<p><strong>🎤Francis Femi Oloy</strong></p><p><strong>In this episode of Concentrating on Chromatography, David speaks with Francis Femi Oloy about using chromatography to uncover hidden pollutants in real-world water systems.</strong></p><p>Femi’s team analyzed polychlorinated biphenyls (PCBs) in six major rivers in southwestern Nigeria — compounds that were banned decades ago but still persist in the environment. Using a workflow that many analytical labs will recognize — liquid–liquid extraction, cleanup, rotary evaporation, nitrogen blowdown, and GC-ECD detection — they quantified 25 PCB congeners at trace levels and linked the results to ecological and human health risk.</p><h4><strong>In this conversation, we cover:</strong></h4><ul><li>Why legacy pollutants like PCBs still show up today</li><li>Choosing GC-ECD vs LC-MS for halogenated compounds</li><li>Liquid–liquid extraction and matrix cleanup strategies</li><li>Why sample concentration is critical for dilute environmental samples</li><li>How rotovap + nitrogen blowdown work together without losing volatile analytes</li><li>Seasonal trends (why wet season levels were higher)</li><li>Translating concentration data into meaningful risk assessments</li></ul><h3><strong>Video Transcription</strong></h3><section><div><div><div><div><div><div><p><strong>Persistent organic pollutants</strong> such as polychlorinated biphenyls (<strong>PCBs</strong>) remain a significant environmental concern despite decades of regulatory restrictions. In this interview, Francais Femi Oloy discusses the environmental and analytical challenges associated with monitoring PCB contamination in rivers of southwestern Nigeria, a rapidly industrializing region where urban growth, industrial activity, agriculture, and dense populations intersect with extensive aquatic systems.</p><p>Oloy explains that his interest in environmental contaminant analysis emerged from observing unexplained health problems and environmental degradation while growing up in Nigeria. This motivated his transition into organic and environmental chemistry, with a focus on identifying pollutants present in drinking water, agricultural soils, and food systems. Southwestern Nigeria, particularly the Lagos region, represents a critical environmental monitoring area due to intense industrial development, shipping activity, and widespread human dependence on rivers for domestic use, agriculture, and fishing.</p><p>Although PCBs are considered “<strong>legacy pollutants</strong>” and are no longer intentionally produced, the interview highlights why they continue to persist in aquatic environments. Old electrical transformers and aging industrial equipment still contain PCB residues, while historical contamination stored in river sediments can become remobilized during flooding, dredging, or sediment disturbance. Because PCBs are hydrophobic and resistant to degradation, they preferentially accumulate in sediments and bioaccumulate through aquatic food chains, creating long-term environmental and human exposure risks.</p><p>A major focus of the discussion centers on the analytical workflow used for PCB determination in environmental water samples. Composite river water samples were collected in amber glass bottles to avoid contamination and photodegradation, preserved with sodium azide to minimize microbial activity, and stored under cooled conditions prior to extraction. The analytical protocol employed <strong>liquid–liquid extraction</strong> using dichloromethane (DCM) and hexane to recover both polar and nonpolar PCB congeners. Oloy emphasizes that liquid–liquid extraction was selected over solid-phase extraction (SPE) because of concerns about congener retention within sorbent materials and clogging issues associated with large-volume environmental samples.</p><p>Following extraction, concentration and cleanup represented critical analytical stages due to the trace-level occurrence and volatility of PCBs. Silica and alumina cleanup procedures were used to remove matrix interferences prior to instrumental analysis. The concentration workflow combined rotary evaporation for bulk solvent reduction with nitrogen blowdown for final volume reduction to less than 1 mL, while carefully avoiding excessive temperature or complete dryness to minimize analyte loss. Oloy repeatedly stresses that improper concentration procedures are among the most common causes of analytical failure in PCB analysis.</p><p>For instrumental determination, the study utilized <strong>gas chromatography coupled with electron capture detection (GC-ECD)</strong> rather than LC-MS or GC-MS. According to Oloy, GC was preferred because PCBs are sufficiently volatile for gas chromatographic separation, while ECD provided superior sensitivity and selectivity for chlorinated compounds at environmentally relevant concentrations. The interview also discusses analytical validation strategies, including the use of surrogate standards to assess <strong>recoveries,</strong> which ranged from approximately <strong>85% to 114%</strong>, and signal-to-noise-based determination of detection limits.</p><p>The study further examined <strong>seasonal variations in PCB concentrations</strong>, revealing <strong>higher levels during the wet season</strong>. This observation was attributed to rainfall-driven runoff from contaminated infrastructure, sediment resuspension, and lower temperatures that reduce volatilization losses. To communicate toxicological relevance beyond simple concentration reporting, the researchers also calculated <strong>toxic equivalency values (TEQs)</strong>, converting mixtures of PCB congeners into biologically meaningful toxicity estimates comparable to dioxin toxicity metrics.</p><p>Beyond environmental monitoring, Oloy highlights broader research interests focused on <strong>pollutant remediation and sustainable environmental protection</strong>. His group is also involved in developing catalytic materials capable of degrading or removing persistent contaminants from environmental systems. Throughout the discussion, he emphasizes that analytical chemistry plays a central role not only in detecting pollutants, but also in enabling prevention, remediation, and long-term environmental management strategies.</p></div></div></div></div></div></div></section><blockquote><p><strong>This text has been automatically transcribed from a video presentation using AI technology. It may contain inaccuracies and is not guaranteed to be 100% correct.</strong></p></blockquote><blockquote><h4><strong>Concentrating on Chromatography Podcast</strong></h4><p>Dive into the frontiers of chromatography, mass spectrometry, and sample preparation with host David Oliva. Each episode features candid conversations with leading researchers, industry innovators, and passionate scientists who are shaping the future of analytical chemistry. From decoding PFAS detection challenges to exploring the latest in AI-assisted liquid chromatography, this show uncovers practical workflows, sustainability breakthroughs, and the real-world impact of separation science. Whether you’re a chromatographer, lab professional, or researcher you'll discover inspiring content!</p><p>You can find <strong>Concentrating on Chromatography Podcast </strong>in podcast apps:</p><ul><li><a target="_blank" rel="noopener noreferrer" href="https://open.spotify.com/show/1wZg67rCjoGju4yhqxI3tL"><strong>Spotify</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://podcasts.apple.com/tz/podcast/concentrating-on-chromatography/id1788429185"><strong>Apple podcast</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://podscan.fm/podcasts/concentrating-on-chromatography"><strong>podscan</strong></a></li></ul><p>and on <a target="_blank" rel="noopener noreferrer" href="https://www.youtube.com/@ChromatographyTalk/videos"><strong>YouTube channel</strong></a></p></blockquote>

