Fuel analysis laboratories are facing a growing challenge: delivering highly accurate hydrocarbon characterization while maintaining operational efficiency and controlling costs. For many years, multidimensional gas chromatography (MDGC) systems such as the Reformulyzer have been the established solution for compliance with EN ISO 22854. However, these systems were designed in an era when chromatographic separation was the only viable path to resolving complex fuel matrices.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Simplifying_Fuel_Analysis_Why_Laboratories_Are_Moving_From_Reformulyzer_to_GC_VUV_7db83c2205.jpg" alt="Thermo Fisher Scientific: Simplifying Fuel Analysis: Why Laboratories Are Moving From Reformulyzer to GC-VUV" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Simplifying_Fuel_Analysis_Why_Laboratories_Are_Moving_From_Reformulyzer_to_GC_VUV_7db83c2205.jpg 245w," sizes="100vw" width="1024" height="512">Today, that paradigm is shifting. With the introduction from VUV Analytics, Inc. of Gas Chromatography–Vacuum Ultraviolet detection (GC-VUV) and its recognition within the EN 228:2025 framework, laboratories now have the opportunity to modernize fuel analysis workflows using a simpler, more robust approach.<h3>Limitations of traditional MDGC workflows</h3>The Reformulyzer is a highly engineered system designed to achieve detailed hydrocarbon class separation through multidimensional chromatography. This involves multiple columns, rotary valves, adsorption traps, and complex switching sequences.While this architecture delivers the required analytical output, it also introduces several practical limitations. The presence of numerous moving parts increases the risk of mechanical failure and requires regular maintenance. System tuning and troubleshooting often demand specialized expertise, leading to extended downtime and higher operational costs.From an analytical perspective, MDGC systems rely heavily on chromatographic resolution. In real-world fuel samples, particularly heavy naphtha or complex gasoline blends, co-elution is unavoidable. This can result in misclassification of compounds, especially at higher carbon numbers, impacting the accuracy of PIONA groupings and detailed hydrocarbon analysis. For many laboratories, these challenges raise an important question: is there a more efficient way to achieve the same or better analytical outcomes?<h3>GC-VUV: a transformational approach to fuel analysis</h3>GC-VUV introduces a fundamentally different analytical strategy. Rather than relying solely on chromatographic separation, it combines gas chromatography with vacuum ultraviolet spectroscopy (125–240 nm), where virtually all organic compounds absorb and produce unique spectral fingerprints.This means that even when compounds co-elute chromatographically, they can still be identified and quantified based on their spectral signatures. The detector captures data in three dimensions, retention time, wavelength, and intensity, enabling powerful deconvolution and compound classification.The impact on system design is significant. Compared to the Reformulyzer:<ul><li>A single capillary column replaces multiple column configurations</li><li>No valves or adsorption traps are required</li><li>The system architecture is inherently simpler and more robust</li><li>Individual or group compound identification</li></ul>For laboratory managers and analysts, the advantages of GC-VUV go beyond theory, translating directly into improved daily operations:<ul><li>Reduced maintenance and downtime With fewer moving parts, the GC-VGA system minimizes mechanical failures and reduces the need for frequent intervention, improving system uptime.</li><li>Improved accuracy in complex matrices Spectral deconvolution allows accurate identification of co-eluting compounds, addressing known limitations of traditional chromatographic methods.</li><li>Higher productivity Shorter run times and fully automated data processing significantly increase throughput, enabling laboratories to handle more samples with fewer resources.</li><li>Simplified workflows Eliminating complex calibration schemes and reducing user-dependent steps leads to more consistent and reproducible results.</li><li>Expanded application range Unlike the Reformulyzer, which is primarily optimized for gasoline and naphtha, GC-VUV can be applied across a broader range of hydrocarbon streams, including jet fuel, diesel, and petrochemical feedstocks.</li></ul><h3>Alignment with evolving standards</h3>The publication in 2024 of the EN 18015 as standard procedure for the determination of saturates, olefins, aromatics and oxygenates in unleaded petrol using GC-VUV, established the inclusion of this technology as an alternative method within the Fuel Specification EN 228:2025, representing a significant milestone for the industry.This recognition provides laboratories with the regulatory confidence to adopt a more efficient analytical approach while maintaining alignment with fuel quality standards. It also reflects a broader shift toward leveraging advanced detection technologies to simplify analytical workflows without compromising data integrity.The transition from Reformulyzer to GC-VGA is not simply an upgrade. It is a step towards a more modern, resilient laboratory. By reducing system complexity, improving analytical performance, and expanding application flexibility, GC-VUV enables laboratories to meet today’s demands while preparing for future challenges.For end users, the value is clear: fewer operational constraints, greater analytical confidence, and a more streamlined path to compliance.<h3>Learn more</h3>Discover the Thermo Scientific GC-VUV solutions. Visit <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2178">VUV Detector for TRACE 1600 Series GC</a> or contact your Thermo Fisher Scientific representative.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_VUV_Detector_for_TRACE_1600_Series_GC_2_f6a599c167.jpg" alt="Thermo Fisher Scientific: Simplifying Fuel Analysis: Why Laboratories Are Moving From Reformulyzer to GC-VUV" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_VUV_Detector_for_TRACE_1600_Series_GC_2_f6a599c167.jpg 245w," sizes="100vw" width="777" height="258"><blockquote>Visit us on&nbsp;<a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/72003132/admin/dashboard/">LinkedIn:</a>&nbsp;#GasChromatography #industrial</blockquote>

Simplifying Fuel Analysis: Why Laboratories Are Moving From Reformulyzer to GC-VUV

