<p><strong>In the week from March 31, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.</strong></p><blockquote><p><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></p><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>4 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Phenomenex: SPE Sorbent Quest: Discovering the Ideal Solution</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Tuesday, April 1, 2025, 18:00 CEST</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4917">Registration</a></li></ul><p>Learn how to select the ideal SPE sorbent based on your analytes and impurities.</p><h5><strong>2. Shimadzu Corporation: Monitoring PFAS in Drinking Water with Point of Use Filtration Devices: Trusted Tap</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Thursday, April 3, 2025, 20:00 CEST</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4838">Registration</a></li></ul><p>This webinar will be about using commercially available point-of-use (POU) filters as passive monitoring devices.</p><h5><strong>3. Thermo Fisher Scientific: Transforming Hydrocarbon Analysis with GC-VUV Technology</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Tuesday, April 8, 2025, 18:00 CEST</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4933">Registration</a></li></ul><p>Join us for an insightful webinar to discover how Vacuum Ultraviolet (VUV) technology is transforming GC analysis of complex mixtures, delivering significant benefits to your laboratory operations.</p><h5><strong>4. Thermo Fisher Scientific: Analytical challenges and the effective management of nitrosamines: The evolving landscape of NDSRI analysis</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Wednesday, April 9, 2025, 08:00 CEST</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4864">Registration</a></li></ul><p>In this online seminar we will present and discuss nitrite in excipients, nitrite and NDSRI analysis methods and challenges, NDSRI risk assessment, and a comprehensive and industry-accessible NDSRI database.</p>

Webinars LabRulezGCMS Week 14-15/2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 31th March 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 </strong>and<strong> Shimadzu </strong>and<strong> poster </strong>by<strong> GC Image / MDCW!</strong></p><h3><strong>1. Agilent Technologies: Navigating Global Microplastics Regulations in Drinking Water with Vibrational Spectroscopy</strong></h3><p><strong>Ensuring accurate and reliable microplastics characterization with the 8700 LDIR</strong></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/wp_microplastics_drinking_water_regulations_8700_ldir_5994_8166en_agilent_ea9c07e61c.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Access to clean and safe drinking water is a fundamental human right and a critical public health priority. With growing concerns about environmental pollution, emerging contaminants such as microplastics have become a major focus for regulatory bodies worldwide. Microplastic particles, originating from sources such as industrial waste, packaging, and everyday consumer products, have been detected in diverse water sources, raising concerns about both their potential health risks and environmental impact.</p><p>The accurate and reliable characterization of microplastics presents significant analytical challenges due to the diversity in size, shape, and composition of these materials. Particles range from less than 20 µm to visible fragments and can exist in various forms including spheres, fibers, and irregular shapes. Microplastics are typically composed of various types of polymer, each with distinct physical and chemical properties and unique degradation histories. Because of this complexity, analyzing microplastics requires advanced analytical techniques.&nbsp;</p><p>To address these challenges, regulatory bodies and standardization organizations have actively been developing guidelines and testing methods to monitor and control microplastics contamination in drinking water. The analytical techniques used to characterize microplastics are critical in achieving accurate and reliable outcomes when studying the impact of this emerging class of contaminant. The primary techniques used to analyze microplastics fall into two categories:&nbsp;</p><ul><li><strong>Thermo-analytical methods</strong> such as thermal extraction desorption gas chromatography-mass spectrometry (TED-GC/MS) and pyrolysis-GC/MS, which provide information about polymer type and mass1&nbsp;</li><li><strong>Vibrational spectroscopy methods</strong> including Fourier transform infrared (FTIR) spectroscopy and Raman spectroscopy, which provide information about polymer type, number of particles, and size</li></ul><p>There has been an ongoing effort for several years to standardize methods for microplastic analysis using vibrational spectroscopy. These standard methods provide structured approaches that help to ensure consistent, accurate, and reproducible microplastics analysis across different laboratories and regulatory environments.