Tracking Toxic PCBs in River Water using Gas Chromatography–Electron Capture Detection

<p><strong>This study presents a high-temperature GC-APCI-MS/MS method for detecting large polycyclic aromatic hydrocarbons in pyroplastics and environmental samples. The approach enables sensitive analysis of PAHs with molecular weights from 314–424 Da without extensive cleanup or fractionation.</strong></p><p>Application to pyroplastics from the M/V X-Press Pearl fire revealed substantially elevated levels of large PAHs compared to unburnt plastics. Several compounds, including 1,3,5-triphenylbenzene, emerged as promising markers for identifying pyroplastic contamination, supporting future monitoring of plastic burning, fires, and microplastic pollution.</p><blockquote><h4><strong>The original article</strong></h4><h4><a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c11703"><strong>Gas Chromatography-Atmospheric Pressure Chemical Ionization (GC-APCI) Expands the Analytical Window for Detection of Large PAHs (≥24 Ringed-Carbons) in Pyroplastics and Other Environmental Matrices</strong></a></h4><p>Cara Megill, Douglas M. Stevens*, Christopher M. Reddy, Bryan D. James*, Robert K. Nelson, and Frank L. Dorman</p><p>ACS Omega 2026, 11, 7, 12321–12329</p><p><a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1021/acsomega.5c11703">https://doi.org/10.1021/acsomega.5c11703</a></p><h6>licensed under <a target="_blank" rel="noopener noreferrer" href="https://creativecommons.org/licenses/by/4.0/"><strong>CC-BY 4.0</strong></a></h6></blockquote><p><strong>Selected sections from the article follow. Formats and hyperlinks were adapted from the original.</strong></p><div><p>The measurement and reporting of polycyclic aromatic hydrocarbons (PAHs) are routine practices in environmental monitoring and risk assessment. <a href="javascript:void(0);">(1−3)</a> However, of the thousands of PAHs, only the 16 designated as Priority Pollutants by the U.S. Environmental Protection Agency (EPA16) are typically reported. <a href="javascript:void(0);">(4,5)</a> These span two to six ringed parent PAHs, ranging in molecular weight from 128 to 278 Da. It is well recognized that this limited analyte list drastically simplifies and misses a significant fraction of PAHs. <a href="javascript:void(0);">(4)</a> For example, the concentration of C<sub>1</sub>–C<sub>4</sub> alkylated PAHs can be greater than or equal to the concentration of the EPA16 in crude oils and fuels. <a href="javascript:void(0);">(6)</a> Expanding the analytical window of PAHs has proven valuable for forensic analysis of oil spills (e.g., alkylated and heterocycle-containing PAHs) and relevant for toxicological evaluation(e.g., oxygen-, nitrogen-, and sulfur-containing PAHs). <a href="javascript:void(0);">(3,7)</a> Moreover, the sources of PAHs have distinct compositions of PAHs, <a href="javascript:void(0);">(1,8)</a> which enables the use of PAHs for source apportionment. <a href="javascript:void(0);">(2,7)</a> Including alkylated and sulfur-containing PAHs (those beyond the EPA16) in the investigation of environmental samples and other matrices provides greater discriminating power between potential sources (using extracted ion chromatograms). <a href="javascript:void(0);">(3,7,9)</a> Additionally, monitoring the compositional changes of PAHs in the environment can inform about the fate and environmental processing of the matrix (e.g., oil weathering). <a href="javascript:void(0);">(2)</a> While these efforts have made strides in considering other PAHs, an environmentally relevant fraction of PAHs remains underutilized.</p><p>PAHs with more than six rings have been reported in diverse environmental matrices. <a href="javascript:void(0);">(10,11)</a> These large PAHs (≥24 ringed-carbons <a href="javascript:void(0);">(10)</a>) have been found in combustion-derived particulate matter, <a href="javascript:void(0);">(12−19)</a> urban dust, <a href="javascript:void(0);">(20−23)</a> refinery deposits, <a href="javascript:void(0);">(11)</a> coal tars and pitches, <a href="javascript:void(0);">(24−27)</a> cokes, <a href="javascript:void(0);">(28)</a> soils, <a href="javascript:void(0);">(20,22)</a> sediments, <a href="javascript:void(0);">(20−23)</a> and deep-sea hydrothermal vent bitumen. <a href="javascript:void(0);">(29)</a> Most reports of large PAHs in environmental matrices have been from analyses of U.S. National Institute of Standards and Technology (NIST) standard reference materials (SRMs); <a href="javascript:void(0);">(18,21−23,25,26,30)</a> a few 302 Da isomers have been certified in three SRM. <a href="javascript:void(0);">(31)</a> Nonetheless, isomers ranging from 326 to 374 Da have been reported in SRMs for urban dust (1649a/b), diesel particulate (1650b and 2975), coal tar (1597a), and marine sediment (1941b), displaying qualitative differences between the sources in their large PAH compositions; <a href="javascript:void(0);">(18,20,22,23,27)</a> thus, large PAHs should offer forensic utility.