🎤 Presenter: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/articles?search=petr+vozka">Petr Vozka</a> (California State University LA)💾 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/paper/32783">PDF presentation</a><h3>Abstract</h3>Microplastics (MPs) are pervasive pollutants throughout our local marine environments. They serve as vectors for organic compounds, yet the variability of their adsorbed contaminants along highly urbanized coastlines remains poorly resolved.This study examines the variation in MP contamination and its associated organic compounds across three beach sites in the greater Los Angeles region. Surface sediments will be collected from each site. MPs will be isolated through a density separation to remove inorganic components, followed by oxidative digestion of the remaining organic matter. The recovered MPs will be characterized using an inlet capable of high-temperature thermal desorption/pyrolysis coupled with two-dimensional gas chromatography-time-of-flight mass spectrometry (GCxGC-TOFMS) to identify polymer-specific marker compounds and thereby determine MP composition and relative abundance at each location. In addition, a preliminary thermal desorption (TD) step will be applied before pyrolysis to assess organic compounds adsorbed to MP surfaces. Chromatographic profiles from the single-step <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?instrumentationItems=13-3-2-11-8">TD/PY-GC×GC-TOF-MS</a> analyses will be statistically compared among sites using <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1873">Chromatof Sync 2D software</a> to evaluate differences in both polymer types and co-occurring contaminants. The results will provide insight into how local sources, hydrodynamics, and land use patterns influence the distribution of MP polymers and their adsorbed contaminant loads along urbanized Southern California coastlines.<h3>Video Transcription</h3>In this presentation, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/articles?search=petr+vozka">Petr Vozka</a> (California State University, Los Angeles) addresses a critical analytical challenge associated with chemical recycling of plastics—namely, the detailed characterization of unsaturated hydrocarbons (olefins) formed during depolymerization processes.Plastic waste recycling remains a major global issue, with most materials still ending up in landfills. Emerging thermochemical and catalytic recycling approaches convert plastic waste into fuel-like products. However, these products are highly complex mixtures containing a broad distribution of hydrocarbons, particularly olefins, whose accurate quantification and classification remain analytically demanding.Unlike conventional petroleum-derived fuels, plastic pyrolysis oils may contain up to ~50 wt.% olefins, making traditional analytical methods insufficient.<h4>Why Olefin Characterization Matters</h4>Olefin content directly impacts:<ul><li>Fuel stability and reactivity</li><li>Downstream upgrading processes</li><li>Material compatibility and storage</li><li>Environmental and regulatory compliance</li></ul>However, most standard methods (e.g., bromine number, FIA) only provide bulk unsaturation metrics and lack structural resolution.Additionally, these methods can produce misleading results, especially in complex matrices:<ul><li>Misclassification of compounds (e.g., dienes or heteroatom species as aromatics)</li><li>Poor performance at high olefin concentrations</li><li>Limited chemical specificity</li></ul><h4>Role of GC×GC-FID in Complex Hydrocarbon Analysis</h4>To address these challenges, the group employs comprehensive two-dimensional gas chromatography (GC×GC) with FID detection, which offers:<ul><li>High peak capacity</li><li>Structured chromatographic separation</li><li>Quantitative robustness for hydrocarbons</li></ul>Using reverse-phase GC×GC, hydrocarbons can be organized into regions:<ul><li>n-alkanes</li><li>isoalkanes</li><li>cycloalkanes</li><li>aromatics</li></ul>However, a key finding of this work is that olefins are not confined to a single chromatographic region, as often assumed in literature. Instead:<ul><li>Mono-unsaturated compounds co-elute with isoalkanes and monocycloalkanes</li><li>Di- and poly-unsaturated species appear in higher-order cyclic regions</li><li>Distribution follows a systematic trend linked to double bond count</li></ul>This significantly complicates direct quantification.<h4>Approach 1: GC×GC Combined with Selective Adsorption</h4>The first strategy combines GC×GC-FID with silver-modified silica adsorption:Principle:<ul><li>Olefins are selectively retained on the cartridge</li><li>Sample is analyzed before and after treatment</li><li>Olefin content is calculated from peak area differences</li></ul>Key features:<ul><li>Sample volume: ~50 µL</li><li>Analysis time: ~15 minutes</li><li>Quantification based on weight % (FID response)</li></ul>Advantages:<ul><li>Simple and cost-effective</li><li>Provides group-type quantification</li><li>Suitable for high-olefin samples</li></ul>Limitations:<ul><li>Reliable only above ~5 wt.% olefins</li><li>Primarily applicable to aliphatic olefins</li><li>Limited performance for heavier or aromatic systems</li><li>Co-elution effects may distort alkane quantification</li></ul>Notably, results showed that alkanes can be overestimated if olefins are not properly removed prior to quantification.<h4>Approach 2: Chemical Derivatization for Olefin Identification</h4>The second strategy focuses on chemical derivatization of double bonds, enabling more detailed structural analysis.<h5>Classical Method: DMDS Derivatization</h5><ul><li>Reagent: dimethyl disulfide (DMDS) + iodine</li><li>Reaction at ~70 °C for 1 hour</li><li>Converts olefins into heavier, more polar derivatives</li><li>Shifts peaks to different regions in GC×GC space</li></ul>Outcome:<ul><li>Enables differentiation between saturated and unsaturated species</li><li>Allows carbon-number-resolved quantification</li><li>Provides detailed group-type analysis</li></ul><h5>Limitations:</h5><ul><li>DMDS not sufficiently heavy → incomplete chromatographic shift in complex samples</li><li>Overlap with aromatic region complicates interpretation</li><li>Formation of DMDS-related artifacts</li><li>Requires elevated temperature</li><li>Regulatory challenges (iodine handling)</li></ul><h4>Next-Generation Derivatization Strategy</h4>To overcome these limitations, the group explored alternative disulfide reagents with improved properties:<ul><li>Higher molecular weight → better chromatographic separation</li><li>Improved polarity → enhanced peak shifting</li><li>Reaction at room temperature</li><li>Reduced reliance on iodine (under development)</li></ul>Verification using ¹H NMR confirmed complete consumption of double bonds, demonstrating full derivatization.This new approach significantly improves applicability for:<ul><li>Jet fuel and diesel-range samples</li><li>Highly complex pyrolysis oils</li><li>Advanced structural characterization</li></ul><h4>Analytical Impact and Future Directions</h4>This work demonstrates that combining GC×GC with targeted sample preparation strategies enables:<ul><li>Detailed olefin quantification beyond bulk parameters</li><li>Improved classification of complex hydrocarbon mixtures</li><li>Better understanding of plastic depolymerization pathways</li></ul>Future developments include:<ul><li>Integration with TOF-MS for structural confirmation</li><li>Potential coupling with VUV detection</li><li>Full method validation across feedstocks</li><li>Expansion toward aromatic olefin analysis</li></ul><h4>Conclusion</h4>Accurate characterization of olefins in plastic recycling streams requires moving beyond conventional bulk methods. The combination of GC×GC separation with selective adsorption and advanced derivatization provides a powerful analytical toolbox for resolving these complex systems.This work highlights the importance of method development tailored to emerging matrices, particularly in the context of circular economy and sustainable materials.<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>

