is only part of the equation. Real-world anti-doping laboratories also need to manage high sample volumes, turnaround expectations and continually changing analytical requirements.At Laboratoire Anti-Dopage Français (LADF), Director Dr. Magnus Ericsson and his team use advanced mass spectrometry workflows to support anti-doping testing.According to Ericsson, integration of <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products?category=20&amp;manufacturerItems=3">Thermo Scientific TSQ</a> and <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products?category=37&amp;manufacturerItems=3&amp;search=vanquish">Vanquish systems</a> has helped enhance efficiency and turnaround while supporting more than 40,000 sample analyses since 2023.Experiences like these demonstrate how integrated analytical workflows can help laboratories translate advances in mass spectrometry into routine anti-doping operations.<h3>Preparing for what comes next</h3>Anti-doping science has advanced dramatically—from early testing approaches to today’s sophisticated, — mass spectrometry technologies; including but not limited to <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/products?category=20&amp;manufacturerItems=3">GC-MS/MS</a>, <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/products?category=20&amp;manufacturerItems=3">LC-MS/MS</a>, <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products?category=22&amp;manufacturerItems=3">high-resolution accurate-mass MS</a> and<a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/products?category=351&amp;manufacturerItems=3"> isotope ratio MS</a> workflows.But the science cannot stand still.Emerging compounds, evolving regulations and increasingly sophisticated doping strategies mean laboratories must continually evaluate how they manage and process samples and then screen, identify, quantify and confirm prohibited substances. The goal remains constant: provide accurate, high-quality analytical results that help protect the integrity of competition.Explore the technologies, workflows and expert perspectives shaping the next generation of anti-doping testing in our comprehensive eBook, Upholding the Integrity of Sport.<blockquote><h5><a target="_blank" rel="noopener noreferrer" href="https://documents.thermofisher.com/TFS-Assets/CMD/brochures/eb-004467-cl-cmd-ms-antidoping-eb004467-na-en.pdf">Download the anti-doping eBook</a></h5></blockquote>Visit us on&nbsp;<a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/72003132/admin/dashboard/">LinkedIn:</a>&nbsp;#AntiDoping #MassSpectrometry #SportsIntegrity #WADA

Advancing Anti-Doping Science: Analytical Strategies for the Evolving Fight Against Doping

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UCTP-REFINE Lab is a research group at the University of Chemistry and Technology Prague focused on sustainable waste valorization, chemical recycling, and the production of alternative feedstocks for chemicals and fuels. 

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LECO ChromaTOF Identification Grading System

ChromaTOF Identification Grading System assigns confidence scores to GC×GC-HRTOFMS identifications using accurate mass, spectra, fragments, and retention indices for faster, defensible results.

<h3>Bring the power of accurate mass and confidence to compound identification</h3>The LECO Identification Grading System™ (IGS™) is designed to simplify and accelerate data review by clearly indicating how confident you can be in each compound identification. By consolidating all available chemical evidence into a single, intuitive grading metric, IGS enables users to quickly justify identifications, report results with confidence, and make informed decisions on next analytical steps.IGS is tightly integrated with data generated by the Pegasus GC-HRT 4D platform and is especially powerful for non-targeted workflows, where large numbers of unknown or partially known compounds must be evaluated efficiently and objectively.<h3>Key Features</h3>The Identification Grading System leverages the full chemical information content produced by GC×GC-HRTOFMS to strengthen confidence in “unknown unknown” identification.Each compound identification is assigned a grade based on four independent criteria:<ul><li>Presence and accurate mass of the molecular ion</li><li>Presence and strong spectral similarity score from a curated reference library</li><li>Accurate mass agreement of chemically reasonable fragment ion formulae associated with the library hit</li><li>Retention index agreement with the corresponding library entry</li></ul>The resulting numerical grade provides an immediate, transparent indicator of identification confidence—the higher the grade, the stronger the supporting evidence.<h3>Theory of Operation</h3>The full potential of confident identification is realized through the combined capabilities of comprehensive two-dimensional gas chromatography (GC×GC) and high-resolution time-of-flight mass spectrometry (TOFMS).GC×GC separates co-eluting species that would otherwise interfere with spectral interpretation, producing significantly cleaner mass spectra. High-resolution TOFMS delivers accurate, unskewed mass spectra across the entire chromatographic peak, including extremely narrow second-dimension peaks. When combined with advanced deconvolution, this results in exceptionally high-quality spectral information.Developed in response to the challenges highlighted by the U.S. EPA’s Non-Targeted Analysis Collaborative Trial (ENTACT), IGS directly addresses the time-consuming and subjective nature of traditional data review. It provides a systematic, evidence-based approach to filtering large result sets and focusing attention on the most reliable identifications.<h4>Practical Impact in Non-Target Analysis</h4>In GC×GC-TOFMS datasets from the EPA ENTACT challenge, unfiltered deconvolution can yield thousands of tentative identifications. Applying the IGS filter dramatically reduces this number, immediately highlighting the most confident matches and allowing analysts to focus on true unknowns with high priority.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/LECO_Identification_Grading_System_3_9b33a4d091.jpg" alt="LECO: Identification Grading System" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_LECO_Identification_Grading_System_3_9b33a4d091.jpg 245w," sizes="100vw" width="513" height="120">In blind ENTACT samples, IGS correctly identified approximately 80% of known compounds introduced into the sample, demonstrating that the combination of GC×GC separation and high-resolution TOFMS is essential for high-confidence non-target identification.