</p><p>Recent advances in soft ionization within an atmospheric pressure chemical ionization source for gas chromatography–mass spectrometry (GC-APCI) are well-suited for the analysis of large PAHs. Two contributing factors for this are the tolerance for high carrier gas flow rates by GC-APCI and the sensitivity of charge exchange APCI for aromatic species. <a href="javascript:void(0);">(48)</a> Increasing the carrier gas flow rate reduces the elution temperature of analytes, making many higher mass analytes accessible using a conventional GC and column, although poor thermal stability may still pose challenges for some analytes. <a href="javascript:void(0);">(49)</a> Classic vacuum-source GC/MS systems using electron ionization (EI) restrict the upper carrier gas flow allowed from the GC, and therefore, cannot fully utilize high GC carrier gas flows. The sensitivity of GC-APCI for components of petroleum, such as PAHs, has been previously reported. <a href="javascript:void(0);">(48)</a> Furthermore, unlike LC-APCI, which commonly exhibits protonation of analytes in positive ion mode, <a href="javascript:void(0);">(50)</a> GC-APCI+ can operate with dry source conditions. These conditions result in nitrogen-mediated charge exchange ionization and ions of the form M+<strong><sup>•</sup></strong>, the same form of molecular ion created using EI. As a result, because the charge site location on an ion dictates which product ions will be stable, the same multiple reaction monitoring (MRM) transitions can be used for both GC-APCI MS/MS and EI MS/MS. <a href="javascript:void(0);">(51)</a></p><p>Herein, a GC-APCI method was developed for the detection of large PAHs. Due to the limited availability of pure standards, previously characterized NIST SRMs were used in method development as sources of large PAHs. The values of the method and detection of large PAHs were demonstrated by analyzing environmental plastic samples collected after the M/V <i>X-Press Pearl</i> ship fire and plastic spill.</p><h4><strong>Materials and Methods</strong></h4><h5><strong>GC-APCI</strong></h5><p>The solvent extracts and dilutions were analyzed by GC-APCI on a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/554"><strong>Xevo TQ Absolute</strong></a> (Waters Corporation) tandem quadrupole mass spectrometer (TQ-MS/MS). The atmospheric pressure gas chromatography (APGC) ionization source was operated in charge transfer mode using dry N<sub>2</sub> as the reagent gas. Dry N<sub>2</sub> reagent gas creates molecular ions of the form M+<strong><sup>•</sup></strong> with no significant adduct formation for large PAHs. The high reagent gas flow rate of 350 mL/min into the ionization chamber, combined with low energies applied to the transfer optics from the atmospheric pressure region to the first quadrupole, leads to a high molecular ion survival rate. Furthermore, the use of MS/MS with quadrupoles operating at unit mass resolution prevents potential effects on response caused by adduct formation. Acquisitions were performed in positive ion, MRM mode. Two MRM transitions were used for each of the 16 precursor masses, ranging from 314 to 424 Da (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acsomega.5c11703/suppl_file/ao5c11703_si_001.pdf">Table S1</a>). No optimization of source conditions specific to the analysis of large PAHs was required. The list of 16 specific precursor masses targeted in this range was developed using multiple sources reporting large PAHs in NIST SRMs and samples from deep-sea hydrothermal vents. <a href="javascript:void(0);">(18,29,30)</a> The two transitions represented constant neutral losses of 2 and 4 Da at high collision energies of 60–100 eV, using N<sub>2</sub> as the collision gas.</p><p>For 1,3,5-TPB analysis, the APGC ionization source was operated in charge transfer mode using N<sub>2</sub> as the collision gas. Acquisitions were performed in positive ion, MRM mode, yielding six MRM transitions for analysis (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acsomega.5c11703/suppl_file/ao5c11703_si_001.pdf">Table S2</a>). Similar to the large PAHs, this analyte also shows neutral losses of 2 and 4 Da, reflecting behavior like that of the more condensed structures.</p><p>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890+GC"><strong>8890 GC (Agilent Technologies)</strong></a> was configured with N<sub>2</sub> as the carrier gas and an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=7&amp;search=Rxi-5HT"><strong>Rxi-5HT column (Restek)</strong></a> of 15 m in length, 0.25 mm inner diameter, and 0.10 μm film thickness. The split/splitless (SSL) injection port was operated at a 10:1 split ratio with a temperature of 380 °C. A 1 μL injection volume was used for all analyses. The temperature program was 30.8 min; it started by holding at 40 °C for 0.5 min, then ramped to 160 °C at 14 °C/min, followed by a ramp to 395 °C at 22 °C/min and a hold at the temperature for 11 min. The flow rate of the N<sub>2</sub> carrier gas was initially 0.60 mL/min, then ramped at 0.015 mL/min<sup>2</sup> to 0.90 mL/min, followed by a ramp at 0.150 mL/min<sup>2</sup> to 3.0 mL/min. To adapt the system for high-temperature work, the SSL was configured with a high-temperature septum (400 °C maximum), a 100% graphite liner O-ring, and a straight 4 mm inner diameter, wool-packed liner (450 °C maximum). Additional instrument and method details are included in the <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acsomega.5c11703/suppl_file/ao5c11703_si_001.pdf">Supporting Information</a>.