<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 1st December 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application notes by <strong>Agilent Technologies, Shimadzu </strong>and<strong> Thermo Fisher Scientific </strong>and presentation by<strong> LECO /MDCW!</strong></p><h3><strong>1. Agilent Technologies: Analysis of 197 Pesticides in Durian by Agilent PAL 3 Autosampler and 7000E Triple Quadrupole GC/MSD</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_197_pesticides_durian_pal3_7000e_gc_msd_5994_8702en_agilent_e5a68eaf99.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Pesticide residue analysis in food products is critical to ensuring consumer safety and regulatory compliance. Durian (Durio zibethinus), known as the "king of fruits" and widely exported across Southeast Asia, China, and beyond, presents unique analytical challenges due to its sulfur-rich compounds, high fat content, and complex volatile matrix. Comprehensive pesticide analysis in such matrices demands highly sensitive, selective, and robust analytical solutions. The European Union Reference Laboratories (EURL) SANTE/11312/2021 guidelines set rigorous performance criteria for pesticide residue analysis, including strict requirements for method accuracy, precision, and sensitivity.1 Laboratories need to achieve recoveries between 70% to 120%, precision (RSD) below 20%, and quantification limits at or below regulatory maximum residue limits (MRLs), even in complex food matrices such as durian. This application note demonstrates a high-performance workflow for the analysis of 197 pesticides in durian using an Agilent PAL3 Autosampler combined with an Agilent 7000E Triple Quadrupole GC/MSD system. The PAL3 Autosampler provides high-throughput, precise sample handling, while the 7000E GC/MSD offers exceptional sensitivity and reproducibility for trace-level pesticide quantification. Optimized sample preparation and instrumental conditions ensure reliable performance, meeting and exceeding SANTE criteria for method validation.</p><h4><strong>Experimental</strong></h4><h5><strong>PAL 3 RTC and 7000E GC/TQ parameters&nbsp;</strong></h5><p>The analysis parameters are shown in Table 1. The target and ISTD compound MRM parameters are listed in Appendix&nbsp;1. Figure 1 shows a typical MRM chromatogram of targeted pesticides spiked in durian at a concentration of 100 ppb.</p><ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=PAL+3"><strong>Agilent PAL 3 (Liquid Tool)</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890"><strong>Agilent 8890 GC</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7000E"><strong>Agilent 7000E</strong></a></li></ul><h4><strong>Conclusion&nbsp;</strong></h4><p>This study successfully demonstrated a robust and sensitive method for the quantitative analysis of 197&nbsp;pesticides in durian using an Agilent PAL3 Autosampler combined with an Agilent&nbsp;7000E Triple Quadrupole GC/MSD system. The optimized workflow, including sample extraction with an Agilent Bond Elut QuEChERS EN kit followed by cleanup with the Highly Pigmented dSPE kit, provided excellent recovery and precision. All target pesticides showed analysis accuracy between 80% and 120% and RSD values below 10% at a spiked level of 10 ppb. The results confirm the method's suitability for routine high-throughput pesticide quantification in complex matrices such as durian. The use of matrix-matched calibration and matrix‑optimized MRMs further ensured accurate and reproducible quantitation, reinforcing the method's applicability for regulatory and food safety testing.</p><h3><strong>2. LECO / MDCW: Applying statistical data processing tools for GC×GC differentiation of alternative aviation fuels</strong></h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/FL_18_Sebastiano_b4cf417f82.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The presentation introduces LECO’s long-standing role in separation science and its evolution from elemental analyzers to advanced mass spectrometry platforms. A key emphasis is placed on LECO’s innovations in <strong>time-of-flight mass spectrometry (TOFMS)</strong>, including the Pegasus series and the new <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=24&amp;search=Pegasus+BTX"><strong>Pegasus BTX</strong></a>, a benchtop TOFMS offering high sensitivity, rugged detector technology, fast spectral acquisition (1–500 spectra/s), and broad mass range (10–1500 m/z). This technological foundation supports comprehensive <strong>GC×GC-MS</strong> workflows essential for analyzing chemically complex matrices such as aviation fuels.