&nbsp;</p><p>Three such regulatory frameworks have been established by the following bodies:&nbsp;</p><ul><li><strong>Commission Delegated Decision (EU) 2024/1441</strong>: Supplementing Directive (EU) 2020/2184 of the European Parliament and of the Council by laying down a methodology to measure microplastics in water intended for human consumption.2</li><li><strong>California Water Boards</strong>: Policy handbook establishing a standard method of testing and reporting of microplastics in drinking water, August 9, 2022.3 The policy handbook was developed in response to State of California legislation (SB1422) requiring monitoring for microplastics. As noted in the introductory text, the method is designed to "[set] forth the requirements for conducting monitoring and reporting of microplastics in drinking water." Attachment C to that document (SWB-MP1-rev1) is a Standard Operating Procedure that describes the method as relevant to IR techniques.4&nbsp;</li><li><strong>ISO/DIS 16094-2: </strong>Water Quality — Analysis of Microplastic in Water, Part 2: Vibrational spectroscopy methods for waters with low content of suspended solids including drinking water (under development).5&nbsp;</li></ul><p>ASTM WK87463 (New Test Method for Spectroscopic Identification and Quantification of Microplastic Particles in Water Using Infrared (IR) Spectroscopy) is also under development. As this method has not yet been published, it is not covered by this white paper.6</p><h4><strong>Requirements of regulatory methods</strong></h4><h5><strong>Minimum and maximum particle size&nbsp;</strong></h5><p>It is necessary to check the accuracy of any particle-sizing data generated by the analytical method used for the analysis of microplastics. The three regulatory frameworks summarized in Table 1 specify a minimum detectable particle size of 10 to 20 µm using IR spectroscopy.&nbsp;</p><p>To demonstrate the performance of the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?manufacturerItems=1&amp;search=8700+LDIR&amp;sources=GCMS_EN-ICPMS_EN"><strong>8700 LDIR</strong></a>, 10, 20, and 50 µm NIST-traceable polystyrene latex beads were measured on a low-e slide. As shown in Figure 5, particles were detected using the automated Particle Analysis workflow within the Clarity software. The method also correctly identified the type of particles, with a hit quality index (HQI) of &gt; 0.95, demonstrating the characterization capabilities of LDIR for particles as small as 10 µm. Additional details on particle sizing using gold- and aluminum-coated filters are available in other publications.8,9</p><p>As stated in Table 1, the maximum required measurement size across the three regulatory frameworks is 5 mm for particles and 15 mm for fibers per EU 2024/1441. While LDIR analyzes particles up to 500 µm, larger particles can be detected visually and measured using an Agilent <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?manufacturerItems=1&amp;sources=GCMS_EN-ICPMS_EN&amp;search=Cary+630+FTIR"><strong>Cary 630 FTIR</strong></a> spectrometer fitted with a diamond attenuated total reflectance (ATR) module (Figure 6). A fast and simple method for identifying plastic debris in this size range is reported elsewhere.10</p><h4><strong>Conclusion&nbsp;</strong></h4><p>Microplastics are widespread in the environment, exhibiting significant variation in size, shape, color, and composition, which complicates their analysis. To address these challenges, current regulatory frameworks and emerging analytical methods offer flexibility in sampling equipment, instrumentation, and data analysis techniques, provided they meet the required analytical standards. The aim of the standardized methods is to improve the accuracy and comparability of microplastic assessments. In addition to thermo-analytical methods and vibrational spectroscopy techniques such as μ-FTIR and μ-Raman, quantum cascade laser-based IR technology has proven to be a suitable technique for microplastic analysis. This white paper demonstrates how an Agilent 8700 LDIR chemical imaging system combined with Agilent Clarity software meets the requirements of the three global regulatory frameworks, enabling accurate microplastics characterization. The laser-based system offers a fully automated workflow for the direct filter-based analysis of microplastics, resulting in significant time savings and higher sample throughput compared to conventional vibrational spectroscopy techniques.