<p><strong>In the week of October 20, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.</strong></p><blockquote><h4><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></h4><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>5 000 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. SelectScience: Advancing Gas Chromatography Workflows with Smarter and Smaller Systems</strong></h5><ul><li>Mo, 20.10.2025 17:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5595">Registration</a></li></ul><p>Join James Cain, PhD (Agilent Technologies), as he showcases the latest innovations in GC–MS, focusing on smarter, smaller, and more efficient chromatography systems.</p><h5><strong>2. Restek Corporation: The Challenge in Column Selection for GC</strong></h5><ul><li>Tu, 21.10.2025 14:30 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5623">Registration</a></li></ul><p>Join Jaap de Zeeuw for an expert webinar on GC column selection — learn how to replace, optimize, or improve separations using modeling tools, new phases, and smarter column choices.</p><h5><strong>3. Metrohm: Time is Money – How Digitalized Workflows Enhance Laboratory Efficiency</strong></h5><ul><li>Tu, 21.10.2025 15:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5624">Registration</a></li></ul><p>Learn how seamless integration between instruments and LIMS software can save time and increase laboratory efficiency through digital transformation.</p><h5><strong>4. The Analytical Scientist: State-of-the-Art Sample Preparation – Innovation to Sustainability</strong></h5><ul><li>Tu, 21.10.2025 15:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5571">Registration</a></li></ul><p>Join a live roundtable on innovative and sustainable sample preparation technologies, featuring tools and workflows shaping the future of analytical chemistry.</p><h5><strong>5. Separation Science: Ask the Agilent Experts Series – Part 7: The Mass Spec Edition</strong></h5><ul><li>Tu, 21.10.2025 16:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5514">Registration</a></li></ul><p>Join Agilent experts for a GC/GC–MS Q&amp;A session covering sensitivity, solvent focusing, column installation, and best practices for instrument performance.</p><h5><strong>6. Agilent Technologies: Seminar 3 – OpenLab CDS – Custom Calculator and Reporting</strong></h5><ul><li>Tu, 21.10.2025 18:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/557">Registration</a></li></ul><p>Stop using Excel! Learn how to set up calculations in Custom Calculator, create intelligent reports, and customize sequence and injection outputs in OpenLab CDS.</p><h5><strong>7. Wasson-ECE Instrumentation: Vaporizers</strong></h5><ul><li>Tu, 21.10.2025 21:30 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5523">Registration</a></li></ul><p>Discover how Wasson-ECE vaporizers enhance gas analysis through reliable, precise sample introduction in petrochemical, refining, and environmental applications.</p><h5><strong>8. New Food Magazine: Fermentation Elevated – Precision Analytics with Mass Spectrometry in the Biofood Revolution</strong></h5><ul><li>We, 22.10.2025 16:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5375">Registration</a></li></ul><p>Explore how advanced mass spectrometry and automation are transforming fermentation processes and analytics in the biofood industry.</p><h5><strong>9. Agilent Technologies: A Discussion on Sample Preparation of Water Samples for Analysis of Microplastics</strong></h5><ul><li>Th, 23.10.2025 20:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/2365">Registration</a></li></ul><p>Learn about Agilent’s turnkey workflow for microplastic analysis using the 8700 LDIR system, from sample preparation to detection and data interpretation.</p><h5><strong>10. Agilent Technologies: Carbon Capture and Utilization – Enabling a Low-Carbon Future</strong></h5><ul><li>Fr, 24.10.2025 07:30 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5541">Registration</a></li></ul><p>Discover how Agilent GC supports precise analysis of CO₂, syngas, and trace contaminants, empowering reliable carbon capture and utilization workflows.</p>