COUNTING DOUBLE BONDS: GC×GC–FID FOR PLASTIC PYROLYSIS OILS (Petr Vozka, MDCW 2026)

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 27th April 2026? 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 application note by Shimadzu, scientific article by BaySpec, poster by MDCW / JEOL and technical note by Thermo Fisher Scientific!<h3>1. BaySpec: PNNL and BaySpec Launch Compact Mass Spectrometry System for Rapid Narcotics Detection</h3><ul><li>Scientific article</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/PNNL_and_Bay_Spec_Launch_Compact_Mass_Spectrometry_System_for_Rapid_Narcotics_Detection_087ddb9b7e.pdf">Full PDF for download</a></li></ul>The U.S. Department of Energy’s Pacific Northwest National Laboratory’s (PNNL) VaporID, which is a newly developed portable air sampling system incorporating a miniaturized mass spectrometer (MS), can detect trace levels of fentanyl, methamphetamine, cocaine, and even explosives like TNT with great accuracy, the laboratory announced in a press release (1). Because of its success, BaySpec, an optical products manufacturer, is commercializing this instrument, which will be produced later in 2025 (1,2).&nbsp;The new system employs a technique known as noncontact detection, which collects airborne molecules and analyzes them in real time using a miniature mass spectrometer (1). The VaporID device was first developed in 2020. The device won GeekWire’s Innovation of the Year award that same year (2). At the 2025 American Society for Mass Spectrometry (ASMS) conference in Baltimore Maryland, Krisztian Torma, a BaySpec scientist and one of the lead developers, presented the latest test results of the device. The VaporID device was field-tested at the U.S.–Mexico border crossing in Nogales, Arizona. Working with the U.S. Customs and Border Protection (CBP) agency, the device was able to successfully identify trace amounts of fentanyl, as well as other narcotics including MDMA (ecstasy), methamphetamine, ketamine, and cocaine (1).Fentanyl, explosives, and other drugs have low vapor pressure, which means that they do not willingly evaporate and release very few molecules into the air. Given the fact that there are often other interfering chemicals in the air, this presents a detection challenge. The VaporID system overcomes this hurdle by filtering out irrelevant vapors and enhancing signal clarity (1).&nbsp;The success of the VaporID system is the result of a two-year collaboration between PNNL and BaySpec. With plans to commercialize the system by the end of the year, BaySpec aims to bring this advanced narcotics and explosives detection tool into routine use at ports of entry, airports, shipping facilities, and public event venues (1).<h3>2. MDCW / JEOL: ANALYSIS OF AROMA COMPOUNDS IN SPICES BY COMPREHENSIVE TWO-DIMENSIONAL GAS CHROMATOGRAPHY/TIME-OF-FLIGHT MASS SPECTROMETRY WITH MACHINE LEARNING-BASED STRUCTURE ELUCIDATION AND MOLECULAR FORMULA ESTIMATION</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/P_9_Kubota_90c993d536.pdf">Full PDF for download</a></li></ul><section><div><div><div><div><div><div>In GCxGC-MS, compound identification is commonly performed by searching the NIST database (DB) using electron ionization (EI) data. However, some compounds are not registered in the NIST DB. In addition, molecular formula estimation from molecular ions obtained by soft ionization often results in a large number of candidate formulas. To address these issues, we developed two machine learning (ML)–based methods for molecular formula recommendation and structural formula estimation. In this study, these methods are applied to the analysis of aroma compounds in spices using SPME-GCxGC-TOFMS.<h4>Experiments</h4><ul><li>Sample: 0.25 mg dried cardamom seeds&nbsp;</li><li>GC-HRTOFMS: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=23&amp;search=JMS-T2000GC">JMS-T2000GC</a> (JEOL)&nbsp;<ul><li>SPME Fiber: DVB/CAR/PDMS fiber (20 mm, 50/30 μm) at 50°C for 30 min.&nbsp;</li><li>GCxGC Thermal modulator: INSIGHT-Thermal (Sepsolve)&nbsp;</li><li>Modulation period: 6 s&nbsp;</li><li>Column: BPX5 30 m, 0.25 mm. 0.25 µm × Rxi-17Sil MS 3.4 m, 0.15 mm, 0.15µm</li><li>Ionization: Electron ionization (EI) and Field ionization (FI).&nbsp;</li></ul></li><li>Data processing: msFineAnalysis AI (JEOL)</li></ul><h4>Conclusion</h4>We reported two machine learning (ML)-based methods for molecular formula recommendation and structural formula estimation, and applied them to the analysis of aroma compounds. Our method is considered effective for rapid structural estimation of unknown compounds in GCxGC-MS measurements.<h3>3. Shimadzu: HS-GC Analysis of Sake Aroma Compounds Using Hydrogen Carrier Gas</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00886_en_974e971712.pdf">Full PDF for download</a></li></ul><h5>User Benefits</h5><ul><li>Aroma compounds in alcoholic beverages can be quantified easily and cost-effectively.</li><li>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=HS-20+NX">HS-20 NX headspace sampler</a> enables simple, high-sensitivity analysis of aroma compounds.</li><li>Using hydrogen as the carrier gas reduces costs while maintaining separation performance.</li></ul>Aroma is a crucial component of sake. Therefore, during the sake production process, it is essential to preserve the sake’s aroma profile. One key step in sake production is pasteurization (“hiire”), in which unpasteurized sake is heated to sterilize it, deactivate enzymes, and halt fermentation. This pasteurization step is known to impair the aroma of sake if it is carried out for too long or at too high a temperature. In this analysis, a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Nexis+GC-2030">Nexis GC-2030 gas chromatograph</a> was combined with an HS-20 NX headspace sampler (Fig. 1) to quantify individual aroma compounds in sake before and after pasteurization.