</p><h3><strong>2. Shimadzu: Analysis of Neutral PFAS in Ambient Air Using Thermal Desorption GC-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_00865_en_8dcbc95687.pdf"><strong>Full PDF for download</strong></a></li></ul><p><strong>User Benefits:</strong></p><ul><li>A thermal desorptionGC-MS system can accurately measure quantities of volatile and semivolatile per- and polyfluoroalkyl<br>substances (PFAS) in ambient air.</li><li>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=TD-30R+thermal+desorption+system"><strong>TD-30R thermal desorption system</strong></a> can perform high-throughput analysis as it does not require solvent extraction</li></ul><p>Because of the excellent heat-resistance and water-repelling properties of per- and polyfluoroalkyl substances (PFAS), they are used in many consumable products and industrial applications. However, their resistance to degradation and concerns over their persistence in the environment and toxicity to organisms mean they are increasingly regulated throughout the world. As one of the pollution routes of PFAS, the atmospheric dispersion of PFAS exhaust gas emitted from factories using PFAS is a concern. Therefore, monitoring studies have been conducted considering the risk of long-term exposure of PFAS to the respiratory system and the spread of PFAS pollution from atmosphericdispersion of PFAS.&nbsp;</p><p>Because of the tightening of PFAS regulations, analytical methods are being developed for a variety of matrices, including water, soil, and food. While most of these methods target non-volatile (ionic) PFAS and use a liquid chromatograph-mass spectrometer (LC-MS/MS), volatile or semivolatile neutral PFAS are not easily measured by these methods, so a gas chromatograph-mass spectrometer (GC-MS) is suitable forthose compounds.&nbsp;</p><p>In this Application News, the TD-30R thermal desorption system coupled to a GC-MS system (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=GCMS-QP2020+NX"><strong>GCMS-QP2020 NX</strong></a>) measured the quantities of nine volatile and semivolatile neutral PFAS (Table 1) in ambient air.</p><h4><strong>Spike-and-Recovery Test with Ambient Air&nbsp;</strong></h4><p>Standard solutions were prepared containing 10 ng of four FTOHs and 1 ng of three FTACs and two FOSAs and these standard solutions were added to the Tenax TA/Carboxen 1000 sample tubes. 20 L of ambient air was also collected at 100 mL/min. Spike-and-recovery test and repeatability results are shown in Table 5 and SIM chromatograms are shown in Fig. 3. The recovery rates were between 77 and 106 % and all concentration %RSD (n = 3) were below 8, showing generally good performance.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>The TD-30R and GCMS-QP2020 NX were used to measure quantities of nine neutral PFAS in ambient air. The measurements of standards demonstrated favorable results for sensitivity, calibration curve linearity, and repeatability for all the targeted compounds. A spike-and-recovery test with ambient air also demonstrated favorable results for recovery and repeatability. Using the TD-30R during sample pretreatment allows the sampling tube to be analyzed directly without a solvent extraction, enabling high-throughput analysis.</p><h3><strong>3. GC Image / MDCW: Interactive Ion Peak Analysis and Differencing for Comparing Multidimensional Chromatography Data</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/GC_Image_MDCW_2025_Poster_0ffa92f068.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Comprehensive two-dimensional chromatography offers superior separation capabilities for complex mixtures, but the resulting data complexity necessitates advanced comparative analysis methods. A common scenario involves comparing two samples to identify similarities and differences. We demonstrate our methods through two applications including performing new peak detection (NPD) [1] for LC-MS data of peptide samples, and identifying and comparing common and unique compounds from pairs of GCxGC-MS chromatograms.</p><h4><strong>Approach 2: Ion Peak Matching&nbsp;</strong></h4><ul><li>Find bidirectional matching between detections in both chromatograms&nbsp;</li><li>Matching criteria: matched apex within RT tolerance, matching detection ion m/z or spectral match of &gt;750&nbsp;</li></ul><h5><strong>Data Set&nbsp;</strong></h5><ul><li>GCxGC-TOFMS public data set of different dark chocolates [5]. Mint-Lime and Orange flavors are used for this demonstration. The figures presented all have MintLime on the left and Orange on the right.