</p><p>A major focus of the talk is on <strong>software tools</strong> for non-targeted data processing. LECO’s software ecosystem—<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=24&amp;search=ChromaTOF"><strong>ChromaTOF</strong></a><strong>, ChromaTOF Tile, and </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=24&amp;search=ChromaTOF+Sync"><strong>ChromaTOF Sync</strong></a>—enables detailed deconvolution, quantitation, high-resolution spectral analysis, and especially <strong>statistical comparison of GC×GC datasets</strong>. ChromaTOF Tile uses a chromatographic “tiling” strategy to link datasets and detect differences between sample groups using three statistical metrics: <strong>Fisher Ratio</strong>, <strong>Coefficient of Variation (CoV)</strong>, and <strong>Fold-Change</strong>. Each metric serves a different experimental purpose, from comparing traditional vs. synthetic jet fuels (Fisher Ratio) to exploring variability among multiple alternative fuel processes (CoV), or identifying additive components in two-sample comparisons (Fold-Change).</p><p>The presentation demonstrates how raw GC×GC-MS data are curated into <strong>feature tables</strong>, statistically evaluated, and visualized in <strong>PCA plots, bar charts, and chromatographic overlays</strong>. For example, Fisher Ratio comparison highlights statistically significant chemical differences between conventional Jet A and synthetic fuels, while CoV analysis reveals clustering patterns among diverse synthetic fuel production pathways such as <strong>LT-FT SPK, HT-FT SPK, HEFA, SIP, ATJ, and CHJ</strong>. These workflows enable analysts to rapidly identify biomarkers or distinguishing compositional features within highly complex hydrocarbon matrices.</p><p>Ultimately, the talk demonstrates that choosing the correct statistical processing method can dramatically simplify interpretation of complex GC×GC-MS datasets. LECO’s integrated instrumentation—particularly the Pegasus BTX TOFMS—and software platforms together provide a powerful toolkit for fuel characterization, quality evaluation, and differentiation of emerging <strong>alternative aviation fuels</strong>. By combining comprehensive chromatography with robust statistical approaches, researchers can gain deeper insights into chemical variability, production signatures, and additive packages in modern aviation fuel technologies.</p><h3><strong>3. Shimadzu: Analysis of Formic Acid in Acetone Using GC/MS System</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00957_en_e8b083b86e.pdf"><strong>Full PDF for download</strong></a></li></ul><p>In research on artificial photosynthesis, the analysis of impurities in chemical products and raw materials has increased the demand for high-sensitivity analysis of formic acid. Previous examples of formic acid analysis using GC-BID and GC-FID (Jetanizer ) have been presented, but in this article high-sensitivity analysis of formic acid using the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2050"><strong>GCMS-QP2050</strong></a> (see Fig. 1) isintroduced.</p><h4><strong>Insert, Column Phosphoric Acid Treatment&nbsp;</strong></h4><p>Formic acid is known to adsorb onto the injection port and column, making peak detection difficult. However, by performing phosphoric acid treatment on the glass insert and column before measurement, good peaks can be obtained. The procedure for phosphoric acid treatment of the glass insert is shown in Fig. 2, and the procedure for phosphoric acid treatment of the column isshown in Fig. 3.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>By performing phosphoric acid treatment on the insert and column, it became possible to analyze formic acid in SIM mode down to 0.2 ppm. Furthermore, good results could be obtained for both linearity and repeatability. Additionally, by analyzing in Scan mode, identification of unknown peaks other than formic acid was also achieved.</p><h3><strong>4. Thermo Fisher Scientific: Uninterrupted analysis of VOCs according to U.S. EPA Method 8260C using purge and trap and single quadrupole GC-MS technology</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_001018_gc_voc_analysis_gc_ms_epa_8260c_an001018_na_en_269857401c/an-001018-gc-voc-analysis-gc-ms-epa-8260c-an001018-na-en.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Volatile organic compounds, or VOCs, are human-made contaminants used and produced in the processing of, or as, paints, adhesives, petroleum products, pharmaceuticals, and refrigerants. Many of these compounds contaminate our environment and may cause negative health effects in humans and other living beings. Analytical laboratories must monitor a variety of sample types from the environment to ensure the public are not exposed to elevated levels of VOCs. The latest version of applicable method in the United States, U.S. EPA Method 8260C, is applicable when monitoring a variety of solid waste matrices for the presence of VOCs.