&nbsp;Headspace gas chromatography (HS-GC) is an effective method for analyzing volatile compounds, including aromas. HS-GC requires no pretreatment (e.g., derivatization), and sample preparation is straightforward: simply place the sample in a vial and perform the analysis.&nbsp;Hydrogen, which is inexpensive and readily available, was used as the carrier gas. Using H2 gas as the carrier reduces analysis costs while maintaining high separation performance over a wide range of linear velocities. However, because hydrogen is flammable, it must be handled with care. The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Nexis+GC-2030">Nexis GC-2030</a>, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Brevis+GC-2050">Brevis GC-2050</a>, and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Nexis+GC-2060">Nexis GC-2060</a> gas chromatographs can be equipped with an optional hydrogen sensor that measures H2 concentration in the column oven. If the hydrogen sensor detects a leak, the system shiftsto standby mode or automatically powers off, helping prevent accidents before they occur.<h4>Conclusion</h4>By combining the Nexis GC-2030 gas chromatograph with the HS-20 NX headspace sampler, the aroma compounds can be easily quantified without pretreatment such as derivatization. In addition, using inexpensive, readily available H2 as the carrier gas reduces analysis costs while maintaining high separation performance. Because the Nexis GC-2030 can be equipped with an optional hydrogen sensor, analyses using H2 carrier gas can be performed safely.<h3>4. Thermo Fisher Scientific: “Outside the box” Raman spectroscopy: Remote measurements for bulk samples</h3><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/remote_measurements_for_bulk_samples_tn1524_en_498225b670.pdf">Full PDF for download</a></li></ul>The effectiveness of Raman spectroscopy depends, in general, on focusing the excitation laser onto the sample. However, there are many cases where a traditional spectrometer’s working distance is not sufficient to achieve this, in which case a focus-independent, long-distance collection proves invaluable. One potential application of this focus-independent “remote” measurement is high-throughput plastics recycling, where many differently sized plastics are passed along at a fixed distance and screened for specific material identification. Similarly, any potential use cases of samples inside a glove box or within a hazardous environment may benefit from long-distance collection, because the laboratory grade spectrometer can be kept clear of the sample enclosure while providing excellent spectral signal. It should be noted that each unique application comes with its own optical beam path and laser safety requirements.In addition to this particular modality, the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2238">Thermo Scientific™ DXR3 Flex Raman Spectrometer</a> provides excellent experimental versatility with micro scale, bulk sampling, and fiber probe collection modes also available. Shown below is a longdistance analytical setup in which the DXR3 Flex Raman spectrometer passes the unfocused laser beam through a quartz shielding window onto a polystyrene sample (Figure 1). The relationship between pathlength/sample mounting preparation and spectral signal is investigated below, to validate the use of a long-distance collection mode as a viable alternative to more traditional, focus-dependent analysis. It is worth mentioning the practice of standoff Raman spectroscopy, a technique designed to provide Raman data at distances ranging from 1 m to several hundred meters. However, these systems often require significantly different components than a standard Raman spectrometer, such as pulsed lasers, gated detectors, UV excitation wavelengths, and telescopic focusing elements.¹ The work described here performs measurements at a distance with a simple, off-the-shelf, benchtop spectrometer.<h4>Practical use case: recycled plastic identification&nbsp;</h4>One of the major benefits of this long-distance measurement technique is being able to handle samples of various sizes and thicknesses without needing to adjust the laser focus for specific samples. The following results simulate a potential use case where remote Raman spectroscopy is used to rapidly identify the plastic materials of various sizes. The samples were fixed at a 50 cm pathlength, and collection times were set at 10 s.All three samples show clear and identifiable Raman signals. The plastic drum is identified as polyethylene, while the water bottle is a specific, BPA-free polycarbonate alternative. The plastic bag is multilayered, with signals from both polyethylene and polycarbonate, along with a visible fluorescence peak at 2150 cm-1. All of these different polymers are spectroscopically identifiable, and at a range of different sample thicknesses. These results provide an excellent view into the use of this technique on non-reference samples. This is just one example of a potential use for the long-distance collection mode, a mode which enables much greater versatility in experimental design and instrument placement.</div></div></div></div></div></div></section>