&nbsp;</li><li>JEOL <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=24&amp;search=AccuTof+GC"><strong>AccuTof GC</strong></a>+ mass spectrometer with an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=7890+GC"><strong>7890 GC</strong></a></li></ul><h5><strong>Unique Peaks Filter</strong></h5><p>Significant unique ion peaks are shown using filters:</p><ul><li>‘Unmatched’ status</li><li>SNR &gt; 150</li></ul><h5><strong>Common Peaks Filter&nbsp;</strong></h5><p>Common ion peaks are shown are shown with the ‘In Both’ filter. The figure to the left shows common peaks that have a significant response difference. Filtering was done using &gt; +200% change and &lt; -50% change.&nbsp;</p><h5><strong>Peak Comparison</strong>&nbsp;</h5><p>Common compounds are matched and allow comparison between the images. The compound response values, properties, and spectra can be viewed for both samples. Unique compounds are viewed and identified, with the SIC view used to analyze the alternate chromatogram at the RT location and ion ranges.<br>&nbsp;</p>

News from LabRulezGCMS Library - Week 14, 2025

Injection artifacts in odorant analysis by gas chromatography

<p><strong>In the week from April 7, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.</strong></p><blockquote><p><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></p><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>4 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Thermo Fisher Scientific: Transforming Hydrocarbon Analysis with GC-VUV Technology</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Tuesday, April 8, 2025, 18:00 CEST</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4933">Registration</a></li></ul><p>Join us for an insightful webinar to discover how Vacuum Ultraviolet (VUV) technology is transforming GC analysis of complex mixtures, delivering significant benefits to your laboratory operations.</p><h5><strong>2. Agilent Technologies: Convert Your Deconvoluted AMDIS Libraries to *.L or Editable *.mslibrary.xml Formats to Use in MassHunter Library Searches</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Tuesday, April 8, 2025, 20:00 CEST</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4957">Registration</a></li></ul><p>Join this webinar and learn a step-by-step process to convert an AMDIS library to *.L and or *.mslibrary.xml formats and how to create a deconvoluted library from MassHunter Unknowns Analysis.</p><h5><strong>3. Thermo Fisher Scientific: Analytical challenges and the effective management of nitrosamines: The evolving landscape of NDSRI analysis</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Wednesday, April 9, 2025, 08:00 CEST</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4864">Registration</a></li></ul><p>In this online seminar we will present and discuss nitrite in excipients, nitrite and NDSRI analysis methods and challenges, NDSRI risk assessment, and a comprehensive and industry-accessible NDSRI database.</p><h5><strong>4. Agilent Technologies: A Look at the New MassHunter 13 Interface</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Thursday, April 10, 2025, 20:00 CEST</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4958">Registration</a></li></ul><p>Join this webinar and learn what project-based organization is and the features located in the new interface (including Optimizer and RTL).</p>

Webinars LabRulezGCMS Week 15/2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 7th April 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 brochures by <strong>Agilent Technologies, Shimadzu, </strong>application note by<strong> Thermo Fisher Scientific </strong>and poster by<strong> University of Liège / MDCW!</strong></p><h3><strong>1. Agilent Technologies: Ensure Composition, Purity, and Calorific Value</strong></h3><p><strong>Agilent natural gas analyzers</strong></p><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/br_nga_gc_analyzer_5994_8260en_agilent_1_6070086f28.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>Produce Accurate, Reliable Data and Maximize Product Quality</strong></h4><p>Before it can be sold, natural gas must meet specifications for calorific value and purity. Accordingly, collection, processing, transmitting, and distribution require an array of analytical capabilities.