</p><p>To perform U.S. EPA Method 8260C, all method acceptance criteria must be achieved. These criteria include calculating the mean response factor and the relative standard deviation (RSD) of the response factors for target analytes. The RSD should be &lt;20%, with minimum response factors (RF) and MDLs for a wide range of target compounds. The analytical method must produce consistent results and be reproducible from day to day, with a continuing calibration verification (CCV) analyzed every 12 hours while samples are run. As the method covers varying matrices, it is important that the performance criteria are met in all samples of interest. The following evaluation describes the use of the ISQ 7610 GCMS coupled to the Atomx XYZ P&amp;T for U.S. EPA Method 8260C.</p><h4><strong>Experimental</strong></h4><h5><strong>Instrument control and data processing&nbsp;</strong></h5><p>Data were acquired, processed, and reported using <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/76"><strong>Chromeleon CDS software</strong></a>, version 7.2. This software can control both the GC-MS system and the Tekmar Atomx XYZ P&amp;T. This enables a single software solution to support the full workflow, simplifying the instrument operation. The optimized method used within this application note is available for download via the Thermo Scientific™ AppsLab library. AppsLab contains all the parameters needed to acquire, process, and report the analytical data for U.S. EPA Method 8260C.2</p><h5><strong>GC-MS parameters&nbsp;</strong></h5><p>A <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/486"><strong>TRACE 1610 GC</strong></a> was coupled to the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/484"><strong>ISQ 7610 MS </strong></a>equipped with the Thermo Scientific™ NeverVent™ vacuum probe interlock (VPI) and an ExtractaBrite™ ion source. Expanded method parameters for the GC-MS system are displayed in Table 3</p><h4><strong>Conclusion&nbsp;</strong></h4><p>The combined analytical solution with the TRACE 1610 GC coupled with the ISQ 7610 system and the Atomx XYZ P&amp;T system provides clear advantages for analytical testing laboratories that analyze environmental samples following the U.S. EPA Method 8260C requirements. The modularity of the TRACE 1610 GC as well as the ISQ 7610 VPI and ExtractaBrite ion source allows users to easily service the injection ports and to exchange ionization sources and analytical columns without venting the mass spectrometer, significantly reducing instrument downtime and minimizing sample analysis interruptions. The Atomx XYZ concentrator’s efficient trap cooling design reduces sample cycle time and allows for increased sample throughput. The moisture control system improves water vapor removal thereby reducing peak interference and increasing GC column life span.&nbsp;</p><p>The experiments performed clearly demonstrate the suitability of this analytical configuration for the analysis of VOCs in various environmental samples in accordance with U.S. EPA Method 8260C with the following performance parameters as evidence:&nbsp;</p><ul><li>The ISQ 7610 VPI coupled with the Tekmar Atomx XYZ P&amp;T exceeds all the requirements outlined in U.S. EPA Method 8260C for analysis of VOCs in wastewater and solid waste.</li><li>Linearity was achieved with &lt;20%,<span>&nbsp;</span>relative standard deviation for both water and soil calibration curves for the majority of compounds.&nbsp;</li><li>The MDL and precision were assessed using n=7 replicates of a 0.2 ppb water standard and n=7 replicates of a 0.5 ppb soil standard. Calculated MDLs were &lt;0.2ppb and RSDs of calculated results were &lt;10% for most compounds in both the soil and water matrices.</li><li>System robustness was tested by continuously acquiring 240 injections of environmental samples over three days with no user intervention at all. The average %RSD of the calculated concentration was 8.30% with an average compound recovery of 90%.</li></ul>

News from LabRulezGCMS Library - Week 49, 2025

News from LabRulezGCMS Library - Week 09, 2026

<p><strong>🎤 Presenter:</strong> <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/articles?search=petr+vozka"><strong>Petr Vozka</strong></a> (California State University LA)</p><p>💾 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/paper/32783"><strong>PDF presentation</strong></a></p><h3><strong>Abstract</strong></h3><p><strong>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.</strong></p><p>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"><strong>TD/PY-GC×GC-TOF-MS</strong></a> analyses will be statistically compared among sites using <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1873"><strong>Chromatof Sync 2D software</strong></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.</p><h3><strong>Video Transcription</strong></h3><p>In this presentation, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/articles?search=petr+vozka"><strong>Petr Vozka</strong></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.</p><p>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.</p><p>Unlike conventional petroleum-derived fuels, plastic pyrolysis oils may contain up to ~50 wt.