🎤 Presenter: Christina Kelly, Joseph Binkley, John Hayes (LECO Corporation, Saint Joseph, USA)
💾 <a href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/O_12_Characterization_and_Quantitative_Hydrocarbon_Group_Type_Analysis_of_Plastic_Derived_Pyrolysis_Oils_by_G_Cx_GC_TOFMS_FID_0a253a5d5e/O-12-Characterization-and-Quantitative-Hydrocarbon-Group-Type-Analysis-of-Plastic-Derived-Pyrolysis-Oils-by-GCxGC-TOFMS-FID.pdf">PDF presentation</a>
<blockquote>
💡 Book in your calendar: <a href="https://gcms.labrulez.com/events/518">16th Multidimensional Chromatography Workshop (MDCW) 3 - 5. February 2025</a>
</blockquote>
<h3>Abstract</h3>
An increase in the desire for waste plastics converted to pyrolysis oils to be used as fuel has led to the development of processes that create new potential feedstocks which, even with similar physical characteristics to traditional geochemical sources, carry higher risks of poisoning catalysts or otherwise reducing efficiency due to very different chemical characteristics.
This presentation focuses on characterization of plastic-derived pyrolysis oils and the comparison of polar-nonpolar and nonpolar-polar column sets that target increased chromatographic resolution in different regions of the structured chromatograms, revealing clusters of compound classes not typically seen in traditional petroleum fuels, such as multi-branched paraffins and specific heteroatom-containing species of interest.
The data provided by the LECO Paradigm Shift highlights the flexibility of this flow-modulator-and-splitter system for comprehensive two-dimensional chromatography (GC×GC) method optimization while utilizing the combined power of time-of-flight mass spectrometry (TOFMS) and simultaneous flame ionization detection (FID). With a splitter design ensuring that a constant ratio of analytes is sent to each detector throughout the GC temperature program to maintain uniform area % quantitation from the FID, the Paradigm Shift system preserves the integrity of the GC×GC separation of plastic-derived pyrolysis oils for analytical methods that concurrently provide rich qualitative and accurate quantitative information.

GC×GC-TOFMS/FID hydrocarbon group-type analysis of plastic-derived oils (Christina Kelly, MDCW 2024)