</p><h5><strong>Confidently measure permanent gases and hydrocarbon content with Agilent natural gas analyzers&nbsp;</strong></h5><p>Agilent natural gas analyzers (NGAs) are based on <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8890+GC"><strong>Agilent 8890 GC</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=990+micro+GC"><strong>990 Micro GC systems</strong></a>. Each is factory configured and chemically tested to deliver the results you need, fast, while saving you precious startup time.&nbsp;</p><p>Choose from standard or extended configurations, or for a solution for sour natural gas. Our ability to create custom analyzers, along with specialty hardware and modifications, allows you to customize a natural gas analyzer for your specific needs.</p><h4><strong>Agilent 8890 fast GC&nbsp;</strong></h4><h5><strong>Precisely analyze natural gas&nbsp;</strong></h5><p>Separating complex mixtures of hydrocarbons and permanent gases (oxygen, nitrogen, and carbon dioxide) can be difficult on a single-channel GC. The Agilent 8890 natural gas analyzer is configured for one or two channels and conforms to ASTM D1945, GPA 2261, and GPA 2286 methods.&nbsp;</p><ul><li>A second thermal conductivity detector (TCD) channel improves hydrogen detection and linearity.&nbsp;</li><li>Optional flame ionization detector (FID) enables low-level hydrocarbon analysis.&nbsp;</li><li>Customized reporting simplifies data review and processing. OpenLab CDS reporting provides calculations in mole, weight, or volume percentages, and calculated heat content. It also offers the calorific value add-on.</li></ul><h4><strong>Agilent 990 Micro GC&nbsp;</strong></h4><h5><strong>Precision results in seconds&nbsp;</strong></h5><p>Agilent 990 Micro GC natural gas analyzers cover key GPA, ISO, and GB/T methods, and they provide accurate compositional data and calculated physical properties. Their small size and mobility make them ideal for labs, pilot plants, and field work—delivering the information you need anytime, anywhere.&nbsp;</p><ul><li>Ready-to-go configuration and methods include proven hardware and software.&nbsp;</li><li>Reporting is based on standardized GPA, ISO, and GB/T calculation methods.</li><li>Options include sample pressure reduction, filtering, and automated stream selection valves.&nbsp;</li><li>Natural gas odorant monitoring is available in an optional extra channel.&nbsp;</li></ul><p>Additionally, the Agilent 990 Micro GC PRO is designed for online process environments and features onboard data collection, integration, and result generation.&nbsp;</p><ul><li>Control processes by directing automatic user-defined information to an external system.&nbsp;</li><li>Eliminate the need for an external computer by using our onboard setup feature.&nbsp;</li><li>Meet industry standards with confidence through various communication protocols, such as Modbus, FTP, and 4-20 mA.&nbsp;</li><li>Enable online monitoring of calorific value and odorants (such as THT or DMS).&nbsp;</li><li>Deliver quick analysis of dissolved gases in mud-logging during drilling operations that need to be constantly monitored.</li></ul><h4><strong>Agilent </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=GC+gasifier+"><strong>GC gasifier&nbsp;</strong></a></h4><h5><strong>Reliably introduce liquefied gas into your GC&nbsp;</strong></h5><p>The Agilent GC gasifier accessory safely controls the transition of liquefied gas to a gaseous state without discrimination or adsorption due to its inert flow path. So you can feel confident that the sample in the line is the sample being analyzed.</p><ul><li>Samples are delivered to the GC system under constant flow and pressure.&nbsp;</li><li>Control and monitor the gasifier with ease through the GC user interface.&nbsp;</li><li>Seamlessly switch between two samples—or one sample plus a calibration standard or purge gas.&nbsp;</li><li>Purge N2 gas without the need to disconnect samples</li></ul><h4><strong>Capture, analyze, and share data: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=OpenLab+CDS"><strong>OpenLab CDS</strong></a><strong> works the way you do&nbsp;</strong></h4><p>OpenLab CDS is a chromatography data system that combines productivity, usability, and the highest level of data integrity. With a single user interface, you can control your Agilent LC, GC, Micro GC, single quadrupole LC/MS, and GC/MS, as well as other vendors’ instruments in the lab, to streamline training and support. Built-in tools provide time-saving steps in analysis, interpretation, and reporting workflows while technical controls ensure work quality, effective records management, and enhanced data security.&nbsp;</p><p>Reporting for natural gas analyzers (as with refinery gas analyzers) can be done through OpenLab CDS with the built-in NGA/RGA reporting tool or through Diablo Analytical, which can take data from OpenLab CDS, ChemStation or EZChrom.