</p><h4><strong>Results</strong></h4><h5><strong>Analysis of Large PAHs in Pyroplastic Samples by GC-APCI</strong></h5><p>Macroplastic and microplastic debris from the M/V <i>X-Press Pearl</i> ship fire and plastic spill were investigated for the presence and distribution of large PAHs. The field samples included white, unburnt polyethylene nurdles and two types of pyroplastic, termed burnt plastic and combustion remnant (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c11703#fig1">Figure 1</a>), both of which were polyethylene. <a href="javascript:void(0);">(43)</a> The types of pyroplastics were previously operationally defined based on the size and shape of the pieces. <a href="javascript:void(0);">(43)</a></p><p>Investigation of the 302 Da isomers revealed profiles similar to those of the SRMs; however, unique differences were observed (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acsomega.5c11703/suppl_file/ao5c11703_si_001.pdf">Figure S2</a>). Eighteen to twenty-one peaks were detected across the plastic samples. Compared with the SRMs, the pyroplastics showed decreases in the relative abundance of dibenzo[<i>a</i>,<i>e</i>]fluoranthene and increases in dibenzo[<i>a</i>,<i>h</i>]pyrene (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acsomega.5c11703/suppl_file/ao5c11703_si_001.pdf">Figure S2</a>). This trend was not the case for the white nurdle sample. Starting at a retention time of 16.80 min, two peaks were unique to the pyroplastic samples (not present in the SRMs and especially minor in the white nurdles). These peaks followed that for dibenzo[<i>a</i>,<i>h</i>]pyrene, which had previously been reported as the last detected 302 Da isomer compound in the SRMs, <a href="javascript:void(0);">(21)</a> supporting their novelty as marker compounds of pyroplastics.</p><p>The plastic samples displayed similarities and differences in the presence and distribution of large PAHs (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c11703#fig3">Figure 3</a>). The white nurdles, burnt plastic, and combustion remnant all contained high-intensity peaks at 20.50 min for 398 Da and 19.55 min for 374 Da. Peaks between 20.00 and 20.25 min of 398 Da and the 19.35 min peak of 374 Da were reduced in intensity for the pyroplastics compared to the white nurdles (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acsomega.5c11703/suppl_file/ao5c11703_si_001.pdf">Figure S3</a>). Conversely, the peaks between 18.50 and 18.75 min of 350 Da were more intense in the pyroplastics compared to the white nurdles.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ACS_Omega_2026_11_7_12321_12329_Figure_3_Comparison_of_the_resolved_isomers_for_398_374_and_350_Da_of_the_white_nurdles_burnt_plastic_and_combustion_remnant_pieces_ec390ebae3.jpg" alt="ACS Omega 2026, 11, 7, 12321–12329: Figure 3. Comparison of the resolved isomers for 398, 374, and 350 Da of the white nurdles, burnt plastic, and combustion remnant pieces collected from Pamunugama Beach, Sri Lanka, following the 2021 M/V X-Press Pearl ship fire and plastic spill." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ACS_Omega_2026_11_7_12321_12329_Figure_3_Comparison_of_the_resolved_isomers_for_398_374_and_350_Da_of_the_white_nurdles_burnt_plastic_and_combustion_remnant_pieces_ec390ebae3.jpg 232w," sizes="100vw" width="1600" height="1077"></p><p>The levels of all the targeted large PAHs were at least 2 orders of magnitude higher in the pyroplastics than in the white nurdles. These levels included the individual PAHs that were common to the pyroplastics. This trend mirrored that observed for smaller PAHs and the solvent-extractable content of the sample types. <a href="javascript:void(0);">(39,43,46)</a> There were also slight differences in the signatures of the large PAHs found in the pyroplastics. The 398 Da peak at 20.24 min, along with the 374 Da peak at 19.31 min and the 350 Da peak at 18.61 min, were more prominent in the combustion remnant compared to the burnt plastic (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acsomega.5c11703/suppl_file/ao5c11703_si_001.pdf">Figure S3</a>).</p><p>Similar to the differences in large PAH signatures between the SRMs, the plastic samples had different signatures. Such qualitative interpretation of extracted ion chromatograms is forensically accepted for distinguishing sources. <a href="javascript:void(0);">(3)</a> This feature can potentially be utilized to differentiate between plastic types (e.g., virgin, weathered, and partially combusted) as well as to identify sources of the large PAHs and the combustion temperature.</p><h4><strong>Conclusions</strong></h4><p>GC-APCI-MS/MS proved a useful technique for detecting large PAHs in diverse environmental matrices, including extracts from pyroplastic field samples. Despite a lack of widely available analytical standards for large PAHs, NIST SRMs provided ample material for method development for their detection. Nonetheless, with the increasing research on microplastics in the environment and their relevance to human health, an environmental SRM with certified values for large PAHs is needed, and pyroplastics may provide such a source of material. Large PAHs and 1,3,5-TPB were detected in pyroplastic field samples and hold promise as chemical markers for pyroplastics, complementing other means for their detection in environmental samples (e.g., appearance and physical properties). Due to the accessibility of GC-APCI, the detection of large PAHs can be integrated into workflows for evaluating environmental samples, including those for microplastics.</p></div>