🎤 Presenter: Marion Risse (ETH Zurich, Zürich, Switzerland)💾 <a target="_blank" rel="noopener noreferrer" href="https://gcms.cz/paper/28873">PDF presentation</a><blockquote>💡 Book in your calendar: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/events/787">17th Multidimensional Chromatography Workshop (MDCW)</a> 13 - 15. January 2026</blockquote><h3>Abstract</h3>Historically, women have been underrepresented in biological and medical research, leading to significant gaps in knowledge with adverse implications for women’s health. This exclusion often aims to avoid potential temporal variation linked to the female reproductive cycle. In studies on human odors and disease vector attraction, such gaps can critically impact human health. Yet, sex-specific differences in odor cues influencing mosquito attraction remain largely unexplored. To address this gap, we conducted a longitudinal study investigating variations in female body odors throughout the menstrual cycle.We collected skin volatile samples from female subjects during the menstrual, fertile, and luteal phases of their cycle, as well as from male controls. These samples were processed via two-dimensional gas chromatography-mass spectrometry (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?instrumentationItems=5-13-3&amp;manufacturerItems=25">GC×GC-MS</a>) and further analyzed using GCImage software. Our findings provide crucial insights into sex differences in body odor and the potential effects of the menstrual cycle. Identifying volatile markers specific to sex and menstrual phases could significantly enhance our understanding of vector attraction.This knowledge may inform targeted strategies for improved health interventions and disease prevention and control, ultimately contributing to better public health outcomes.<h3>Video transcription</h3>Women are historically underrepresented in biological and medical research. Many studies excluded women to avoid temporal variation caused by the menstrual cycle. This exclusion leads to partial representation of populations and reduces the utility of results. Human odor studies and disease vector attraction are no exception.The research questions were: Is there a sex-specific signature in skin volatiles? Do body odors vary consistently throughout the menstrual cycle? How do these variations impact mosquito attraction?<h4>Study Design</h4>Two longitudinal studies with repeated volatile collections were conducted. Female participants were sampled at three phases: menstrual phase, fertile phase, and luteal phase. Male controls were sampled at corresponding intervals. Samples were analyzed with GC×GC-MS and processed using GCImage software. Both arm and foot volatiles were studied, with results here focusing on arms.<h4>Results: Sex Differences</h4>PLS-DA analysis showed strong overlap between males and females, but machine learning (random forest) could predict sex with approximately 75% accuracy. Some compounds were identified as sex markers, though identification is still under verification.<h4>Results: Menstrual Cycle Effects</h4>PLS-DA revealed overlap between menstrual and other phases, but clearer separation between fertile and luteal phases. Random forest analysis indicated limited accuracy for menstrual vs. fertile, but better prediction for menstrual vs. luteal comparisons. Volcano plots highlighted significant compounds distinguishing phases: few compounds for menstrual vs. fertile, more for menstrual vs. luteal and fertile vs. luteal comparisons. Some overlapping compounds were identified between LIMMA and random forest analyses.<h4>Results: Mosquito Attraction</h4>Mosquito attraction tests showed no differences between menstrual cycle phases and no differences between males and females. However, there was strong individual variation. Some participants were consistently highly attractive to mosquitoes, while others were consistently unattractive. These preferences remained stable over time and were independent of the menstrual phase.<h4>Conclusion</h4>GC×GC-MS analysis revealed detectable sex differences in skin volatiles and some menstrual cycle-related differences, though with significant overlap. Mosquito assays did not show any preference based on sex or menstrual phase but demonstrated stable individual attractiveness patterns. Additional data are still being processed and verified.<blockquote>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.</blockquote>

The impact of the menstrual cycle on skin volatile profiles (Marion Risse, MDCW 2025)