LECO ChromaTOF Sync

ChromaTOF Sync co-processes Pegasus BT GC–MS sample sets to generate a single unified peak table, enabling cleaner deconvolution, trend analysis, and confident non-target data interpretation.

ChromaTOF Sync is an advanced peak-finding and data alignment solution designed for sample sets acquired on LECO Pegasus BT series GC–MS systems. By extending ChromaTOF’s proven peak-finding algorithms and deconvolution capabilities, Sync enables multiple samples to be processed together, generating a single, unified peak table for the entire sample set.This collective approach allows laboratories to move beyond isolated sample evaluation toward true sample-set intelligence. Compiled chemical information supports comprehensive non-target data review, making it easier to identify similarities, differences, and trends across complex datasets.<h4>How ChromaTOF Sync Works</h4>The Pegasus GC–MS platform produces exceptionally information-rich datasets. However, extracting meaningful insights from large sample sets can be challenging without specialized tools. ChromaTOF Sync addresses this by co-processing BT data, leveraging shared chemical information across all samples to align peaks, refine deconvolution, and generate one consolidated peak table.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/LECO_Chroma_TOF_Sync_Analyza_dat_GC_TOFMS_1eeb398516.jpg" alt="LECO: ChromaTOF Sync" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_LECO_Chroma_TOF_Sync_Analyza_dat_GC_TOFMS_1eeb398516.jpg 245w," sizes="100vw" width="1133" height="555">By using the full context of the dataset, Sync delivers results that are greater than the sum of individual analyses. Users benefit from cleaner deconvoluted spectra, improved peak alignment, clearer trend identification, and integrated statistical tools that accelerate confident data interpretation.<h4>Advanced Data Processing and Visualization</h4>ChromaTOF Sync was developed and validated using real-world experimental datasets. Retention time shifts, difficult peak shapes, and wide analyte dynamic ranges are automatically corrected and aligned, simplifying downstream review.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/LECO_Chroma_TOF_Sync_Analyza_dat_GC_TOFMS_2_aeb513cd50.jpg" alt="LECO: ChromaTOF Sync" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_LECO_Chroma_TOF_Sync_Analyza_dat_GC_TOFMS_2_aeb513cd50.jpg 245w," sizes="100vw" width="416" height="150">The interactive application interface provides:<ul><li>Combined peak tables for the full sample set</li><li>Overlaid chromatograms for direct comparison</li><li>High-quality deconvoluted mass spectra</li><li>Interactive plots highlighting peak shape, repeatability, and trends</li><li>Spectral filters and visualization tools for monitoring chemical behavior across samples</li></ul>These features enable efficient exploration of complex datasets without manual reconciliation of individual files.

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Advancing Anti-Doping Science: Analytical Strategies for the Evolving Fight Against Doping

PhD position Chemometric processing of GC×GC data from alternative fuels and oils

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