Webinars LabRulezGCMS Week 43/2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 20th October 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 applicaton notes by <strong>Agilent Technologies, EST Analytical, Shimadzu </strong>and <strong>Thermo Fisher Scientific!</strong></p><h3><strong>1. Agilent Technologies: FAMEs Analysis of Oils by GC-FID Coupled with Fully Automated Sample Preparation using a PAL3 Series 2 RTC</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_fame_oil_gc_pal3_5994_8543en_agilent_418da94d17.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The analysis of fatty acid methyl esters (FAMEs) is a widely used technique for characterizing lipid profiles in various food products, including oils, meats, and seeds. Fats are composed of a complex mixture of saturated, monounsaturated, and polyunsaturated fatty acids, each with varying carbon chain lengths.2 This type of analysis is routinely performed in governmental, quality control (QC), and contract research laboratories worldwide. The resulting data often informs product labeling. Among the analytical techniques available, gas chromatography (GC) with flame ionization detection (GC-FID) is one of the most common methods for determining fatty acid composition in&nbsp;foods.&nbsp;</p><p>This application note describes the use of automated sample preparation and analysis of FAMEs using the PAL3 Series&nbsp;2 RTC Autosampler system coupled with Agilent 8890 GC system equipped with an FID. The results shown here focus on two different methods of derivatization for FAMEs extraction: (1) base catalyzed reactions using potassium hydroxide (KOH) (part&nbsp;number M5795-14000) and (2) base plus acid catalyzed reactions using boron trifluoride (BF3 ) 1 (part number M5795-14001). For ease of use, both processes have been transcribed into dedicated sample preparation methods. These methods are part of the Agilent automated sample preparation workflow suite of solutions. These workflows improve process safety, optimizes throughput, and minimizes&nbsp;errors.</p><h4><strong>Experimental&nbsp;</strong></h4><p>The 37 component FAME mix standard was purchased from Sigma-Aldrich (part number CRM47885), and three consumer oil products were purchased from a local grocery store. The samples were prepared and injected into the GC using the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=PAL3"><strong>PAL3 Series 2-RTC system</strong></a>. The analysis was performed using an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890+GC"><strong>8890 GC</strong></a> equipped with an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=DB%E2%80%91FastFAME"><strong>Agilent DB‑FastFAME GC column</strong></a>, 30&nbsp;m × 250 µm, 0.25&nbsp;µm, (part number G3903‑63011) and configured with an FID using Agilent&nbsp;<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=OpenLab+CDS+v2.7"><strong>OpenLab CDS v2.7+</strong></a>.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>In summary, the current study demonstrated excellent reproducibility and accuracy using automated sample preparation and analysis of FAMEs. Two different sample preparation methods were demonstrated, both delivering comparable and reliable results. The base-catalyzed method enables rapid analysis but is not suitable for samples containing free fatty acids. In contrast, the acid-catalyzed method, while more extensive, is compatible with a broader range of lipid classes, including free fatty acids, phosphoglycerides, and triglycerides. The Agilent automated sample preparation workflow suite of solutions deliver a comprehensive package by combining preconfigured hardware, optimized analytical methods, and the necessary consumables to ensure efficient and reliable results.</p><h3><strong>2. EST Analytical: Unregulated Contaminant Monitoring Rule 3 for USEPA Method 524.3 and 524.4</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Purge_and_Trap_Unregulated_Contaminant_Monitoring_Rule_3_for_USEPA_Method_524_3_and_524_4_b774e6ab4c.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The third Unregulated Contaminant Monitoring Rule (UCMR 3) was finalized in April of 2012. UCMR 3 requires public water systems to monitor for a specific list of 30 contaminants under three separate lists: list one, assessment monitoring, list two, screening survey, and list three, pre-screen testing. This application note will address the volatile organic compounds found in list one, assessment monitoring contaminants. USEPA Method 524.3 and 524.4 will be the methods evaluated for sampling and analysis.</p><h4><strong>Discussion&nbsp;</strong></h4><p>The amendments to the Safe Drinking Water Act (SDWA) require the EPA to list no more than 30 unregulated contaminants to be monitored by public water systems. Every five years, this list needs to be updated. List one contaminants include seven volatile organic compounds to be analyzed by USEPA Method 524.3. The detection limits for these compounds are much lower; therefore, Single Ion Monitoring (SIM) must be used for compound detection. USEPA Method 524.3 and 524.4 allow for modification of purge and trap parameters in order to take advantage of purge and trap improvements. Thus, method parameters can be modified in order to optimize purge and trap cycle times. Since the purge and trap parameters were established for these methods previously, refer to application note Drinking Water Analysis Conditions for USEPA Method 524.3 and the Newly Proposed Method 524.4, purge and trap method development was not required for this application. For this study, Helium and Nitrogen purge gases were compared utilizing the same purge volume then comparing experimental results for the linearity, precision, accuracy and overall compound response for the low level requirements set by UCMR 3.&nbsp;</p><h4><strong>Experimental&nbsp;</strong></h4><p>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2160"><strong>EST Analytical Encon Evolution purge and trap concentrator</strong></a> and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2159"><strong>Centurion WS autosampler </strong></a>were interfaced to an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7890%2F5975"><strong>Agilent 7890/5975 GC/MS</strong></a>. The purge and trap concentrator was configured with a Vocarb 3000 (K) analytical trap. A chiller unit capable of keeping the sample vials cooled below 10°C was installed on the Centurion WS autosampler. The experimental parameters are listed in Tables 1 and 2.