&nbsp;</p><p>The OpenLab reporting feature for NGA lets you generate a custom calculation file, a constants file, and a report template for conditions defined in GPA, ASTM, or ISO standards. FPS (foot-pound-second)- based calculations (Btu) are used by GPA, ASTM, and other organizations in the United States. Metric-based calculations (meter-kilogram-second) are used for reporting natural gas composition and physical property calculations according to ISO 6976 for EU and GB/T 11062 for China.&nbsp;</p><p><strong>Note: </strong>Optionally the 990 Micro GC can be equipped with a PRO license. In this process-mode, which is usually highly automated and unattended, the instrument communicates compositional analysis results and calculated physical property data directly to a remote process computer. All data is handled on board (via browser-based access), and this does not require OpenLab CDS.</p><h3><strong>2. University of Liège / MDCW: Identification of Antifungal Volatile Organic Compounds (Vocs) from Streptomyces Scabiei 87-22 Using GC×GC-TOF-MS</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Poster_Djulia_Bensaada_workshop_a1731538ea.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Plant pathogens harm food production and the economy, while synthetic fungicides pose health and environmental risks, emphasizing the need for new alternatives.<sup>1 </sup>Streptomyces scabiei 87-22 shows promises by producing antifungal volatile organic compounds (VOCs). This study seeks to identify the VOCs responsible for their antifungal effects, with the aim to open the door to developing environmentally friendly biofungicides.<sup>2</sup>&nbsp;</p><h4><strong>Study inception</strong></h4><ul><li>In vitro experiments were conducted on Alternaria solani, Gibberella zeae, and Penicillium sp. NS1 to assess antifungal activity</li><li>Different growth conditions of Streptomyces scabiei 87-22 were evaluated</li><li>using five culture media: MHB, LB, TSB, ISP2, and ISP6&nbsp;</li></ul><h4><strong>Results and discussion</strong></h4><ul><li>20 Antifungal VOCs were identified in the different samples</li><li>VOCs production depend on the culture media</li><li>Some VOCs are inherent to the culture media</li><li>Non targeted approach is needed&nbsp;</li></ul><h4><strong>Conclusion and perspectives</strong></h4><p>Out of 25 identified VOCs, 4 demonstrated antifungal activity in vitro, highlighting their potential as antifungal agents. Conduct antifungal tests on the remaining 19 VOCs to fully evaluate their potential. Extend the study to a broader range of bacterial strains to assess their antimicrobial spectrum.</p><h3><strong>3. Shimadzu: Gas Chromatography Detector VGA-100 / VGA-101</strong></h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/c180_e102_01f0ccb1eb.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>Meet the alternative with a vacuum ultraviolet (VUV) detector for Gas Chromatography</strong></h4><p>The VUV (Vacuum Ultraviolet) detector is designed to collect absorption spectrum of compounds eluted from GC in the wavelength range of 120 nm to 240 nm (vacuum ultraviolet region). It consists of a deuterium lamp, ¬ow cell, grating device and detection device. Hydrocarbons, such as fuels, have strong absorption in the range of 115 nm to 185 nm (due to σ→σ* and π→→π* transitions), making the VUV detector an ideal choice for fuel analysis.&nbsp;</p><p>The VUV wavelength region is typically characterized by signi cant background absorption. Traditionally, very high-energy photons generated by a synchrotron facilities were used to obtain VUV spectrum. The VGA-100/101 VUV detector minimizes background absorption to an exceptional degree, enabling easy acquisition of VUV spectrum.</p><h4><strong>Gas Chromatography detection in a whole new light</strong></h4><h5><strong>VUV analysis system offers…</strong></h5><ul><li><strong>Identification performance specialized for fuel analysis</strong><ul><li>Full spectrum detection in the vacuum ultraviolet (VUV) wavelength region enhances identi cation performance of various hydrocarbon compounds.</li><li>Excellent oven performance of the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=nexis+gc-2030"><strong>Nexis GC-2030</strong></a> improves identi cation performance with retention index.</li></ul></li><li><strong>Full compliance with ASTM official standards</strong><ul><li>A multi-method architecture that allows testing of different fuels and methods on the same analyzer without changing hardware.</li><li>Dedicated spectral libraries for various ASTM of cial methods</li></ul></li><li><strong>Enhanced analysis support functions</strong><ul><li>Time Interval Deconvolution™ (TID™) to easily deconvolve co-eluting analytes.