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 24th November 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you brochure by Agilent Technologies, poster by LECO /MDCW, and application notes by Shimadzu and Thermo Fisher Scientific!<h3>1. Agilent Technologies: GC workflows for hydrogen vehicles and natural gas blending - Hydrogen Fuel Testing Solutions</h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ac_hydrogen_fuel_purity_matters_compendium_5994_8643en_agilent_8da57fb7a2.pdf">Full PDF for download</a></li></ul>Agilent’s Hydrogen Fuel Testing Solutions compendium highlights the growing importance of reliable impurity analysis as hydrogen becomes a key clean-energy fuel. Because contaminants such as moisture, sulfur compounds, ammonia, oxygen, or organics can compromise fuel-cell performance and safety, the brochure emphasizes that hydrogen purity must be monitored throughout the entire supply chain—from production to storage, transport, and final distribution. Hydrogen blended into natural gas introduces additional challenges, since existing pipeline infrastructure was not originally designed for hydrogen, making rigorous analytical control essential for preventing corrosion, equipment malfunction, and safety issues.To address these challenges, Agilent presents a comprehensive suite of GC-based hydrogen testing workflows. The compendium showcases key analytical instruments—such as the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890">Agilent 8890 GC</a>, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8355+SCD">8355 SCD</a>, 8255 NCD, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=5977C">5977C GC/MSD</a>, and portable <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=990+Micro+GC">990 Micro GC</a>—each tailored for detecting critical impurities at trace levels in accordance with ISO 14687-2019, SAE J2719, and other global standards. Featured application notes demonstrate capabilities including ultratrace ammonia monitoring, analysis of sulfides and halides, sulfur speciation, and fast impurity screening for hydrogen and natural gas streams.Beyond instrumentation, the brochure outlines Agilent’s service ecosystem supporting method deployment, instrument verification, sustainability strategies, and lab operations management through CrossLab services and OpenLab software. These include preventive maintenance programs, financial solutions, certified pre-owned instruments, and consulting for analytical method development.Finally, the brochure connects hydrogen-fuel purity testing with broader sustainability goals. Agilent encourages laboratories to adopt circular-economy practices—reducing waste, extending instrument lifecycles, and improving energy efficiency—emphasizing that clean hydrogen starts with responsible, efficient, and reliable laboratory workflows.<h3>2. LECO / MDCW: BOOSTING NON-TARGETED ANALYSIS WITH COMPREHENSIVE TWO-DIMENSIONAL GAS CHROMATOGRAPHY AND HIGH-RESOLUTION MASS SPECTROMETRY</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/FL_18_Sebastiano_b4cf417f82.pdf">Full PDF for download</a></li></ul>The presentation by Sebastiano Panto (LECO EATC Berlin) focuses on demonstrating how comprehensive two-dimensional gas chromatography coupled with high-resolution time-of-flight mass spectrometry (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?instrumentationItems=2-13-3&amp;mainauthorItems=24">GC×GC-HR-TOFMS</a>) significantly enhances non-targeted and targeted screening workflows, particularly in environmental analysis. Using liver extracts from Glaucous gulls (Larus hyperboreus) from the Svalbard region as a case study, the work aims to reveal contamination patterns and improve compound identification confidence.Sample preparation included homogenization, lipid removal, and multi-step cleanup involving GPC/SEC chromatography and Florisil fractionation, yielding separate non-polar and polar fractions for analysis (page 4). Analytical separations were performed on an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890+GC">Agilent 8890 GC</a> equipped with a dual-column GC×GC setup (Rxi-5SilMS and Rxi-17SilMS), cryogenic modulation, and Helium carrier gas. Detection used the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=24&amp;search=Pegasus+HRT%2B4D+HR-TOFMS">LECO Pegasus® HRT+4D HR-TOFMS</a> with multiple ionization modes—EI, PCI, and ECNI—enabling simultaneous acquisition of structural, isotopic, and exact-mass information (page 5).The results highlight the advantages of GC×GC-HR-TOFMS in non-target screening: improved separation patterns, higher library match scores, exact-mass confirmation, and enhanced structural elucidation. Electron ionization (EI) provided clean spectra with high match scores for classic pollutants (e.g., PCBs, DDE), while electron capture negative ionization (ECNI) greatly improved selectivity and sensitivity for halogenated contaminants such as toxaphenes and brominated flame retardants, enabling confident identification even when EI spectra were ambiguous (pages 6–13). The instrument’s high mass accuracy and isotopic fidelity are shown to be essential for distinguishing closely related halogenated compounds.The study concludes that combining GC×GC separation power with HR-TOFMS accurate-mass detection and complementary ionization modes offers a robust discovery platform for environmental exposomics. This analytical workflow supports more confident annotation of persistent organic pollutants (POPs) and emerging contaminants in complex biological matrices, ultimately helping assess ecological risks in sensitive Arctic ecosystems where these avian species reside (page 15).