</p><h4><strong>Conclusion</strong></h4><p>The Encon Evolution and Centurion WS in conjunction with the Agilent 7890/5975 GC/MS performed very well using both the Helium and Nitrogen purge gases and employing SIM for compound detection. The Nitrogen and the Helium purge gases met USEPA Method 524.3 curve linearity criteria and produced comparable results for precision and accuracy at the low and mid-levels of the calibration curve. Overall, the principal difference between the two purge gases was exhibited in the compound response. When examining the overall compound response factors over the curve range, it is evident that the analytes’ responses are slightly lower with the Nitrogen purge gas as opposed to the Helium purge gas.</p><h3><strong>3. Shimadzu: Comparison of Metabolites in Rice from Different Production Areas Using GC-MS/MS</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_01000_en_9c1d7cfe70.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Metabolomics is a research method for comprehensively analyzing metabolites contained in an organism. It is used for a wide variety of fields, such as medical science and food. Because food quality is affected by many components complexly, comprehensive analysis of metabolites can help improve food development and manufacturing processes. Rice contains metabolites, such as sugars, amino acids, and fatty acids. In recent years, development of more flavorful rice has been studied.&nbsp;</p><p>This article describes simultaneous analysis of 502 metabolites and multivariate analysis of a variety of rice from different production areas. The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-TQ8040+NX"><strong>GCMS-TQ8040 NX</strong></a> with the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Smart+Metabolites+Database+ver.+2"><strong>Smart Metabolites Database Ver. 2</strong></a> was used for measurement. <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=LabSolutions+Insight"><strong>LabSolutions Insight </strong></a>was used for data processing, and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=eMSTAT+Solution"><strong>eMSTAT Solution</strong></a> was used for multivariate analysis. The process flow, from pretreatment to data analysis, is shown in Fig. 1.</p><h4><strong>eMSTAT Solution&nbsp;</strong></h4><p>eMSTAT Solution is statistical analysis software that enables multivariate and discriminant analysis of chromatogram data. For multivariate analysis, it can discriminate between samples, and it can search for the marker peaks that contribute to those differences. For discriminant analysis, it can create a discriminant model based on training data and use the model for discriminant analysis. Users can easily switch both modes with just a single click. Workflow of the data analysis is shown in Fig. 2.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>Metabolites in same variety of rice from different production areas were analyzed, and the differences between samples were identified by multivariate analysis. Score plots were used to visualize differences between the samples, and loading plots were used to confirm the characteristic compounds. Smart Metabolites Database Ver. 2, LabSolutions Insight, and eMSTAT Solution make metabolites analysis, data processing, and multivariate analysis easy for beginner users.</p><h3><strong>4. Thermo Fisher Scientific: Automated, multi-parameter gasoline characterization using GC-VUV and ASTM D8071</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_003957_gc_vuv_trace_1610_vga_industrial_an003957_na_en_3c0a64e3b2.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Gasoline is a complex hydrocarbon blend whose composition directly impacts combustion behavior, emissions, and regulatory compliance. Accurately quantifying components such as aromatics, olefins, ethanol, and benzene is critical, but traditional ASTM methods require multiple techniques (FIA, GC-FID, GC-MS, etc.) to measure all relevant parameters. Table 1 summarizes several test methods and their respective scopes.&nbsp;</p><p>ASTM D8071 introduces a consolidated method using GC-VUV, offering improved precision, spectral resolution, and reduced operational burden. This approach is now recognized as an EPA- and CARB-approved alternative to several legacy test methods, including ASTM D1319, D5599, D5769, and D3606.</p><h4><strong>Experimental&nbsp;</strong></h4><p>Gasoline samples were analyzed on the VUV Analyzer Platform for Fuels with no sample preparation required. The VUV Analyzer consists of the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/486"><strong>Thermo Scientific™ TRACE™ 1610 gas chromatograph</strong></a> coupled to the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=3&amp;search=VGA-100"><strong>VGA-100™ spectrometer detector </strong></a>(VUV Analytics, Inc.).&nbsp;</p><p>Data are acquired and processed with the VUVision™ Software and VUV Analyze™ Software (VUV Analytics, Inc), respectively, specifically configured to run ASTM D8071.&nbsp;</p><h5><strong>Workflow overview&nbsp;</strong></h5><p>The VUV Analyzer Platform for Fuels performs gasoline PIONA class analysis using a streamlined five-step workflow:&nbsp;</p><ol><li>System validation – Verifies instrument performance using standard hydrocarbons.&nbsp;</li><li>Sample prep – No preparation required.&nbsp;</li><li>Data acquisition – Performed using VUVision Software.&nbsp;</li><li>Spectral matching – Automated deconvolution with VUV Analyze Software.&nbsp;</li><li>Quantitation – Volume % and mass % calculated with high accuracy using built-in response factors and density data.</li></ol><h4><strong>Conclusion&nbsp;</strong></h4><p>GC-VUV with ASTM D8071 enables complete hydrocarbon group and compound-level analysis of gasoline in a single method. Its ability to automate spectral deconvolution and report mass and volume percentages simplifies operations while meeting strict compliance standards. This solution not only enhances analytical accuracy and repeatability but also drastically reduces operating costs and lab complexity.&nbsp;</p><ul><li>Short analysis time with full gasoline class and compound profiling in 34 minutes&nbsp;</li><li>Faster throughput with full automation from injection to reporting&nbsp;</li><li>12× lower cost-per-analysis, due to reduced labor, no calibration standards, and consolidated workflow</li></ul>