% olefins, making traditional analytical methods insufficient.</p><h4><span><strong>Why Olefin Characterization Matters</strong></span></h4><p>Olefin content directly impacts:</p><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><p>However, most standard methods (e.g., bromine number, FIA) only provide <strong>bulk unsaturation metrics</strong> and lack structural resolution.</p><p>Additionally, these methods can produce <strong>misleading results</strong>, especially in complex matrices:</p><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><span><strong>Role of GC×GC-FID in Complex Hydrocarbon Analysis</strong></span></h4><p>To address these challenges, the group employs <strong>comprehensive two-dimensional gas chromatography (GC×GC) with FID detection</strong>, which offers:</p><ul><li>High peak capacity</li><li>Structured chromatographic separation</li><li>Quantitative robustness for hydrocarbons</li></ul><p>Using reverse-phase GC×GC, hydrocarbons can be organized into regions:</p><ul><li>n-alkanes</li><li>isoalkanes</li><li>cycloalkanes</li><li>aromatics</li></ul><p>However, a key finding of this work is that <strong>olefins are not confined to a single chromatographic region</strong>, as often assumed in literature. Instead:</p><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><p>This significantly complicates direct quantification.</p><h4><span><strong>Approach 1: GC×GC Combined with Selective Adsorption</strong></span></h4><p>The first strategy combines GC×GC-FID with <strong>silver-modified silica adsorption</strong>:</p><p><strong>Principle:</strong></p><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 <strong>peak area differences</strong></li></ul><p><strong>Key features:</strong></p><ul><li>Sample volume: ~50 µL</li><li>Analysis time: ~15 minutes</li><li>Quantification based on weight % (FID response)</li></ul><p><strong>Advantages:</strong></p><ul><li>Simple and cost-effective</li><li>Provides group-type quantification</li><li>Suitable for high-olefin samples</li></ul><p><strong>Limitations:</strong></p><ul><li>Reliable only above ~5 wt.% olefins</li><li>Primarily applicable to <strong>aliphatic olefins</strong></li><li>Limited performance for heavier or aromatic systems</li><li>Co-elution effects may distort alkane quantification</li></ul><p>Notably, results showed that <strong>alkanes can be overestimated</strong> if olefins are not properly removed prior to quantification.</p><h4><span><strong>Approach 2: Chemical Derivatization for Olefin Identification</strong></span></h4><p>The second strategy focuses on <strong>chemical derivatization of double bonds</strong>, enabling more detailed structural analysis.</p><h5><span><strong>Classical Method: DMDS Derivatization</strong></span></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><p><strong>Outcome:</strong></p><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><span><strong>Limitations:</strong></span></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><span><strong>Next-Generation Derivatization Strategy</strong></span></h4><p>To overcome these limitations, the group explored <strong>alternative disulfide reagents</strong> with improved properties:</p><ul><li>Higher molecular weight → better chromatographic separation</li><li>Improved polarity → enhanced peak shifting</li><li>Reaction at <strong>room temperature</strong></li><li>Reduced reliance on iodine (under development)</li></ul><p>Verification using <strong>¹H NMR</strong> confirmed complete consumption of double bonds, demonstrating full derivatization.</p><p>This new approach significantly improves applicability for:</p><ul><li>Jet fuel and diesel-range samples</li><li>Highly complex pyrolysis oils</li><li>Advanced structural characterization</li></ul><h4><span><strong>Analytical Impact and Future Directions</strong></span></h4><p>This work demonstrates that combining <strong>GC×GC with targeted sample preparation strategies</strong> enables:</p><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><p>Future developments include:</p><ul><li>Integration with <strong>TOF-MS for structural confirmation</strong></li><li>Potential coupling with <strong>VUV detection</strong></li><li>Full method validation across feedstocks</li><li>Expansion toward aromatic olefin analysis</li></ul><h4><span><strong>Conclusion</strong></span></h4><p>Accurate characterization of olefins in plastic recycling streams requires moving beyond conventional bulk methods. The combination of <strong>GC×GC separation with selective adsorption and advanced derivatization</strong> provides a powerful analytical toolbox for resolving these complex systems.</p><p>This work highlights the importance of <strong>method development tailored to emerging matrices</strong>, particularly in the context of circular economy and sustainable materials.</p><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>