<h3>3. Shimadzu: High-Sensitivity Gas Analysis Using the GCMS-QP2050 and GI-30 Auto Gas Injector</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00953_en_7e1a865aae.pdf">Full PDF for download</a></li></ul>Gas analysis is conducted across a wide range of fields, including resources, energy, and the environment. Typical targets include inorganic gases such as H2, CO, and CO2, and light hydrocarbon gases starting with CH4, with analyses primarily performed using GC. In Application News No. 01- 00858, examples of gas sample analysis using TCD and BID installed on the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Brevis+GC-2050">Brevis GC-2050</a> were presented.&nbsp;However, qualitative analysis by GC requires standard substances, making the identification of unknown impurities in gas samples difficult. Furthermore, in inorganic gas analysis, complete chromatographic separation of peaks can be challenging, and when GC fails to fully separate them, both qualitative and quantitative analysis become difficult.&nbsp;In contrast, gas analysis using GC-MS enables qualitative identification of unknown components without standard substances through mass spectral library searches. Quantitation in GC-MS is performed using mass chromatograms, allowing accurate measurements even when peaks overlap.&nbsp;In this Application News, high-sensitivity analysis of inorganic gases and light hydrocarbon gases was performed using the compact yet high-performance <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2050">GCMS-QP2050</a>. Gas samples were introduced using the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GI-30">GI-30 Auto Gas Injector</a>, enabling automated, continuous analysis and delivering higher reproducibility than manual sample injection.<h4>Instrument Configuration and Analytical Conditions&nbsp;</h4>A 10 ppm standard mixed gas sample in a cylinder was analyzed using the GCMS-QP2050. Gas sample injection into the GC-MS was performed with the GI-30 Auto Gas Injector (P/N: S221- 89755-41). The instrument configuration is shown in Fig. 1. The analytical conditions used are summarized in Table 1. Under typical ionization settings (ionization voltage 70 V and emission current 60 µA), ionization of the helium carrier gas generates a significant signal at m/z 2, making detection of H2 (monitor ion: m/z 2) difficult. Therefore, for analysis in SIM mode, the ionization voltage was set to 20 V and the emission current to 20 µA to suppress He ionization.<h4>Automated Continuous Analysis Using the GI-30&nbsp;</h4>The GI-30 Auto Gas Injector is a sample pretreatment device that automatically introduces a fixed volume of gas into the GC. It is used by connecting either a gas cylinder or a sample bag. When the GI-30 is connected to a gas cylinder, automated, continuous analysis of gassamples becomes possible.&nbsp;The GI-30 is equipped with an optional valve purge mechanism. Purging the internal valve with gas reduces the ingress of ambient air. This is effective for analyzing components in ambient air, such as N2 and O2, as well as for measuring tracelevel components.&nbsp;Table 2 shows the peak-area repeatability (%RSD) obtained when a 10 ppm standard mixed gas was analyzed automatically and continuously in SIM mode. As an example, an overlay of the CH4 SIM chromatograms is shown in Fig. 3. Because the GI-30 meters a fixed volume of gas into the GC via a sample loop, excellent reproducibility was achieved for all compounds.<h4>Conclusion&nbsp;</h4>Using the GCMS-QP2050, high-sensitivity analysis of inorganic gases, such as H2, and light hydrocarbons was achieved. Gas sample injection was performed with the GI-30 Auto Gas Injector, enabling automated, continuous analysis and delivering higher reproducibility compared with manual sample injection. The compact, high-performance GCMS-QP2050, together with the GI-30, enables automation and high-precision gas analysis, and supports greater efficiency in GC-MS-based gas analysis.