News from LabRulezGCMS Library - Week 43, 2025

<p><strong>Essential-oil nanoformulations represent promising green-nanotechnology tools for mosquito control. We investigated, for the first time, the effect of Polysorbate 80 (PS80) on the larvicidal efficiency of </strong><i><strong>Dizygostemon riparius</strong></i><strong> essential-oil nanoemulsions (EODr) against </strong><i><strong>Aedes albopictus</strong></i><strong>, a vector of arboviruses such as dengue. Using a simplex-centroid design, EODr nanoemulsions were optimized and their ecotoxicological impact assessed on </strong><i><strong>Artemia salina</strong></i><strong> microcrustaceans.</strong></p><p>The essential oil, obtained by hydrodistillation, contained fenchol, fenchyl acetate, caryophyllene, and caryophyllene oxide, as confirmed by GC–MS–FID and NMR analyses. Dynamic light scattering and TEM revealed spheroidal nanostructures with favorable stability (PDI, ZP). The optimized formulation displayed potent larvicidal activity and markedly lower toxicity than conventional chemical larvicides, underscoring its potential as a sustainable mosquito-control alternative.</p><blockquote><h4><strong>The original article</strong></h4><h4><a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.jafc.5c04690"><strong>Influence of Polysorbate 80 on the Larvicidal and Ecotoxicological Profile of Dizygostemon riparius Essential Oil Nanoemulsion: Insights into Green Nanotechnology</strong></a></h4><p>Clenilma M. Brandão, Djanira R. dos Santos, Lucas G. P. Silva, Mirla C. Ferreira, Joyce M. de F. Mesquita, Melissa P. Souza, Carlos A. Holanda, Renato S. Gonçalves, Emmanoel V. Costa, Georgiana E. de C. Marques, Rogério de M. Teles, Kiany S. B. Cavalcante*</p><p>J. Agric. Food Chem. 2025, 73, 31, 19327–19339</p><p><a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1021/acs.jafc.5c04690">https://doi.org/10.1021/acs.jafc.5c04690</a></p><h6>licensed under <a target="_blank" rel="noopener noreferrer" href="https://creativecommons.org/licenses/by/4.0/"><strong>CC-BY 4.0</strong></a></h6></blockquote><p><strong>Selected sections from the article follow. Formats and hyperlinks were adapted from the original.</strong></p><p>Emerging and reemerging arboviruses represent a global public health challenge. Dengue, chikungunya, and Zika viruses are primarily transmitted by <i>Aedes aegypti</i> and <i>Aedes albopictus</i> mosquitoes. <a href="javascript:void(0);">(1,2)</a> This is a global concern, but especially in Brazil and Maranhão, where vaccination coverage is still expanding and the recurrent increase in epidemic cases raises concerns and requires urgent measures to prevent and combat the mosquito vectors. <a href="javascript:void(0);">(3)</a> The main control strategies are the use of larvicides and synthetic insecticides. <a href="javascript:void(0);">(4)</a> However, the repeated use of these synthetic compounds has contributed to the selection of resistant populations of <i>Aedes</i> mosquito species. <a href="javascript:void(0);">(5)</a></p><p>In this way, the search for natural larvicides has proven to be a promising alternative strategy, with essential oils (EOs) standing out, since the complex mixture of bioactives in EOs includes classes of metabolites that give plants protection and reduce resistance against attacks by pathogens and insects. <a href="javascript:void(0);">(6)</a></p><p>The bioactivity of EOs can be attributed to their complex mixture mainly composed of monoterpenes, sesquiterpenes, and their oxygenated derivatives. <a href="javascript:void(0);">(7,8)</a> The biological activity of EOs against <i>Aedes</i> mosquitoes is associated with multiple mechanisms, depending on the target action, from digestive toxicity to enzyme inhibition and toxicity to the nervous system in the larval stage. They are therefore promising, effective, and potentially environmentally safe alternatives to current synthetic larvicides. <a href="javascript:void(0);">(9−11)</a></p><p>However, the limited availability of raw materials, low yield, high volatility, and low miscibility of EOs in aqueous media make their application in natura unfeasible. In this context, the use of surfactants is necessary, with nonionic surfactants being the most viable for use with EOs, as they reduce changes in their properties and promote the formation of micellar and/or vesicular structures with greater efficiency on a micro and/or nanoemulsion scale. <a href="javascript:void(0);">(12,13)</a></p><p>In this context, the study focuses on the chemical composition of the EO of the plant species identified in the Cerrado biome region in the state of Maranhão, with two floral morphotypes, lilac and white, registered as <i>Dizygostemon riparius</i> Scatigna and Colletta (Plantaginaceae), <a href="javascript:void(0);">(14)</a> characterized the chemical profile of the EO of <i>D. riparius</i> (EO<i>Dr</i>) as terpenic and evaluated the larvicidal action against larvae of the <i>A. albopictus</i> mosquito, with this action being attributed to the EO matrix consisting of the major chemotypes, fenchyl acetate and fenchol. <a href="javascript:void(0);">(15)</a></p><p>In the above-mentioned study, polysorbate 80 (PS<sub>80</sub>), a nonionic surfactant, was used in the composition of the emulsified system. Although PS<sub>80</sub> is widely used in the preparation of emulsions, microemulsions and nanoemulsions, optimal concentration for formulations of mixtures with EOs is not well-defined in the literature. <a href="javascript:void(0);">(16−18)</a></p><p>In addition to the search for emulsified systems and promising strategies to enhance the action of the bioactives present in EO<i>Dr</i>, the use of design of experiments (DOE), such as simplex centroid design (SCD), are of paramount importance to understand the interaction between the constituents of emulsified systems, in addition to increasing target-biocidal action and decreasing biological resistance. <a href="javascript:void(0);">(19)</a></p><p>The SCD is a mathematical-statistical approach to mixture design aimed at developing and optimizing analytical responses. The adoption of this approach has proven to be methodologically effective for modeling the combined biological activities of different secondary metabolites. <a href="javascript:void(0);">(20,21)</a></p><p>Furthermore, this type of experimental design is of great practical interest, as it involves a minimum number of experiments, the development of improved and/or innovative formulations that provide targeted responses and highlight general aspects of the interactions between independent factors. <a href="javascript:void(0);">(22−24)</a></p><p>The article presents the formulation and characterization of EO<i>Dr</i> nanoemulsion systems and the investigation of the influence of PS<sub>80</sub> on the larvicidal and ecotoxicological activity of emulsified EO<i>Dr</i> mixtures, using the SCD methodology, as well as their EO<i>Dr</i>-PS<sub>80</sub> interactions.</p><h4><strong>Experimental Section</strong></h4><h5><strong>Chemical Composition: CG-FID and GC-MS</strong></h5><p>The GC-FID analysis was conducted using a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GC-17A"><strong>Shimadzu GC-17A</strong></a>. The GC-MS analysis was performed using a Thermo Scientific Trace Ultra GC coupled to an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/484"><strong>ISQ MSQ</strong></a>. <a href="javascript:void(0);">(27,28)</a> Detailed methodology is provided in the <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.jafc.5c04690/suppl_file/jf5c04690_si_001.pdf">Supporting Information</a>.</p><h5><strong>Chemical Composition: NMR 1H and 13C</strong></h5><p>The NMR spectra of the EO<i>Dr</i> sample and the chemical standards of the main compounds, including 1D (<sup>1</sup>H, <sup>13</sup>C, DEPT-135) and 2D (COSY, HSQC, HMBC), were recorded using a BRUKER AVANCE III HD spectrometer (Billerica, MA, USA), operating at 11.75 T (500.13 MHz for <sup>1</sup>H NMR and 125.76 MHz for <sup>13</sup>C NMR). Detailed methodology is provided in the <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.jafc.5c04690/suppl_file/jf5c04690_si_001.pdf">Supporting Information</a>.