News from LabRulezGCMS Library - Week 18, 2026

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

The Multidimensional Chromatography Workshop

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Thermo Fisher Scientific

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The Agilent TRS100 Raman system is ideal for fast assay of tablets, capsules, and other dosage forms. Transmission Raman technology from Agilent enables simple method-development and deployment in QC applications. It is easy to implement in analytical laboratories and production areas, and has regulatory approvals for content uniformity (CU), assay, and identification (ID) applications.<blockquote>Presenter: Yanqia Wang, PhD (Application Engineer, Molecular Spectroscopy, Agilent Technologies, Inc.)Dr. Yanqia Wang started working for Agilent Technologies Inc. as a FTIR application Engineer in 2013, providing pre-&amp;post-sale application support. The products he covers from Bench-top FTIR microscopes to various Mobile FTIR spectrometers. Dr. Wang received his PhD of analytical chemistry from Duke University in 2004, doing dynamic IR spectroscopy research. Then he joined Fitzpatrick Center for Photonics at Duke University, doing Tissue Raman spectrometer instrumentation. Since 2007, Dr. Wang worked for Avery Dennison Corp. as a spectroscopist, providing molecular analytical support to the research &amp; development.</blockquote>

Agilent Technologies: Measurement of Content Uniformity Using the TRS100 Quantitative Pharmaceutical Analysis System

Measurement of Content Uniformity Using the TRS100 Quantitative Pharmaceutical Analysis System

The Agilent TRS100 Raman system is ideal for fast assay of tablets, capsules, and other dosage forms.

TRS100 Quantitative Pharmaceutical Analysis System

Join us for an insightful webinar on the advantages and best practices of using Hydrogen as a carrier gas with Gas Chromatography – Mass Spectrometry (GC/MS) instruments. This session will discuss several topics of critical importance when converting from Helium to Hydrogen carrier.Key Topics include:<ul><li>Safety considerations when using Hydrogen</li><li>Selecting the appropriate ion source</li><li>Choosing the right column for Hydrogen carrier gas</li><li>Understanding the effects of Hydrogen on analytical outcomes</li></ul>Whether you are new to GC/MS or looking to enhance your current setup, this webinar will equip you with the knowledge and tools to make informed decisions and improve your analytical results.<blockquote>Presenter: Alex Graettinger (GC/MS Data Acquisition Product Support Agilent)</blockquote>

Agilent Technologies: Becoming a Better Chromatographer - Educational Webinar Series

What to Consider for Success when Transitioning to Hydrogen Carrier Gas with GC/MS Instruments

Join us for an insightful webinar on the advantages and best practices of using Hydrogen as a carrier gas with GC/MS instruments. 

Transitioning to Hydrogen Carrier Gas with GC/MS

Join this webinar to explore how precision analytic technologies like automated mass spectrometry are transforming fermentation in biofood production and can elevate your operations with greater efficiency, consistency and scalability.The future of food production depends on smarter, more responsive manufacturing, especially in fermentation-driven biofoods. As demand grows and sustainability pressures increase, traditional process monitoring can no longer keep pace with today’s complex production challenges.In this webinar, you’ll discover how leading biofood manufacturers are gaining a competitive edge with Process Analytical Technology (PAT) such as automated mass spectrometry (MS). Learn how this technology is being used not only to monitor key gases in real time, but also to reduce waste, optimise yields, and strengthen process control, all without disrupting production.You’ll also gain actionable insights into how tools like the Thermo Scientific™ Prima PRO Process Mass Spectrometer are helping producers overcome common challenges such as data lag, inconsistent batch quality and scaling inefficiencies.<h5>Key learning points:</h5><ul><li>Why mass spectrometry is quickly becoming a standard in fermentation PAT</li><li>How real-time gas analysis can dramatically improve yields and efficiency</li><li>Key considerations for implementing MS in a production setting</li><li>Lessons learned from real use cases in the biofoods space</li></ul><blockquote>Presenter: Daniel Merriman (Product Expert for Mass Spectrometry at Thermo Fisher Scientific)Daniel Merriman is a distinguished process analytics expert with a robust 35-year tenure that commenced at VG Instruments and seamlessly transitioned into his current role at Thermo Fisher Scientific. His extensive experience spans from intricate technical developments to strategic market leadership, underpinning his deep expertise in mass spectrometry—a vital tool in pioneering biofood production. Daniel’s wealth of knowledge makes him an indispensable voice in the webinar, poised to unpack the intricacies of collagen fermentation with the insight that only decades of front-line experience can provide.</blockquote>

New Food Magazine: Fermentation elevated: precision analytics with mass spectrometry in the biofood revolution

Fermentation elevated: precision analytics with mass spectrometry in the biofood revolution

Join webinar to explore how precision analytic technologies (automated mass spectrometry) are transforming fermentation in biofood production

Precision Fermentation Analytics with Mass Spectrometry

<h4>GC×GC-HRTOFMS: (1) QC approaches for volatile molecule analysis and (2) A case study on the detection of TB using sputum volatiles</h4>Grant S. Ochoa, Graham E. Browse, Jane E. HillIn this presentation we discuss (1) the need for quality control of breath and other volatile sample analysis and (2) present a case study of the volatile analysis of sputum.(1) Biological volatile samples carry intrinsic variation, thus external methods of quality control which assess the instrument and sampling variation are necessary to assess data integrity. In this presentation, I will share common quality control approaches such as the use of external standards, internal standards, check samples, and continuing calibration verifications, which can be utilized to demonstrate instrument reliability throughout sample analysis.(2) Tuberculosis (TB) is the world’s deadliest infectious disease, claiming more than 1 million lives each year, largely in low- and middle-income countries. The lack of cheap, rapid diagnostics stands in the way between curbing transmission as well as between patients and treatment in many communities. Volatile analysis represents the potential for a rapid, non-invasive test, with the APOPO organization demonstrating rats can distinguish TB by sniffing the headspace of human sputum (N = 24,000 patients[1]). To identify the biomarkers associated with this approach, the headspace of 100 sputum samples obtained from the Foundation for Innovative New Diagnostics (FIND) biobank were analyzed with SPME-Arrow – GC×GC-HRTOFMS. First, we optimized headspace extraction using SPME Arrow. Using that method, from the full set of volatile metabolites detected, partial least squares – discriminant analysis (PLS-DA), was applied to select a panel of 14 features which were optimal for distinguishing culture-positive sputum from negative. The cross-validated PLS-DA model yielded an AUC of 0.92 and a sensitivity of 0.9 and a specificity of 0.84. These results suggest that volatile biomarkers which distinguish tuberculosis are present in sputum and might contribute to a breathprint for tuberculosis that we are actively exploring. Specifically, this work continues through the creation of the Shirley Diagnostics’ TB Breath Atlas which is based on the analysis the volatile molecules breath from over 1,000 patients.References[1] Kannan R, et al. Scientific Reports 2021, 11:1, <a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1038/s41598-021-81086-x">https://doi.org/10.1038/s41598-021-81086-x</a><blockquote>Presenter: Grant Ochoa (Shirley Diagnostics, Inc.)</blockquote>