</li><li>Push-button, automated data analysis and reporting using VUV Analyze™ Software.</li></ul></li></ul><h3><strong>4. Thermo Fisher Scientific: Thermo Scientific Orbitrap GC-MS HRAM Flavor and Fragrances Library</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ps_003097_gc_orbitrap_gc_ms_flavor_fragrances_ps003097_na_en_206f484d12.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Flavors and fragrances analysis aims to give a comprehensive characterization of samples to determine their origin (natural or synthetic), assess their quality, ensure product consistency, and comply with regulatory standards. This analysis is crucial for industries such as food, beverages, cosmetics, and perfumery to develop and maintain consistent product formulations and control. With such a high number of possible compounds, a library is an essential tool to support compound identification within a fast time frame. The Thermo Scientific™ Orbitrap™ GC-MS<strong> </strong>Flavor and Fragrances Library is a high-resolution, accuratemass (HRAM) spectral library for electron ionization (EI) GC-MS. It contains 411 compounds, which cover over eleven different chemical classes.</p><p>When used in combination with powerful Orbitrap technology and data processing tools such as <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1759"><strong>Thermo Scientific™ Compound Discoverer™ software</strong></a>, accurate flavor and fragrance identification can be quickly achieved. The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/472"><strong>Thermo Scientific™ Orbitrap Exploris™ GC mass spectrometers </strong></a>provide unique advantages for flavor and flagrance analysis over alternative instrumental techniques. Orbitrap technology allows analytical chemists to gain data certainty and achieve unprecedented selectivity using a full-scan acquisition, enabling:&nbsp;</p><ul><li>The targeting of an unlimited number of analytes down to triple quadrupole level detection limits&nbsp;</li><li>Identification of unknowns driven by spectral matching and sub-ppm mass accuracies&nbsp;</li><li>Retrospective screening of compounds not known to be of interest at time of acquisition</li></ul><p>Furthermore, the consistent sub-ppm mass accuracy delivered by the system, regardless of peak intensity, allows for confident targeting of compounds within narrow mass accuracy windows. The Thermo Scientific Orbitrap GC-MS Flavor and Fragrances Library enables a rapid and customizable set-up of a screening method, which allows users to quickly implement this powerful technology. Included in this Library are:&nbsp;</p><ul><li>High-resolution, accurate-mass spectral library acquired at 60,000 mass resolving power (FWHM m/z 200)&nbsp;</li><li>Spectra for 411 flavor compounds across eleven categories refined and curated with elemental composition of each EI fragment verified (Figure 1)&nbsp;</li><li>Compound information list showing chemical categories, odors, rendition index values, and GC column types used&nbsp;</li><li>Kovats retention index entries&nbsp;</li><li>Can be used in combination with existing unit mass libraries.&nbsp;</li></ul><p>The Orbitrap GC-MS Flavor and Fragrances Library can be used to quickly apply the theoretical masses for each analyte into a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/77"><strong>Thermo Scientific™ TraceFinder™ software</strong></a> fullscan screening or quantitation processing method. Also included for each compound is an accurate mass reference spectrum acquired on an Orbitrap GC-MS system at 60,000 resolving power.&nbsp;</p><p>This spectral library can be used as a standalone reference or in conjunction with the unknowns screening functionality of Compound Discoverer software (Figures 2 and 3) or TraceFinder software. Each software utilizes chromatographic deconvolution followed by accurate mass spectral library search to identify untargeted compounds.</p>

News from LabRulezGCMS Library - Week 15, 2025

Comparison of carrier gases for the separation and quantification of mineral oil hydrocarbon (MOH) fractions using online coupled high performance liquid chromatography-gas chromatography-flame ionisation detection