Counting Double Bonds: GCxGC–FID For Plastic Pyrolysis Oils (Petr Vozka, MDCW 2026)

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 11th May 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application note by<strong> Shimadzu, </strong>poster by <strong>MDCW / William &amp; Mary</strong> and brochure by <strong>Thermo Fisher Scientific!</strong></p><h3><strong>1. MDCW / William &amp; Mary: Optimizing Solvent Selection and Data Reduction Workflows for GC×GC Fire Debris Analysis</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/P_14_O_Brien_63304669ee.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><h5><strong>What are Ignitable Liquid Residues (ILRs)?&nbsp;</strong></h5><ul><li>Chemical remains of ignitable liquids (IL) (e.g., gasoline or diesel) that did not fully burn during a fire&nbsp;</li><li>ILRs are usually petroleum-based products and contain complex mixtures of volatile chemicals, like hydrocarbons&nbsp;</li></ul><h5><strong>Forensic Analysis of ILRs&nbsp;</strong></h5><ul><li>Collection of porous materials like wood from the fire’s point of origin&nbsp;</li><li>Must be stored in airtight containers to prevent volatile ILR from evaporation&nbsp;</li><li>Passive headspace extraction onto activate charcoal strips (ACS) is used to extract ILRs from debris, and dichloromethane (DCM) is used to extracts ILRs from charcoal strips&nbsp;</li><li>Emerging is the use of two-dimensional gas chromatography – time of fight - mass spectrometry (GC×GC-TOFMS), with higher separation and resolution</li><li>Resulting chromatograms presents a pattern of peaks which can be used to identified specific type of accelerant used&nbsp;</li></ul><h5><strong>Chemometrics&nbsp;</strong></h5><ul><li>The discipline that focuses on the application of statistical and mathematical methods to analyze chemical data and extract meaningful information (Bovens, 2019)&nbsp;</li><li>Helps make sense of large datasets from analytical instruments, find pattens, and classify samples</li></ul><h4><strong>Methods</strong></h4><h5><strong>Analytical Instrumentation&nbsp;</strong></h5><ul><li>LECO corporation <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1097"><strong>BTX4D GC×GC-TOFMS</strong></a> with <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1289"><strong>Paradigm Shift reverse fill-flush (RFF) flow modulator</strong></a></li></ul><h5><strong>Software&nbsp;</strong></h5><ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1873"><strong>ChromaTOF Sync 2D</strong></a> (LECO corporation)&nbsp;</li><li>R Statistical Software</li></ul><h4><strong>Conclusions</strong></h4><p>This study demonstrated that the use of chemometrics can be integrated into a data processing workflow to better understand data sets and create a streamlined process. Using UMAP, patterns identified that were not originally seen in PCA lead to the preferred solvents of ILR extraction being hexane and methanol. Since UMAP allowed visualization of local and global structures, groupings of gasoline samples allowed for better analysis of solvent effect.</p><h3><strong>2. Shimadzu: Multiresidue Pesticides Analysis in Solvent Extract of Annatto (Natural Color Additive) Using </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-TQ8050+NX"><strong>GCMSTQ8050 NX</strong></a></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_06_sip_gc_043_en_95576a9ac4.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>&nbsp;Accurate and reproducible trace level quantitation of pesticides in highly pigmented complex matrix using Ultra-fast GCMSTQ8050 NX and QuEChERS extraction</li><li>Single-laboratory partial validated method for LOQ determination meeting regulatory guidelines</li><li>Ease of instrumental method optimization using GCMS Smart Pesticides Database Ver.2 from Shimadzu Corporation</li></ul><p>Annatto is an orange-red condiment and food colorant derived from the seeds of the achiote tree (Bixa Orellana) (Fig. 1). It is often used to impart a yellow to red-orange color to foods, but sometimes also for its flavor and aroma. Similar effects can be obtained by extracting some of the color and flavor principles from the seeds, which are then added to the food. Annatto and its extracts are now widely used in an artisanal or industrial scale as a coloring agent in many processed food products, such as cheeses, butter, baked goods, potatoes, snack foods, breakfast cereals, smoked fish etc. In these uses, Annatto is a natural alternative to synthetic food coloring compounds.&nbsp;</p><p>Owing to its large culinary uses and other diverse applications, use of chemical pesticides for its production in large quantities is imperative. Dye extraction process may result in concentration of pesticides and in turn contribute to adverse impact on human health when incorporated in various preparations. Hence quantitation of residual pesticides in Annatto extract becomes very important. As the oleoresin is a complex matrix, it is required to develop a rugged, sensitive and efficient method for extraction of residual pesticide and its analysis.