LECO: Quality Control Approaches for Volatile Molecule Analysis Using GCxGC-HRTOFMS, Case Study for TB Sputum Volatiles

Quality Control Approaches for Volatile Molecule Analysis Using GCxGC-HRTOFMS, Case Study for TB Sputum Volatiles

Learn QC strategies for volatile analysis and explore case study on TB detection in sputum using GC×GC-HRTOFMS. 

Volatile Analysis in TB Sputum via GCxGC-HRTOFMS

<div id="contentLeft"><div id="realLeftContent"><div id="summary2" dir="ltr" aria-live="off"><div><div dir="" aria-atomic="true">Manufacturers across industries face increasing pressure to enhance process control, reduce variability, and ensure consistent product quality. Online spectroscopy techniques such as Raman and NIR offer powerful, real-time, non-destructive analysis, but successful implementation isn’t always straightforward. Challenges like uncertainty around application feasibility, poorly designed sampling interfaces, weak or overfitted calibration models, integration hurdles, and long-term reliability concerns can limit effectiveness.This webinar will provide practical guidance for overcoming these barriers. Attendees will gain insights into identifying suitable applications, defining technical requirements for robust interface design, developing reliable prediction models, and integrating spectroscopy into existing control systems, all to support confident decision-making and enhance process performance.<h5>This webinar is ideal for:</h5><ul><li>Production and Operations Leaders – including Production Managers, Plant Managers, and Operational Managers</li><li>Technical and Quality Experts – such as Process Engineers, Quality Control Specialists, and Automation &amp; Control Engineers</li><li>R&amp;D and Innovation Professionals – including R&amp;D Scientists, Chemometricians, and Product Development Scientists</li><li>Strategic Decision-Makers – such as Project Leads and Technical Stakeholders</li></ul><h5>Key learning points</h5><ul><li>Implementation Strategy: Learn how to assess feasibility, avoid common pitfalls, and plan for long-term success with online spectroscopy.</li><li>System Design &amp; Integration: Explore best practices for sampling interface design and seamless integration with DCS/PLC systems.</li><li>Calibration &amp; Reliability: Understand how to develop robust calibration models and maintain analyzer accuracy through monitoring, diagnostics, and lifecycle support.</li></ul><blockquote>Presenter: Dr. Sylvie Roussel (CEO, Ondalys)Dr. Sylvie Roussel holds MS degrees in Agricultural Engineering and Control/Robotics, as well as a PhD in Machine Learning from SupAgro Montpellier. She began her career as a Research Associate at Iowa State University, applying machine learning to NIR spectroscopy.Since 2003, she has served as CEO of Ondalys, a consulting and training firm specializing in chemometrics, machine learning, and AI for instrumental data such as spectroscopy, imaging, and chromatography. Ondalys supports industries including pharma, biotech, chemistry, and agrifood by providing calibration development services, model training and coaching, and reselling software tools such as SOLO/PLS_Toolbox, SIMCA®, MODDE, and DesignExpert.From 2009 to 2023, Dr. Roussel also co-founded and led INDATECH, a manufacturer of spectroscopic sensors for PAT, now part of the Chauvin-Arnoux Group. She currently serves on the boards of HélioSPIR and GFSV and contributes to EU projects as an expert in machine learning and optics.Presenter:&nbsp;Elena Hagemann (Process Spectroscopy Product Manager, Metrohm USA)Elena Hagemann is the Product Manager for Process Spectroscopy at Metrohm USA in Riverview, Florida. She earned her Master degree in Analytical and Bioanalytical Chemistry at the Applied University of Aalen, Germany, where she completed her studies with her Master thesis focused on Karl Fischer Titration, NIR Spectroscopy and Multivariate Data Analysis. Elena joined the Metrohm Group in August 2013 and started with Metrohm USA in January of 2018, focusing on Raman and NIR Spectroscopy. She performs internal as well as customer training.</blockquote></div></div></div></div></div>

Metrohm: Best Practices for Implementing Online Spectroscopy

Best Practices for Implementing Online Spectroscopy

Overcome barriers to online Raman/NIR spectroscopy and ensure robust integration, calibration, and control for consistent product quality.