<h3>4. Thermo Fisher Scientific: Trace analysis of epichlorohydrin in drinking water using GC-MS coupled with purge and trap</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_003894_gc_single_quad_isq_7610_environmental_an003894_na_en_70123385ae.pdf">Full PDF for download</a></li></ul>Epichlorohydrin (ECH) is a versatile starting material in the production of drugs and polymers and is also used as an insect fumigant and solvent for organic synthesis reactions. ECH-based polymer pipes are commonly used in the production of drinking water due to their durability and resistance to corrosion. However, ECH is known for its high reactivity and toxicity, which poses significant health risks if it contaminates drinking water. Exposure to ECH can cause respiratory issues, skin irritation, and has been classified as a probable human carcinogen.Due to these risks, many countries have imposed strict limits on the amount of ECH allowed in drinking water. Recently, Europe set a minimum detection limit (MDL) of 30 parts per trillion (ppt) for ECH in drinking water.2 Whereas typically required detection limits for most compounds mandated for analysis in Europe can be achieved using methods based on static headspace, the stringent MDL required for ECH requires preconcentration, for example using purge and trap (P&amp;T) technology.3,4 This technology involves purging the water sample with an inert gas to release volatile organic compounds (VOCs), which are then trapped and concentrated for analysis, ensuring reliable detection at very low concentrations. In the United States, the analysis of VOCs in drinking water is mandated by the Environmental Protection Agency (EPA). The EPA requires the use of P&amp;T technology for drinking water analysis to ensure that even trace amounts of harmful compounds like ECH are detected and managed appropriately.&nbsp;The following evaluation describes the use of the ISQ 7610 Single Quadrupole MS system coupled with the Thermo Scientific™ TRACE™ 1610 GC with the Thermo Scientific™ HeSaver-H2 Safer™ split/splitless injector and Teledyne LABS Tekmar Lumin P&amp;T concentrator combined with the AQUATek LVA autosampler for the analysis of ECH in drinking water.<h4>Experimental</h4><h5>GC-MS parameters&nbsp;</h5>A <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/486">TRACE 1610 GC</a> was coupled to the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/484">ISQ 7610 MS</a> equipped with the Thermo Scientific™ NeverVent ™ vacuum probe interlock (VPI) and an ExtractaBrite ion source. A <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1773">Thermo Scientific™ TraceGOLD™ TG-VMS column</a>, 30 m × 0.25 mm, 1.4 µm film (P/N 26080-3320) was used for compound separation. The HeSaver-H2 Safer SSL injector was utilized to reduce the carrier gas consumption by decoupling the gas used for the chromatographic separation from the gas used to pressurize the inlet and maintain split and purge flows. The critical separations were maintained with a run time of under 15 minutes.For this analysis, the ISQ 7610 MS was operated in Selected Ion Monitoring (SIM) mode for increased selectivity, as required for this application. Extended method parameters for the ISQ 7610 MS are shown in Table 2.<h5>Instrument control and data processing&nbsp;</h5>Data was acquired, processed, and reported using the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/76">Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS)</a>. This software can control both the GC-MS system and the Tekmar Lumin P&amp;T with the AQUATek LVA. This allows a single software to be utilized for the full workflow, simplifying the instrument operation. This application note is available for download via the Thermo Scientific™ AppsLab Library, which contains all the parameters needed to acquire, process, and report the analytical data for analysis of ECH.5<h4>Conclusion&nbsp;</h4>This study demonstrates the capability of the Tekmar Lumin P&amp;T with the AQUATek LVA system connected to the ISQ 7610 Single Quadrupole GC-MS to detect and quantify low-level ECH in drinking water samples, in compliance with EPA requirements.&nbsp;<ul><li>Utilizing the Tekmar Lumin P&amp;T’s ability to purge with nitrogen, along with using the HeSaver-H₂Safer SSL injector, nearly four times less helium was consumed during the analysis without sacrificing system performance.&nbsp;</li><li>The linearity of the calibration curve from 30 ppt to 5,000 ppt passed method requirements.</li><li>The application proved robust during an extended study with 20 samples of a 1,000 ppt ECH standard injected over a series of 124 injections, obtaining 4.4% precision and 118% accuracy of the recovery.</li></ul>

News from LabRulezGCMS Library - Week 48, 2025

Article

Product

Events

Webinars

Application

Academy

Video

Poster

Scientists

Plastics

Environment

Food

Water

Health

Presentation

Scientific article

Interview

Toxicology

Popularization

Science and research

Software

Covid-19

Career

Laboratories

Various

Zaměření

Type of News

Focus

The Multidimensional Chromatography (MDC) Workshop draws experts in this exciting field to share and discuss their research.

The Multidimensional Chromatography Workshop

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

Pittcon 2026

36th MassSpec Forum Vienna 2026

US HUPO 2026

The science of next-gen ingredients: fermentation, formulation and function

The Data Driven Plant; How AI Transforms Chemical Manufacturing

Process Raman: A Reliable and Versatile Tool For Downstream Process Monitoring and Control For mAB Production