Gas Chromatography-Atmospheric Pressure Chemical Ionization (GC-APCI) Expands the Analytical Window for Detection of Large PAHs (≥24 Ringed-Carbons) in Pyroplastics and Other Environmental Matrices

<p><strong>In the week of May 11, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.</strong></p><blockquote><h4><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></h4><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>5 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Thermo Fisher Scientific: Uncovering Microplastics: Identification, Quantification, and Exposure Assessment</strong></h5><ul><li>Tu, 12.5.2026 08:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/6136">Registration</a></li></ul><p>In this webinar, we will explore complementary analytical solutions for comprehensive microplastics characterization.</p><h5><strong>2. AZoM: From Lab to Line: Leveraging GC and Process MS for Petrochemical Gas Analysis</strong></h5><ul><li>We, 13.5.2026 16:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/6171">Registration</a></li></ul><p>Explore how GC and process MS work together in petrochemical workflows, combining detailed lab analysis with real-time gas monitoring for faster decisions.</p><h5><strong>3. Milestone: Modern Sample Prep for Organic Contaminants: PAHs, PFAS, MOSH/MOAH in Food</strong></h5><ul><li>We, 13.5.2026 16:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5822">Registration</a></li></ul><p>Learn how microwave-assisted extraction streamlines food analysis of PAHs, PFAS, and MOSH/MOAH, improving recoveries, reducing solvents, and meeting regulatory demands.</p><h5><strong>4. Thermo Fisher Scientific: End-to-end automation in GC/GC-MS: Trends, tools, and practical implementation</strong></h5><ul><li>We, 13.5.2026 18:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/6186">Registration</a></li></ul><p>In this GC/GC-MS power hour session, we’ll explore how automation is transforming laboratories by helping teams do more with less time, fewer resources, and greater confidence.</p><h5><strong>5. GERSTEL: Automating Food Safety Workflows for the Analysis of Edible Oils and Fats</strong></h5><ul><li>We, 13.5.2026 20:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/6168">Registration</a></li></ul><p>Learn how automated workflows improve data quality in edible oil testing, including FAMEs, MOSH/MOAH, and 3-MCPD analysis with real-world insights.</p>

Webinars LabRulezGCMS Week 20/2026

Article

Webinars

Video

Scientists

Plastics

Environment

Scientific article

Interview

Science and research

Everything from the world of analytical chemistry in one place. We connect people in solving their problems. At Labrulez you will find all the necessary information easily, quickly and clearly. Stop searching and start finding.

LabRulez

Organomation, founded in 1959, designs and manufactures high-quality nitrogen evaporators and extraction systems. Known for innovation and durability, their lab instruments are used globally for efficient sample preparation with strong customer support.

Organomation

Mestrelab Mnova Gears software

This comprehensive software suite, designed for building automation workflows, caters to your analytical data needs, spanning NMR, LC/GC-MS, and more.