Join us for an enlightening webinar series designed to empower academicians and researchers by exploring the latest advancements and opportunities in pharmaceutical sciences. At Agilent, we recognize the unique challenges faced by academicians, researchers, and students. At PharmaFrontiers, we have curated a series of content tailored to address your needs and unlock new opportunities.The PharmaFrontiers seminar series is designed to provide you with valuable knowledge, insights, and practical skills.Topics to be covered:<ul><li>Enhancing Purity and Impurity Analysis with Advanced GC-MS/MS Hardware and Software Innovations.</li><li>Impurities in Pharmaceuticals.</li><li>TBA</li></ul><blockquote>Presenter: Dr. Pramod Kumar Ragham (Director, Analytical Services Department, Daicel Chiral Technologies India Pvt. Ltd.)With over 24 years of experience in the field of Analytical Chemistry, He has been serving as the Director of the Analytical Services Department at Daicel Chiral Technologies India Pvt. Ltd. since 2017. He holds a Master's degree from Pune University and a Ph.D. from JNTU Kakinada, and has built a diverse portfolio in API and formulation development, including various dosage forms for DMF/ANDA filings, as well as managing regulatory compliance and deficiencies in analytical activities.Before joining Daicel, he held key positions at prominent organizations, including Nektar Therapeutics, Dr. Reddy’s Laboratories, Biocon, Cipla, and Orchid Pharmaceuticals. Notably, he conducted over 400+ extractables and leachable studies and also has expertise in nitrosamine-related development using advanced hyphenated techniques.As an accomplished researcher, he has published seven papers in international journals and actively participates in international conferences, including CPhI events.Presenter: Dr. Narayan Kamble (Product Specialist - GC &amp; GC/MS Agilent Technologies)Dr. Narayan Kamble is a Ph.D. in food and pesticide research and has published his work in many reputable national and international journals over the last 17 years. Also, he has a patent for the extraction of anthocyanin from Medica Black grapes. Currently he is working as a product specialist at Agilent Technologies, India. He is responsible for pre-sales customer support in the field of GC and GC Mass Specs, same time, he is responsible for customer support for method development, validation, and implementing challenging methods in food and pharma testing. He was earlier associated with PerkinElmer India Pvt. Ltd. for the mass spec business. Also, he was associated with Vimta Lab as a group leader and responsible for method development, regulatory requirements, and food sample analysis.Applications of the implementation of gas and liquid chromatography mass spectrometry (GC-MS/MS &amp; LC-MS/MS) in different markets such as Pharmaceuticals, Research, Food Quality &amp; Safety Testing, Environmentalapplications,etc.Presenter: Dr. Soma Dasgupta (Application Engineer - GC/MS, Agilent Technologies)With over 17 years of extensive experience in gas chromatography, Dr. Soma has worked across diverse applications of this analytical technique, addressing challenges in sectors ranging from food safety to pharmaceutical analysis. Her academic journey includes a doctorate from the University of Pune, where she focused on developing comprehensive methods for analyzing agrochemicals in fruits and vegetables.</blockquote>

Agilent Technologies: Pharma Frontiers Live Webinar Series: Analytical Techniques, Advances in Chromatography and Regulatory Compliance

Ensuring Excellence: Cutting-Edge Techniques for Pharmaceutical Analysis [GC/GCMS]

Learn how advanced GC-MS/MS tools improve impurity profiling in pharma. Explore hardware and software innovations for accurate, regulatory-compliant results.

GC/GCMS Pharmaceutical Analysis

<h5>In this webinar, you will learn:</h5><ul><li>How plug-and-play models embedded into a Raman analyzer simplify the calibration workflow</li><li>Applications of ready-to-use models in monitoring glucose, lactate, and monoclonal antibody (mAb) titer during cell culture runs</li><li>How the Transfer Learning Algorithms (TLA) refines and improves the initial models</li><li>How to streamline the implementation of Raman technology in Chromatography and Tangential Flow Filtration (TFF)</li></ul><h5>Detailed description:</h5>Raman spectroscopy is an effective analytical technique for in-line, real-time monitoring of cell culture parameters, requiring a calibration phase that can be resource-intensive and time-consuming. Ready-to-use models directly embedded into the Raman analyzer simplify calibration. Users can bypass extensive model development and begin monitoring for immediate insights.This webinar presents findings from fed-batch and perfusion cell culture runs utilizing ready-to-use models for in-line, real-time measurement of glucose, lactate and mAb titer. The capabilities of on-line Raman sensor for critical attributes monitoring in downstream &amp; new modalities areas will be also highlighted.An on-demand version of this webinar will be available after the live event using the same link. Register now and access the webinar at your convenience.<blockquote>Presenter: Fabrice Thomas (Senior R&amp;D Manager - PAT Raman Technology)Fabrice Thomas has more than 10 years of experience in the development of cutting-edge spectroscopic technologies for challenging industries and in complex R&amp;D project management. As Sr. R&amp;D Manager for Process Analytical Technologies (PAT) at our company, Fabrice's work focuses on the development and implementation of a GMP-ready Raman PAT platform to facilitate process monitoring in the biopharma industry from process development to manufacturing. He holds a Master Degree in Engineering Physics and a Ph.D from University Grenoble Alpes, France.Presenter:&nbsp;Kevin Grollier (PAT Quality Implementation and Support Engineer)Kevin Grollier graduated from the Lyon Pharmaceutical Industry Institute (IPIL), with an M.S. in pharmaceutical production specializing in biotechnology. At our company, he is a PAT implementation and support engineer in charge of implementing Raman projects at customer sites, training ProCellics™ Raman Analyzer users, and providing technical support on hardware, software, and data analysis topics. Before joining our company, he worked at Merial (now BIAH) as a QA validation engineer where he had the opportunity to work on various validation projects.</blockquote>

Merck: Ready-to-Use Raman for Upstream Monitoring — Expanding Insights into Downstream & Novel Modalities

Ready-to-Use Raman for Upstream Monitoring — Expanding Insights into Downstream & Novel Modalities

Discover how ready-to-use Raman models simplify calibration and enable real-time monitoring of glucose, lactate, mAb titer in bioprocessings.