</p><h5><strong>Nanoemulsions Formulation</strong></h5><p>The nanoemulsions were obtained by the low-energy oil–water emulsification method (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.jafc.5c04690#fig1">Figure 1</a>) without the use of specialized equipment. <a href="javascript:void(0);">(29)</a> The steps of preparation of the mixtures involved some of the 12 principles of green chemistry. <a href="javascript:void(0);">(30)</a></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/J_Agric_Food_Chem_2025_73_31_19327_19339_Figure_1_General_scheme_for_the_preparation_of_EO_Dr_PS_80_nanoformulations_03a883a55f.jpg" alt="J. Agric. Food Chem. 2025, 73, 31, 19327–19339: Figure 1. General scheme for the preparation of EODr-PS80 nanoformulations." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_J_Agric_Food_Chem_2025_73_31_19327_19339_Figure_1_General_scheme_for_the_preparation_of_EO_Dr_PS_80_nanoformulations_03a883a55f.jpg 245w," sizes="100vw" width="1674" height="658"></p><h4><strong>Results and Discussion</strong></h4><h5><strong>Chemical Profile: GC-MS and CG-FID</strong></h5><p>The chemical profiling of the EO<i>Dr</i> matrix confirmed the plant species’ chemical composition and allowed us to associate the interactions between its constituents with the observed biological responses.</p><p><a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.jafc.5c04690#tbl1">Table 1</a> shows the chemical composition via GC-MS and CG-FID of the EO<i>Dr</i> matrix, lilac floral morphotype, as well as the analysis of the chemical patterns (Sigma-Aldrich) of the four chemotypes in relative percentage (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.jafc.5c04690/suppl_file/jf5c04690_si_001.pdf">Figures S1–S13</a>).</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/J_Agric_Food_Chem_2025_73_31_19327_19339_Table_1_Chemical_Composition_of_EO_Dr_Lilac_Morphotype_and_Patterns_of_the_Major_Chemotypes_0068a4fae4.jpg" alt="J. Agric. Food Chem. 2025, 73, 31, 19327–19339: Table 1. Chemical Composition of EODr, Lilac Morphotype, and Patterns of the Major Chemotypes. P = chromatogram peaks (Figures S1, S6, S8, S10, and S12); RTmin = retention time; RICalc. = calculated retention indices (on TR-5MS capillary column 30 m × 0.25 mm × 0.25 μm) according to van Den Dool and Kratz, (27) based on a homologous series of normal alkanes; RILit. = literature retention indices, Adams; (28) % = relative percentage; MF = molecular formula; TC = terpene classes." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_J_Agric_Food_Chem_2025_73_31_19327_19339_Table_1_Chemical_Composition_of_EO_Dr_Lilac_Morphotype_and_Patterns_of_the_Major_Chemotypes_0068a4fae4.jpg 136w," sizes="100vw" width="944" height="1085"></p><p>The chemical matrix of EO<i>Dr</i> shows a terpene profile, displaying chemical compound classes of monoterpenes, oxygenated monoterpenes, sesquiterpenes and oxygenated sesquiterpenes, totaling 98.77% of the relative percentage of chemical constituents. The predominance of oxygenated monoterpenes fenchol and fenchyl acetate is significant, totaling 89.0% of the EO<i>Dr</i> matrix.</p><p>The chemical profile observed in the present study is in line with the results reported by Brandão and collaborators, <a href="javascript:void(0);">(15)</a> as well as Galvão and associates <a href="javascript:void(0);">(39)</a> who observed the terpene pattern of the EO of the same plant species, with emphasis on the chemotypes of the species, oxygenated monoterpenes, endo fenchol, 42.97%; endo fenchyl acetate, 46.03%; sesquiterpenes; (E)-caryophyllene, 4.81% and oxygenated sesquiterpenes, caryophyllene oxide, 1.94%.</p><p>The percentage variations observed in the chemical composition compared to previously published studies are due to circadian, seasonal and edaphoclimatic conditions, as the yield and chemical composition of EOs are associated with rainfall, relative humidity, solar radiation, atmospheric constitution and variations in temperature range, wind, soil and relief. <a href="javascript:void(0);">(40−44)</a></p><p>Several studies suggest that the terpenic pattern of various chemical matrices of EOs extracted from different botanical families is correlated with high larvicidal activity against <i>A. albopictus</i> and <i>A. aegypti</i> larvae. <a href="javascript:void(0);">(45,46)</a> In this respect, studies indicate that the bioactives in the essential oil and crude extracts of the lilac morphotype of the species from the Maranhão Cerrado, <i>D. riparius</i>, have effective larvicidal activity, respectively, against the species <i>A. albopictus</i> and <i>A. aegypti</i>. <a href="javascript:void(0);">(15,47)</a></p><h5><strong>Chemical Profile: 1H NMR and 13C NMR</strong></h5><p>The <sup>1</sup>H NMR data (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.jafc.5c04690#tbl2">Table 2</a>) provide crucial insights into the differentiation of the four major compounds in the EO<i>Dr</i> sample: fenchol, fenchyl acetate, caryophyllene, and caryophyllene oxide (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.jafc.5c04690#fig3">Figure 3</a>).</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/J_Agric_Food_Chem_2025_73_31_19327_19339_Figure_3_Structures_of_the_main_compounds_chemical_markers_of_the_species_D_riparius_4b26a414e5.jpg" alt="J. Agric. Food Chem. 2025, 73, 31, 19327–19339: Figure 3. Structures of the main compounds, chemical markers of the species D. riparius." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_J_Agric_Food_Chem_2025_73_31_19327_19339_Figure_3_Structures_of_the_main_compounds_chemical_markers_of_the_species_D_riparius_4b26a414e5.jpg 245w," sizes="100vw" width="1657" height="353"></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/J_Agric_Food_Chem_2025_73_31_19327_19339_Table_2_NMR_Data_for_1_H_125_M_Hz_CD_Cl3_of_the_Sample_Presented_as_Chemical_Shifts_d_b2ea86d88d.jpg" alt="J. Agric. Food Chem. 2025, 73, 31, 19327–19339: Table 2. NMR Data for 1H (125 MHz; CDCl3) of the Sample Presented as Chemical Shifts (δ)" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_J_Agric_Food_Chem_2025_73_31_19327_19339_Table_2_NMR_Data_for_1_H_125_M_Hz_CD_Cl3_of_the_Sample_Presented_as_Chemical_Shifts_d_b2ea86d88d.jpg 211w," sizes="100vw" width="1060" height="786"></p><p>Fenchol and fenchyl acetate exhibit characteristic singlets at δ 1.08 and 1.09 for C8, along with methyl signals at δ 0.98–1.03 (C9) and δ 0.86–0.77 (C10), which confirm their bicyclic structures. The presence of a doublet at δ 3.25 in fenchol and at δ 4.35 in fenchyl acetate further differentiates the hydroxyl and acetate functional groups at C2, respectively.</p><p>Caryophyllene is distinguished by its olefinic protons at δ 5.43–5.29 (H5), indicative of its bicyclo[3.3.0]octane system, whereas caryophyllene oxide exhibits shifts at δ 4.97 and 4.86 (H13), confirming the presence of an epoxide moiety. Additionally, the overlapping multiplets in the aliphatic region (δ 1.05–1.77) for all four compounds complicate signal attribution, especially due to spectral congestion from fenchol and fenchyl acetate.</p><p>However, the combined use of <sup>13</sup>C NMR, DEPT-135, and two-dimensional NMR techniques enabled the complete assignment of all proton resonances, ensuring accurate structural characterization (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.jafc.5c04690/suppl_file/jf5c04690_si_001.pdf">Figures S14–S19</a>).</p><p>The NMR data (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.jafc.5c04690#tbl3">Table 3</a>) clearly distinguish the four major compounds in the EO<i>Dr</i> sample. Fenchol and fenchyl acetate exhibit similar chemical shifts, particularly at δ 49.1 and δ 48.1 (C1) and in the C3–C10 region. The key differentiating feature is the ester carbonyl signal at δ 171.6 in fenchyl acetate, absent in fenchol. Both compounds also display an oxygenated carbon at δ 85.1 and δ 86.1 (C2), indicative of a tertiary alcohol or ester functionality.</p>