<h3><strong>Mnova Gears | Real-Time &amp; Batch processes</strong></h3><h4><strong>Automation Workflows for All Your Analytical Data Processes</strong></h4><p>Are you tired of the monotony of routine data processing? <strong>Mnova Gears</strong> (also known as <strong>Mgears</strong>) is here to free up your time for innovation and more engaging tasks. This comprehensive software suite, designed for building <strong>automation workflows</strong>, caters to your analytical data needs, spanning <strong>NMR</strong>, <strong>LC/GC-MS</strong>, and <strong>more</strong>. Simply set your analysis samples and SOPs, launch the process, and let Mnova Gears handle the rest. From data retrieval to processing and analysis, Mnova Gears effortlessly applies the methods and formulas you provide, presenting the results in comprehensive reports.</p><p>Experience the flexibility, seamless integration with your existing architecture, and the customizable nature of Mnova Gears. Like Mnova, it remains <strong>vendor-neutral</strong>, adapting to your unique requirements. Elevate your analytical data processes—automate with Mnova Gears!</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Gears_Design_your_data_workflows_and_let_Mgears_do_the_rest_5771003702.jpg" alt="Mestrelab Research: Mnova Gears - Design your data workflows and let Mgears do the rest!"></p><blockquote><h4><a target="_blank" rel="noopener noreferrer" href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwsl4"><strong>Visit Mestrelab Research Mnova Gears product page to learn more!</strong></a></h4></blockquote><h4><strong>What’s new in Mnova Gears 2.5?</strong></h4><p><strong>Mnova Gears 2.5 has been released with Mnova 15 introducing a range of new capabilities:</strong></p><ul><li>New file copy option that copies the input files to the output folder without the need to open, process, or analyze them.</li><li>Ability to add chromatogram blind regions.</li><li>Improved data selection and auto-detection.</li><li>Capability to manage input data organized in multiple subfolders and generate sorted reports for each subfolder.</li><li>Heat map data visualization.</li><li>And other improvements that you can check in the complete changelog.</li></ul><p><strong>Upgrade to Mgears 2.5 now to explore these features and to unlock the full potential of data automation.</strong></p><p>Also be sure you check our newest Mgears brick designed for <a target="_blank" rel="noopener noreferrer" href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwskt"><strong>Affinity Selection Mass Spectrometry</strong></a> analyses.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Gears_Increase_your_efficiency_using_automated_analysis_workflows_c9d3fb13e6.jpg" alt="Mestrelab Research: Mnova Gears - Increase your efficiency using automated analysis workflows!"></p><h3><strong>Mnova Gears products and how they relate to one another!</strong></h3><h4><a target="_blank" rel="noopener noreferrer" href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwsl4"><strong>Mnova Gears</strong></a></h4><ul><li>Automation of multiple sample analysis</li><li>Batch and real time mode to generate documents for analysis</li></ul><h4><a target="_blank" rel="noopener noreferrer" href="http://www2.mestrelab.com/l/271522/2020-10-22/25htxg"><strong>Mnova MyGears</strong></a></h4><ul><li>Automation of single sample analysis</li><li>Automation workflows on an open Mnova document</li></ul><h4><a target="_blank" rel="noopener noreferrer" href="http://www2.mestrelab.com/l/271522/2024-04-10/3p2gsd"><strong>Mnova Gears Bricks</strong></a></h4><ul><li>Build automation workflows using the following Gears bricks</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Gears_1_b99a72ab8c.jpg" alt="Mestrelab Research: Mnova Gears products and how they relate to one another."></p><blockquote><h4><strong>Want to run a 45-day FREE trial?</strong></h4><h4><a target="_blank" rel="noopener noreferrer" href="http://www2.mestrelab.com/l/271522/2024-04-10/3p2gsh"><strong>CONTACT AN EXPERT</strong></a></h4></blockquote><h3><strong>Intuitive 5-Step workflow!</strong></h3><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Gears_Intuitive_5_Step_workflow_9191e59a96.jpg" alt="Mestrelab Research: Mnova Gears - Intuitive 5-Step workflow."></p><h4><strong>Mnova Gears Benefits</strong></h4><ul><li><strong>Automate</strong> routine <strong>processes and workflows</strong>, saving valuable specialist time.</li><li>Create and manage <strong>end-to-end workflows</strong> seamlessly within a single tool.</li><li>Streamline <strong>multiple analytical workflows</strong> on a common, user-friendly platform.</li><li><strong>Customize workflows</strong> by selecting components tailored to specific needs.</li><li>Enjoy <strong>flexibility and configurability</strong>, allowing seamless integration with existing infrastructure.</li><li>Collaborate with <strong>different systems in an unified environment</strong> due to vendor independence.</li><li>Leverage the familiarity with the <strong>Mnova interface</strong> to deploy and adopt <strong>automation</strong> solutions by your team <strong>without an extensive learning curve</strong>.</li><li>Benefit from <strong>expedited product support and development</strong>, consolidating all your automation analyses in one software suite.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Gears_Mnova_Gears_Benefits_3186347cb7.jpg" alt="Mestrelab Research: Mnova Gears - Mnova Gears Benefits"></p><h4><strong>Mnova Gears Features</strong></h4><h5><strong>Powerful Automation Capabilities for Comprehensive Data Tasks</strong></h5><ul><li>A user-friendly platform equipped with all essential controls for customizing data processes, covering input data, processing and analysis methods, design, and output generation.</li><li>A wide array of default features and options is available to maximize adaptation to customer needs.</li><li>Acceptance of templates and scripts for further customization; you can even construct your own automation bricks using scripting.</li><li>Details of your customization are stored in a settings file, easily shareable and importable.</li></ul><h5><strong>Automatic Reporting and Archiving</strong></h5><ul><li>Diverse output formats, including CSV, PDF, HTML, JSON, and Mnova formats.</li><li>Seamless adaptation to data organization standards by specifying requirements for correct data archiving (in a folder, database, ELN, etc.).</li><li>Easy workflows to automatically update historic data to new standards, ensuring consistency across years and sites.</li><li>Continuous support and updates: Contact the support team for specific import/export format requests.</li></ul><h5><strong>A User-Friendly Result Viewer with Graphical Dashboards for Rapid and Easy Data Review</strong></h5><ul><li>Effortless exploration of results with the Mgears Results Viewer, featuring graphical dashboards.</li><li>At-a-glance and by-exception reviews for quick and effective data analysis.</li><li>Smooth navigation through sample lists or well plates, facilitating the review of data and analyzed spectra.</li><li>Identification of samples not meeting specifications using graphics and warning flags, saving time on extensive scrutiny.</li><li>Swift recalculations and result updates.</li></ul><h4><strong>Multi-Technique and Multi-Application Analytical Workflows</strong></h4><ul><li>Multiple techniques supported: NMR, LC-MS, GC-MS, Chromatography, etc.</li><li>Mnova Gears has already proven its prowess with a broad range of applications spanning from discovery, R&amp;D, to manufacturing and quality control.</li><li>Available applications include structure verification, purity determination, mixture analysis, chemical reaction optimization, and affinity selection mass spectrometry analysis. Explore the <a target="_blank" rel="noopener noreferrer" href="http://www2.mestrelab.com/l/271522/2024-04-10/3p2gsd"><strong>full list of applications</strong></a> for comprehensive coverage.</li></ul><h3><strong>Markets</strong></h3><h5><strong>Academic, Government &amp; Industrial</strong></h5><h4><strong>PRACTICAL APPLICATIONS</strong></h4><ul><li>Quality Control (NMR, Mass Spectrometry, etc)</li><li>Natural Product Dereplication by NMR</li><li>Reaction Monitoring by NMR</li><li>Quantitative NMR</li><li>Targeted mixtures analysis by NMR</li><li>Multi-technique reporting</li><li>Protein-ligand Interaction</li><li>Product ID confirmation</li><li>Structure verification</li><li>DNA Profiling by LCMS</li><li>Ligand-based drug screenings</li><li>Reaction Optimization (HTE)</li><li>Determination of solubility, lipophilicity</li><li>System Suitability testing (NMR, LCMS)</li><li>Compound separation and purification workflows</li></ul>