Ready-to-Use Raman for Bioprocess Monitoring

Join us on Wednesday, July 30, 2 p.m. EST, for a session on how automation is revolutionizing solid phase extraction (SPE) workflows across diverse analytical applications.<h5>Featured Talks:</h5><ul><li>"Optimizing SPE Sample Preparation: Automation Strategies for Diverse Sample Volumes and Matrices" – Sebastian Wierer, Product Manager Robotics, LCTech GmbH</li><li>"Automating Solid Phase Extraction Methods: From Fields to Pharmacy" – Fred Foster, Applications Scientist, GERSTEL, Inc.</li></ul><h5>Topics include:</h5><ul><li>Chloramphenicol in honey</li><li>Psilocin in serum and urine</li><li>PPCPs &amp; 6-PPDQ in water samples</li><li>Acidic pesticides in potable water</li><li>Drugs of abuse in blood</li></ul><blockquote>Presenter: Fred Foster (Applications Scientist, GERSTEL, Inc.)Presenter: Sebastian Wierer (Produt Manager Robotics, R&amp;D, LCTech GmbH)</blockquote>

GERSTEL: Smart Sample Preparation: Automated SPE for All Areas of Analytical Chemistry

Smart Sample Preparation: Automated SPE for All Areas of Analytical Chemistry

Join us for a session on how automation is revolutionizing solid phase extraction (SPE) workflows across diverse analytical applications.

Smart Sample Preparation - Automated SPE

<div><div container-id="cq-colctrl-lt0" comp-id="A1"><div>Join this free best practices webinar under the motto "Successful with Chromeleon Software!". This webinar is specifically designed for users who want to further develop and optimize their skills in handling the Thermo Scientific Chromeleon chromatography data system. Goal of this session is to provide you with practical insights and valuable tips so that you can fully exploit the potential of the Chromeleon CDS.<h5>Topics:</h5>1. The new way of eWorkflows: Discover the latest developments in the field of eWorkflows. We will show you how to optimize and automate your workflows with the latest features of Chromeleon CDS. Learn how to save time, increase accuracy of your analysis, and maximize efficiency of your laboratory processes through the use of eWorkflows.2. Easy peak integration: Peak integration is a central task in data analysis with Chromeleon CDS. In this section of the webinar, you will learn how to integrate peaks quickly and accurately. We will introduce proven methods and techniques that will help you simplify and improve your data analysis processes. Discover how to achieve consistent and reliable results with the integrated tools in Chromeleon software.<h5>Reasons to attend:</h5><ul><li>Receive practical tips and tricks from our Chromeleon experts</li><li>Learn about the latest features and updates of Chromeleon CDS</li><li>Improve your efficiency and accuracy in using Chromeleon software</li><li>Take the opportunity to ask questions</li></ul><h5>Who should attend:</h5>This webinar is aimed to all Chromeleon users who want to deepen their knowledge and optimize their workflows. Whether you are a beginner or experienced user - this webinar offers valuable information for everyone.Can´t attend on July 31? Please register anyway to automatically receive the link to the webinar recording.<blockquote>Presenter: Michele Musu (Technical Sales Specialist for Chromatography and Mass Spectrometry Software, Thermo Fisher Scientific)Presenter: Zoe Julian (Product Marketing Manager, Thermo Fisher Scientific)Zoe Julian is a product marketing manager for chromatography and mass spectrometry software at Thermo Fisher Scientific.With over 12 years' experience of working with chromatography and mass spectrometry techniques with a background in GC and GC-MS(/MS) organic environmental analysis, she has helped many laboratories and industries improve their workflows through a unique understanding of their challenges. Transitioning to a focus on Chromeleon CDS she has shown customers how software solutions can improve their productivity and support their day-to-day operations.</blockquote></div></div></div>

Thermo Fisher Scientific: eWorkflows and peak integration in Chromeleon CDS software

eWorkflows and peak integration in Chromeleon CDS software

Webinar is designed for users who want to further develop and optimize their skills in handling the Thermo Scientific Chromeleon chromatography data system

Live insights into VDA 278 and the powerful TVOC Wizzard software that saves you hours of work.Two focused sessions – clear, practical, and time-saving.<h5>Who should attend:</h5><ul><li>Laboratories performing material emissions testing according to VDA 278, ISO 12219-11, ISO 16000-6 or 16000-25 – especially in automotive, construction, furniture, and contract testing sectors.</li></ul><h5>Part 1: Understanding Material Emissions Test (VDA 278) and Why Data Evaluation Matters</h5>This session provides a compact introduction to the Material Emissions Test (VDA 278) Methods for analyzing volatile and condensable organic compounds (VOC / FOG). You’ll learn why this method is widely used for material emissions testing, especially in the automotive sector, and why data processing is often the most time-consuming and error-prone part of the workflow.<h5> Part 2: Software Demo – Automated TVOC Data Processing with the TVOC Wizard</h5>In this live demo, we introduce the GERSTEL TVOC Wizard – the intuitive software tool that transforms complex chromatograms into clear results in minutes. You’ll see how VOC and FOG values are calculated automatically, using deconvolution, retention indices, and an embedded NIST® library – no additional software needed, and fully independent of your GC-MS system.Save hours – or even days – of manual data processing:<ul><li>Automated baseline and peak integration</li><li>Smart identification of unknowns</li><li>Customizable methods and reporting formats</li><li>Fast Excel or LIMS-compatible export</li><li>Consistent, reproducible results – regardless of the user</li></ul><blockquote>Presenter: Dirk Felkel (imat, Moenchengladbach, Germany)Presenter: Maikel Haferkamp (GERSTEL GmbH&amp;Co.KG, Muelheim an der Ruhr, Germany)</blockquote>

The New TVOC Wizard Software

Live insights into VDA 278 and the powerful TVOC Wizzard software that saves you hours of work.

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