&nbsp;</p><p>This study reports a highly sensitive method for simultaneous quantification of multiple pesticides in highly pigmented complex matrix of Annatto using modified QuEChERS[1] with triple quadrupole gas chromatography (GC-MS/MS) system.</p><h4><strong>Materials and Methods</strong></h4><p>For this study, customized reference standard mixture of most commonly observed pesticides in Annatto seeds was procured from Restek Corporation.</p><p>The calibration standards were analyzed from 0.5 to 1000 μg/L. Linearity was plotted by external standard method and using weighted regression of 1/C2. Sample was spiked at 3 levels i.e., 10, 25 and 100 μg/kg. Recovery samples were prepared in 6 replicates at each level. <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-TQ8050+NX"><strong>GCMS-TQ8050 NX</strong></a> (Fig. 2), manufactured by Shimadzu Corporation Japan, was used for quantitation. LabSolutions InsightTM was used for data processing, which helped in evaluating validation parameters with ease.</p><h4><strong>Conclusion</strong></h4><p>This study shows that the modified QuEChERS method combined with GC-MS/MS system is a reliable and efficient tool to quantify residual pesticides in Annatto extract sample. Although Annatto extract is a highly pigmented complex matrix, the modified QuEChERS method significantly reduces interference. Also, extremely sensitive Shimadzu GC-MS/MS allows trace level detection even after multifold dilution of sample. This helps in reducing contamination and enhancing ruggednessresulting in reproducible detection of analytes.</p><h3><strong>3. Thermo Fisher Scientific: Sentinel PRO 710 environmental mass spectrometer Precise real time gas analyzer for toxic volatile organic compounds</strong></h3><ul><li>Product specification</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/sentinel_pro_710_spec_sheet_en_886523bfc2.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=3&amp;search=Sentinel+PRO"><strong>Thermo Scientific™ Sentinel PRO Environmental Mass Spectrometer </strong></a>is a highly reliable and versatile gas analyzer ideal for reporting the presence of toxic VOCs from fugitive emissions in industrial settings to ensure worker safety.</p><h4><strong>Fugitive emissions of toxic VOCs&nbsp;</strong></h4><p>Wherever there is potential danger for fugitive emissions of toxic organic vapors from a chemical production unit, regulating authorities often require plants to keep records of ambient vapor concentrations to protect workers from exposure. Various forms of capture include evacuated vessels, organic vapor monitors, or purge and trap devices, all of which require samples to be sent for analysis. Alternatively, electrochemical sensors or open path FT-IR spectroscopy can provide more immediate results. However, none of these technologies are capable of providing the spatial and temporal resolution required to qualify as actionable information.&nbsp;</p><h4><strong>Analytical platform&nbsp;</strong></h4><p>The primary feature of the Sentinel PRO mass spectrometer is the magnetic sector analyzer. This field-proven technology has demonstrated the strongest performance for industrial on-line gas analysis. Magnetic sector technology offers precision, accuracy, long intervals between calibrations. The new touchscreen interface further enhances usability, providing intuitive in-person operation, simplified maintenance, and real-time data viewing. Multi-role user permissions ensure security and control allowing operators to customize settings based on their specific needs.&nbsp;</p><h4><strong>Comprehensive data collection&nbsp;</strong></h4><p>With speed and precision, the Sentinel PRO analyzer monitors all the critical areas for short-term exposure levels of toxic VOCs, and also provides accurate and time-weighted average exposure data. With a high number of sample points available, many can be located close to potential leak points such as valve stems, etc., enabling leak detection and correction before any toxic hazard is created.&nbsp;</p><h4><strong>Membrane inlet mass spectrometry&nbsp;</strong></h4><p>The analyzer is fitted with a membrane inlet to reduce the pressure of the sample air from atmospheric to the working pressure of the enclosed ion source. This allows a method of sample introduction that greatly enhances the system’s sensitivity to VOCs. Since the membrane is more permeable to VOCs than to major air gases, it provides enrichment by several orders of magnitude, enabling detection as low as 5 ppb (species dependent) permits easy membrane replacement during annual routine maintenance to minimize downtime and increase productivity.</p></div></div></div></div></div></div></section>

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