Mestrelab Mnova Verify software

Designed for synthetic and medicinal chemists, which automatically checks a proposed structure against a set of analytical data, LC-MS or GC-MS and/or 1D NMR and/or 2D NMR.

<h4><strong>Automatic confirmation of structure identity based on NMR and/or LC/GC-MS data</strong></h4><p>Designed for synthetic and medicinal chemists, which automatically checks a proposed structure against a set of analytical data, LC-MS or GC-MS and/or 1D NMR and/or 2D NMR.</p><h4><strong data-start="641" data-end="654">Benefits:</strong></h4><ul><li><strong>Solution coupling NMR </strong>(1H, 13C and HSQC) and <strong>MS techniques</strong> in a commercial off-the-shelf software.</li><li><strong>Helps non-expert users </strong>to take decisions while reducing the workload of the experts.</li><li><strong>Fully automatic analysis</strong> for singletons or batch data.</li><li><strong>Mnova Verify checks</strong> whether the proposed compound is correct!</li><li><strong>Flexibly accepts a variety of inputs</strong> and generate automatically fully customized reports.</li><li><strong>Straightforward results</strong> check that warns about inconsistencies.</li></ul><h4><strong>Features:</strong></h4><h5><strong>Powerful algorithm running behind the scenes</strong></h5><p><strong>This powerful algorithm integrates multiple modules to deliver:</strong></p><ul><li>Automated processing and analysis of 1D &amp; 2D NMR (¹H NMR, HSQC) and LC/GC-MS data.</li><li>Generation of theoretical data for proposed structures.</li><li>Prediction of NMR spectra (¹H, ¹³C, HSQC) and MS data (mass ion, isotopic cluster, fragmentation, MS/MS).</li><li>Comparison of experimental and theoretical data.</li><li>Results presentation using an innovative scoring system.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Verify_Powerful_algorithm_running_behind_the_scenes_be1dfb5e2f.webp" alt="Mestrelab Research: Mnova Verify - Powerful algorithm running behind the scenes" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_Verify_Powerful_algorithm_running_behind_the_scenes_be1dfb5e2f.webp 245w," sizes="100vw" width="936" height="427"></p><h5><strong>An easy and flexible scoring system</strong></h5><p>Evaluates analytical data to judge the compatibility of proposed structures:</p><ul><li>Provides a quality score (-1.0 to +1.0) for each structure, combining score and significance.</li><li>Displays detailed results for each test applied.</li><li>Ranks structures to quickly identify the best fit with experimental data.</li><li>Allows easy re-working of unclear results in Mnova.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Verify_An_easy_and_flexible_scoring_system_da1c07eb98.webp" alt="Mestrelab Research: Mnova Verify - An easy and flexible scoring system" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_Verify_An_easy_and_flexible_scoring_system_da1c07eb98.webp 245w," sizes="100vw" width="936" height="427"></p><h5><strong>Automated batch &amp; real-time operations</strong></h5><p>Provides QA for large data volumes like libraries or registration QC samples:</p><ul><li><strong>Batch Mode: </strong>Verifies libraries and identifies unsuitable samples for assay submission, generating an HTML report.</li><li><strong>Real-Time Analysis Mode: </strong>Performs unassisted verification of individual samples, providing immediate feedback on structure-data compatibility.</li><li>Requires Mnova v10 or higher (NMR, NMRPredict, and/or MS modules). Additional modules like Mnova DB or qNMR can also be used.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Verify_Automated_batch_and_real_time_operations_6fa9241b15.webp" alt="Mestrelab Research: Mnova Verify - Automated batch &amp; real-time operations" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_Verify_Automated_batch_and_real_time_operations_6fa9241b15.webp 245w," sizes="100vw" width="936" height="427"></p>

Mestrelab Mnova DB software

A professional database integrated within Mnova for efficiently shared storage of molecular structures, NMR, LC-MS, GC-MS, and other Mnova objects.