Influence of Polysorbate 80 on the Larvicidal and Ecotoxicological Profile of Dizygostemon riparius Essential Oil Nanoemulsion: Insights into Green Nanotechnology

<p><strong>In the week of October 27, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.</strong></p><blockquote><h4><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></h4><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>5 000 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Agilent Technologies: Session 4 – OpenLab CDS for MS Data</strong></h5><ul><li>Tu, 28.10.2025 18:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/3220">Registration</a></li></ul><p>Learn expert tips for efficiently analyzing MS-specific data within OpenLab CDS. Enhance your workflow with optimized data review and processing strategies.</p><h5><strong>2. Wasson-ECE Instrumentation: Data Handling Software – OpenLab ChemStation vs CDS</strong></h5><ul><li>Tu, 28.10.2025 20:30 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5524">Registration</a></li></ul><p>Compare Agilent OpenLab ChemStation and CDS software. Discover key differences in data handling, reporting, and workflow efficiency for modern labs.</p><h5><strong>3. Agilent Technologies: Forensic Identification Using Infrared Spectroscopy</strong></h5><ul><li>Tu, 28.10.2025 21:30 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5522">Registration</a></li></ul><p>Learn how the Agilent Cary 630 FTIR with ATR enables fast, accurate identification of forensic samples for reliable evidence analysis.</p><h5><strong>4. AZoM: Rheo+Raman – Deeper Polymer Insights from Research to QC</strong></h5><ul><li>We, 29.10.2025 14:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5599">Registration</a></li></ul><p>Join Prof. Thomas J. Wallin (MIT) and Anton Paar experts to see how Rheo+Raman reveals polymer flow, curing, and 3D printing behavior in real time.</p><h5><strong>5. AZoM: Power Up Your Process – Discover the Prima PRO 710 Mass Spectrometer</strong></h5><ul><li>Th, 30.10.2025 15:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5576">Registration</a></li></ul><p>Explore Thermo Fisher’s new Prima PRO and Sentinel PRO 710 MS systems for smarter, faster, and more reliable real-time gas analysis.</p>

Webinars LabRulezGCMS Week 44/2025

News from LabRulezGCMS Library - Week 44, 2025

Determination of Chemical Mixtures in Environmental, Food, and Human Samples Using High-Resolution Mass Spectrometry-Based Suspect Screening Approaches

<p><strong>In the week of November 3, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.</strong></p><blockquote><h4><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></h4><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>5 000 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><div><div><div><div><div><div><h5><strong>1. Wiley: Discover Hidden Trends in Spectral &amp; Chromatographic Datasets</strong></h5><ul><li>Tu, 4.11.2025 14:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5604">Registration</a></li></ul><p>Learn how KnowItAll’s new Trendfinder tool uses Principal Component Analysis (PCA) to uncover hidden relationships and trends in large spectral and chromatographic datasets.</p><h5><strong>2. Wasson-ECE Instrumentation: Rotary Valve Training</strong></h5><ul><li>Tu, 4.11.2025 21:30 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5525">Registration</a></li></ul><p>Gain hands-on insights into rotary valve operation, maintenance, and troubleshooting to ensure optimal performance in chromatographic and analytical systems.</p><h5><strong>3. Phenomenex: Clear Signals – Navigating Baseline Challenges in GC</strong></h5><ul><li>We, 5.11.2025 10:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5609">Registration</a></li></ul><p>Join Duilio Romanello to master GC baseline troubleshooting. Learn to diagnose noise and drift issues, improve stability, and optimize GC method performance.</p><h5><strong>4. Technology Networks: Enhancing Pharmaceutical Manufacturing Using Raman Spectroscopy</strong></h5><ul><li>We, 5.11.2025 17:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5563">Registration</a></li></ul><p>Discover how Raman spectroscopy enables fast, non-destructive pharmaceutical testing. Improve process efficiency, ensure compliance, and explore future innovations.</p><h5><strong>5. Thermo Fisher Scientific: Mastering Mass Spectrometry with Chromeleon CDS – Expert Tips and Tricks</strong></h5><ul><li>We, 5.11.2025 20:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5386">Registration</a></li></ul><p>Learn advanced Chromeleon 7.4 features to optimize mass spectrometry workflows. Boost data quality, streamline configuration, and explore new MS performance tools.</p><h5><strong>6. Agilent Technologies: Power Ahead with Ammonia</strong></h5><ul><li>Th, 6.11.2025 07:30 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5542">Registration</a></li></ul><p>Explore how Agilent GC systems ensure ammonia purity and support hydrogen generation through cracking for safe, efficient energy and mobility applications.</p><h5><strong>7. Waters Corporation: Analysis, Mitigation, and Monitoring in Modern Data Governance</strong></h5><ul><li>Th, 6.11.2025 16:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5658">Registration</a></li></ul><p>Learn how advanced data governance strategies improve compliance, quality, and resilience across analytical and regulatory systems.</p></div></div></div></div></div></div>

Webinars LabRulezGCMS Week 45/2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 3rd November 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 applicaton notes by <strong>Agilent Technologies, EST Analytical </strong>and <strong>Thermo Fisher Scientific </strong>and poster by<strong> Shimadzu!</strong></p><h3><strong>1. Agilent Technologies: Estimation of Methyl Bromide Residues in Food</strong></h3><p><strong>Using the Agilent 8890 GC and Agilent 7010 triple quadrupole GC/MS system with Agilent 8697 headspace sampler</strong></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_methyl_bromide_food_8890_gc_7010_tq_8697_hs_5994_8499en_agilent_35c0751a37.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Bromomethane (methyl bromide) is a halogenated hydrocarbon with a boiling point of 3.6 °C. It is widely used as a fumigant due to its strong fumigation and penetration effects, effectively controlling pests.1 However, methyl bromide is harmful to the ozone layer, causes environmental pollution, and is harmful to humans.2 By 2015, most countries phased out its production and application, except for essential uses such as port quarantine. China stopped agricultural use of methyl bromide by the end of 2018.2 Despite its high volatility, residues of methyl bromide can persist in foods such as nuts and seeds. Therefore, quantitative methods for determining these residues are important. Gas chromatography (GC) is commonly used for analysis, either directly with headspace sampling, or with sample pretreatment methods including solvent extraction and solid phase microextraction. Various detectors are used with GC, such as the flame ionization detector, electron capture detector, and electron ionization. Detection can also be performed by mass spectrometer, using an electron ionization (EI) source. The maximum residue limit for methyl bromide in the EU is 10&nbsp;ng/g, according to EU Regulation number 396/2005.&nbsp;</p><p>In this application note, an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1-10&amp;search=8697+headspace+"><strong>Agilent 8697 headspace sampler</strong></a> was used for sample introduction to an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1-10&amp;search=8890"><strong>Agilent 8890 GC system</strong></a> coupled with an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7010"><strong>Agilent 7010 triple quadrupole GC/MS</strong></a> for quantification of methyl bromide residues.</p><h4><strong>Results and discussion&nbsp;</strong></h4><h5><strong>Calibration&nbsp;</strong></h5><p>Figures 1 through 3 show the linearity of the methyl bromide calibration curve in rice, cumin powder, and red chili powder, respectively. The R2 obtained was above 0.998.&nbsp;</p><h5><strong>Repeatability&nbsp;</strong></h5><p>The repeatability of this method was demonstrated by injecting six replicates of rice, cumin, and red chili powder spiked with 10 ng/g of methyl bromide. The area %RSD and retention time %RSD results are shown in Table 3.&nbsp;</p><h5><strong>Recovery&nbsp;</strong></h5><p>Methyl bromide was spiked in samples of rice, cumin, and red chili powder at concentration levels of 10 ng/g. Acceptable recoveries were obtained by quantification through prespike matrix-based calibration. Results are highlighted in Table 4.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>An accurate and rugged method was developed which meets the requirements of the EURL for the maximum residue limit of methyl bromide in foodstuffs. This ranges from 10 to 100 ng/g, depending on the commodity (Reg. (EC) number 396/2005) for the analysis of pesticides in rice, cumin powder, and red chili powder. The LOQ of the method was demonstrated at 5 ng/g for all tested matrices. Repeatable results were found for six successive replicates of matrix‑based standards at 10 ng/g concentration levels. Sufficient recoveries were obtained in all tested matrices at 10 ng/g spiked concentration levels. Thus, this study demonstrates the applicability of this method for routine analysis of food samples for methyl bromide at trace levels.</p><h3><strong>2. EST Analytical: Effect of Split Ratio on USEPA Method 8260 Compounds</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Purge_and_Trap_Effect_Split_Ratio_on_USEPA_8260_Compounds_2b7339c7c7.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Injection size on a GC column is dictated by the diameter of the GC column. Packed columns are usually shorter in length and larger in diameter and are usually filled with a packing coated with stationary phase. Due to their large diameter, packed columns can handle much larger injections. However, since packed columns are shorter in length, compound resolution is more difficult. Capillary columns, on the other hand, are much longer with much smaller diameters. A capillary column has a stationary phase that is coated onto the column wall which in turn makes the diameter even smaller. Overloading is a common problem with capillary columns, thus smaller injections and higher dilutions are required when using a capillary column.&nbsp;</p><p>The benefit of a capillary column is that it has substantially more theoretical plates than a packed column. Increasing the number of theoretical plates enhances column efficiency because peaks are narrowed and peak resolution is improved. The disadvantage of the capillary column is column overloading. This is where a split injection is greatly beneficial. A split injection can limit sample overload while taking advantage of the efficiency of the capillary column.&nbsp;</p><h4><strong>Discussion:&nbsp;</strong></h4><p>Purge and trap sampling is the method used for purging volatile compounds out of a water matrix for USEPA Method 8260. Due to the large number of analytes and the lower detection limits required in this method, a capillary column is needed for detection and separation. Split injections provide a method to control moisture from the purge and trap sampling while preventing column overloading with the capillary column. However, due to the detection limits required of the method, if the split injection is too large, the detection limits of the method may not be met. On the other hand, if the split injection is too small, there can be moisture problems with the mass spectrometer. This application will provide a comparison of several different split rates and their effect on compound detection for USEPA Method 8260.</p><h4><strong>Experimental:&nbsp;</strong></h4><p>The sampling system used for this study was the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2160"><strong>EST Analytical Evolution concentrator</strong></a> and the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2159"><strong>Centurion WS autosampler</strong></a>. The concentrator was affixed with a Vocarb 3000 trap and connected to an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1-10&amp;search=7890A"><strong>Agilent 7890A GC</strong></a> and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1-10&amp;search=5975C"><strong>5975C </strong></a>inert XL MS. The GC was configured with a Restek Rxi-624 Sil MS 30m x 0.25mm x 1.4µm column. Three different split ratios were used for this study. Refer to Table 1 for the sampling method parameters and Table 2 for GC/MS parameters.</p><h4><strong>Conclusions:&nbsp;</strong></h4><p>As USEPA Methods require lower and lower detection limits, split ratios will play a large factor in reaching these new requirements. This study demonstrated that all three split ratios met USEPA Method 8260 requirements for linearity, compound response and method detection limits. However, there was a remarkable difference in compound detection limits as the split ratio was increased. The 40 to 1 split rate had much lower detection limits due to an increase in compound response. The Encon Evolution purge and trap concentrator has a unique feature for moisture control using an eight port valve to avoid desorbing through the moisture trap. This feature enables better moisture control when using a lower split rate, thus using a larger split rate to control moisture is unnecessary.</p><h3><strong>3. Shimadzu / AOAC: Simultaneous analysis of residual contaminants in drinking water using Programmed Temperature Vaporization (PTV) for Large Volume Injection (LVI) and GC-MS/MS</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/aoac_2025_w016_04bda0b617.pdf"><strong>Full PDF for download</strong></a></li></ul><p>This study aimed to develop a single analytical method for the simultaneous analysis of over 60 residual contaminants, including Poly-Aromatic Hydrocarbons (PAH), Poly-Chlorinated Biphenyls (PCB), and pesticides, in drinking water. Traditionally, multiple methods are being employed for analyzing these contaminants. Most common ones include, extraction using solvents in large separating funnel or SPE cartridge followed by volume concentration by evaporation. These methods require huge sample and solvent quantities. Due to these factors like large sample size handling, concentration steps etc., method may show poor reproducibility.