<h4><strong>Store, share and search your chemical and analytical data efficiently</strong></h4><p>A professional database integrated within Mnova for efficiently shared storage of molecular structures, NMR, LC-MS, GC-MS, and other Mnova objects.</p><p>Create new databases, save records with a couple of clicks, and run searches by structure, substructure, specific peak positions, multiplets, or mass peaks.</p><h4><strong data-start="641" data-end="654">Benefits:</strong></h4><ul><li><strong>Database enviroment for storing analytical data</strong> (NMR, LC/GC-MS, UV-Vis, IR, etc.) and chemical structures.</li><li><strong>Ranked queries by chemical struture and/or analytical data,</strong> enabling faster and more efficient data retrieval.</li><li><strong>Tools for managing and controlling your databases</strong>, with password protection for security.</li><li><strong>Quickly create new databases</strong> and save your analytical records in seconds, enhancing efficiency and productivity.</li><li><strong>Access and view reports in a variety of formats</strong>, including tables, records, well plates, and HTML views, for versatile data presentation.</li><li><strong>Manage user accounts with different privilege levels-administrator</strong>, power user, and standard user.</li></ul><h4><strong>Features:</strong></h4><h5><strong>Create a database and save your legacy data</strong></h5><ul><li>Companies and research institutes often have large volumes of analytical data spread across various sources, needing better management to make it shareable and searchable.</li><li>Once stored in the DB, chemists can easily access this data using Sample ID, Compound ID, peak, or Retention Time searches, especially for unknowns.</li><li>Mnova provides scripts to upload multiple NMR and/or LC/GC/MS datasets into a database.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_DB_Create_a_database_and_save_your_legacy_data_7e9ee2e6f7.webp" alt="Mestrelab Research: Mnova DB - Create a database and save your legacy data" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_DB_Create_a_database_and_save_your_legacy_data_7e9ee2e6f7.webp 245w," sizes="100vw" width="1380" height="801"></p><h5><strong>Save your data during the workflow</strong></h5><ul><li>Chemists can save their work to the Database, making it easily accessible to others later.</li><li>Mnova DB integrates with Mnova Suite, allowing you to save or search data seamlessly during your workflow.</li><li>When working with NMR or LC/GC/MS datasets in Mnova, you can save raw data, parameters, analysis results, annotations, and molecular structures to the database with a couple of clicks.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_DB_Save_your_data_during_the_workflow_169e99f805.webp" alt="Mestrelab Research: Mnova DB - Save your data during the workflow." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_DB_Save_your_data_during_the_workflow_169e99f805.webp 245w," sizes="100vw" width="1472" height="854"></p><h5><strong>Efficient sharing and searching of your analytical data</strong></h5><p>The basic search query can be the following:</p><ul><li>Structure or substructure</li><li>1D or 2D peak locations</li><li>1D multiplets</li><li>m/z values</li><li>Texts or numerics</li><li>Mnova DB allows you to combine any of the queries listed above, using logic and or operators, this is useful when you need to refine your search results iteratively. Mnova DB also save the results into a temporary database and continue to search to refine it.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_DB_Efficient_sharing_and_searching_of_your_analytical_data_8bde34ce47.webp" alt="Mestrelab Research: Mnova DB - Efficient sharing and searching of your analytical data" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_DB_Efficient_sharing_and_searching_of_your_analytical_data_8bde34ce47.webp 245w," sizes="100vw" width="1472" height="854"></p><h5><strong>Seamlessly deliver data to your organization</strong></h5><ul><li>We can automate the DB setup so data is automatically imported when acquired by your instruments.</li><li>Chemists will no longer need to browse through file folders to review or analyze data. They can retrieve it directly in Mnova using Sample ID, Sample Number, Compound ID, or structure searches.</li><li>This will save your team time and significantly improve productivity.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_DB_Seamlessly_deliver_data_to_your_organization_b4c354eeb3.webp" alt="Mestrelab Research: Mnova DB - Seamlessly deliver data to your organization" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_DB_Seamlessly_deliver_data_to_your_organization_b4c354eeb3.webp 245w," sizes="100vw" width="1472" height="854"></p>

Products from category NMR software - page 1

Related content

Webinars LabRulezGCMS Week 20/2026

Gas Chromatography-Atmospheric Pressure Chemical Ionization (GC-APCI) Expands the Analytical Window for Detection of Large PAHs (≥24 Ringed-Carbons) in Pyroplastics and Other Environmental Matrices

Tracking Toxic PCBs in River Water using Gas Chromatography–Electron Capture Detection