&nbsp;</p><p>By utilizing Programmed Temperature Vaporization (PTV) for Large Volume Injection (LVI), the method significantly reduces the initial sample amount required for preparation, pre-treatment steps, and solvent consumption compared to conventional approaches, while eliminating the need for final sample concentration. The optimized procedure achieved limits of quantification (LOQs) as low as 0.005 ppb and 0.05 ppb, demonstrating high sensitivity without compromising efficiency. Validation parameters like specificity, linearity, recovery and precision were studied as per SANTE guidelines[1] . For linearity and recovery study, matrix match calibration was used.</p><h4><strong>Materials and methods&nbsp;</strong></h4><p>For this study, reference standard mixtures of over 60 contaminants regulated in drinking water were procured from Restek® Corporation. It included PAH, PCB and GC amenable pesticides. Drinking water sample was extracted and used to prepare matrix-matched calibration standards and spiked samples. This method was validated for criteria mentioned in SANTE Guidelines. <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-TQ8040+NX"><strong>GCMS-TQ8040 NX</strong></a> (Figure 2), manufactured by Shimadzu Corporation Japan, was used to quantify residual contaminants in drinking water sample.</p><h4><strong>Conclusion</strong></h4><ul><li>This study shows that the extraction of reduced sample quantity combined with LVI of 50 <span>μ</span>L on GC-MS/MS system is a reliable and efficient tool to simultaneously quantify residual contaminants like PAH, PCB and pesticides in drinking water sample.</li><li>Also, highly sensitive Shimadzu GC-MS/MS allows trace level detection even without the need of evaporating &amp; concentrating the sample. This helps in ruggedness resulting in reproducible detection of analytes.</li><li>The combination of sensitive instrument and reproducible extraction method enables its use in testing laboratories for residual contaminants analysis in drinking water.</li></ul><h3><strong>4. Thermo Fisher Scientific: Automated liquid-liquid extraction workflow for direct ultra-trace analysis of pesticides and PAHs in water matrices using GC-MS/MS</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_003943_gc_autosampler_triplus_rsh_smart_environmental_an003943_na_en_b9980f4e3e.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Ensuring high standards of water quality is a fundamental priority within the European Union. This is highlighted through stringent EU regulations, such as the Water Framework Directive and the Drinking Water Directive,1 where protection of the environment and safeguarding public health are of utmost importance. As such, regular monitoring of both surface and drinking water for hazardous semi-volatile organic compounds, such as polyaromatic hydrocarbons (PAHs) and pesticides, is needed.1,2&nbsp;</p><p>To meet regulatory compliance, laboratories are required to reach ultra-trace levels (i.e., parts per-trillion (ng/L)), while maintaining analytical method performance criteria outlined under EU Directive 2020/2184.3 To reach required concentration limits, laboratories typically need to extract large sample volumes using solvent (i.e., liquid-liquid) or sorbent-based (i.e., solid-phase) extraction techniques with additional preconcentration.</p><p>Such techniques involve manual operations, which are costly in terms of consumables and time. However, automated sample preparation and extraction can reduce such costs while helping to eliminate systematic errors to improve data quality and lab efficiency.&nbsp;</p><p>The aim of this work was to evaluate the sensitivity, precision, and robustness of the TriPlus RSH SMART autosampler in performing automated liquid-liquid extraction and on-line analysis of polyaromatic hydrocarbons (PAHs) and pesticides in drinking and surface water using triple quadrupole GC-MS/MS. This study will demonstrate that the developed automated workflow is compliant with EU regulation criteria and greatly increases laboratory productivity by reducing laboratory costs and time.</p><h4><strong>Experimental</strong></h4><h5><strong>Instrument and method setup&nbsp;</strong></h5><p>A <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/486"><strong>Thermo Scientific™ TRACE™ 1610 GC </strong></a>equipped with a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1744"><strong>Thermo Scientific™ TraceGOLD™ TG5-SilMS</strong></a> (30 m × 0.25 mm I.D. × 0.25 µm film) capillary column with a 5 m integrated SafeGuard retention gap (P/N 26096-1425) was used to perform the chromatographic separation. The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/422"><strong>TriPlus RSH SMART autosampler</strong></a> was configured to perform automated sample preparation, liquid-liquid extraction, and on-line injection for GC-MS/MS analysis. The automated workflow was designed using the Thermo Scientific™ TriPlus™ RSH Sampling Workflow Editor Software (P/N 1R77010-1200) and imported into the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/76"><strong>Thermo Scientific™ Chromeleon™ 7.3.2 Chromatography Data System (CDS) software</strong></a>. This integration allows sample preparation, acquisition, and data processing to be carried out within a single software. The automated workflow involved the following steps: internal standard addition, extraction solvent addition (pentane) and vortexing for extraction, addition of solvent for emulsion removal (isopropyl alcohol), addition of syringe standard prior to analysis, and large volume injection into the GC-MS. Parameter settings for the automated workflow are outlined in Table 1 with a visual overview provided in Figure 1. A list of accessories needed to configure the TriPlus RSH SMART autosampler is provided in the appendix (Table A2).&nbsp;</p><p>After sample extraction was completed, a 30 μL aliquot of the pentane layer was directly injected into a programmable temperature vaporization (PTV) inlet. Injection and oven program conditions can be found described in Tables 1 and 2. Data acquisition was carried out using selected reaction monitoring (SRM) with a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/485"><strong>Thermo Scientific™ TSQ™ 9610 triple quadrupole GC-MS</strong></a> equipped with an Advanced Electron Ionization (AEI) source. Method parameters for data acquisition are summarized in Table 2 with optimized SRM transitions outlined in the appendix (Table A3).</p><h4><strong>Conclusions&nbsp;</strong></h4><p>Maintaining water quality is of both human and environmental health importance. However, due to the physical chemical properties of various organic substances, analytical methods require ultra-trace sensitivity and accuracy to quantify hazardous risks within both drinking and environmental surface waters. The results presented demonstrate that the developed automated workflow for online liquid-liquid extraction and analysis of water samples can meet these requirements:&nbsp;</p><ul><li>Ultra-trace sensitivity combining large volume injection with highly sensitive triple quadrupole GC-MS/MS, with over 70% of targeted analytes having limits of quantification below 2 ng/L&nbsp;</li><li>Compliant extraction recovery at part per trillion concentrations&nbsp;</li><li>Robust method precision over extended analysis time&nbsp;</li><li>Improved laboratory efficiency and productivity while reducing environmental impact with limited solvent consumption&nbsp;</li><li>Workflow customization capability through the Sampling Workflow Editor software</li></ul>

News from LabRulezGCMS Library - Week 45, 2025

<p><strong>In the week of November 10, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.</strong></p><blockquote><h4><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></h4><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>5 000 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><div><div><div><div><div><div><h5><strong>1. Wasson-ECE Instrumentation: Calibration Techniques for Accurate Data</strong></h5><ul><li>Tu, 11.11.2025 09:30 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5526">Registration</a></li></ul><p>Learn best practices for GC calibration, including multi-point curve generation, standard preparation, and maintaining data integrity for precise analytical results.</p><h5><strong>2. Metrohm: Through-Container Raman for Chemicals, Raw Materials, and Field Response</strong></h5><ul><li>Th, 13.11.2025 15:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5665">Registration</a></li></ul><p>Discover how through-container Raman spectroscopy identifies chemicals directly through opaque containers, improving safety, compliance, and workflow efficiency.</p></div></div></div></div></div></div>

Webinars LabRulezGCMS Week 46/2025

Molecular Sensory Analysis Confirms Wood Smoke Exposure as a Source of Smoky Off-Flavors in Fermented Cocoa

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