<p><strong>In the week from April 14, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.</strong></p><blockquote><p><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></p><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>4 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Bruker: Conserving knowledge: Non-invasive manuscript analysis by means of micro-XRF and hyperspectral imaging</strong></h5><ul><li>Tuesday, April 15, 2025, 10:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5014">Registration</a></li></ul><p>This webinar explores ink analysis using spatially resolved micro-XRF and recent advances in co-registering NIR transmission to determine ink composition.</p><h5><strong>2. Separation Science: Unlock New Possibilities with the Fully Loaded Brevis GC-2050: Expanded Inlets, New Detectors, Lower Costs</strong></h5><ul><li>Tuesday, April 15, 2025, 11:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4894">Registration</a></li></ul><h5>Join us for an insightful webinar on how the Brevis GC-2050 can transform your lab operations.</h5><h5><strong>3. Restek Corporation: GC Troubleshooting: Tips and Tricks</strong></h5><ul><li>Tuesday, April 15, 2025, 14:30 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4921">Registration</a></li></ul><p>In this troubleshooting session we will discuss the purpose and impact of the critical parts and setup used in split and splitless injection and how they impact your results.</p><h5><strong>4. Agilent Technologies: Create Libraries with Your Data</strong></h5><ul><li>Tuesday, April 15, 2025, 20:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4959">Registration</a></li></ul><p>Join this webinar and learn how to build a personal library using standards or compounds found in a sample.</p><h5><strong>5. GERSTEL: Advantages and Capabilities of the GERSTEL TDU for Sample Extraction and Introduction</strong></h5><ul><li>Tuesday, April 15, 2025, 20:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4922">Registration</a></li></ul><p>This webinar will illustrate the GERSTEL Thermal Desorption Unit, highlighting the hardware components, thermal desorption process, and extraction techniques with examples.</p><h5><strong>6. Agilent Technologies: Evolving Landscape on Control of Excipients Quality in Pharmaceutical Products</strong></h5><ul><li>Wednesday, April 16, 2025, 10:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5049">Registration</a></li></ul><p>Join this webinar to hear IPC and Agilent experts share their views on the role of Pharmacopeias in ensuring the quality of pharmaceutical products and excipients.</p><h5><strong>7. Separation Science: Switching to Hydrogen Carrier Gas: An Analyst’s Guide to GC-MS Method Conversion</strong></h5><ul><li>Wednesday, April 16, 2025, 11:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4877">Registration</a></li></ul><p>In this webinar, join Dr. Andreas Kapaklis and Anika Maier from TESTEX as they share their experiences in implementing hydrogen carrier gas in their thermal desorption (TD)–GC–MS workflow.</p><h5><strong>8. Agilent Technologies: Navigating Nitrosamines – Back to Basics</strong></h5><ul><li>Thursday, April 17, 2025, 19:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4873">Registration</a></li></ul><p>This session will help companies begin their journey with nitrosamines, covering key steps to ensure a sufficient nitrosamines risk assessment.</p><h5><strong>9. Agilent Technologies: Increase Confidence in Your Component Identification and Eliminate Components with Similar Spectra More Efficiently</strong></h5><ul><li>Thursday, April 17, 2025, 20:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4960">Registration</a></li></ul><p>Join this webinar and learn what retention indices (RIs) are, how they are measured, and how RIs can help minimize spectral false positives and misidentification.</p><h5><strong>10. Shimadzu Corporation: Ask Us Anything About the Analysis of PFAS</strong></h5><ul><li>Thursday, April 17, 2025, 20:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4839">Registration</a></li></ul><p>We will host a live panel discussion. Top experts in the field will provide their perspectives and answer your questions about PFAS testing in diverse environmental samples.</p>

Webinars LabRulezGCMS Week 16/2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 14th April 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 poster by<strong> University of Copenhagen / MDCW!</strong></p><h3><strong>1. Agilent Technologies: Purity Analysis of N-Methyl Pyrrolidone (NMP) Using an Agilent 8850 GC</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_purity_analysis_n_methyl_pyrrolidone_8850_gc_5994_8126en_agilent_96dd34f254.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Analysis of organic solvents to determine purity is a ubiquitous laboratory task that is well suited for gas chromatography (GC). Purity testing is an important part of process monitoring and provides key quality metrics for both feedstocks and products, as well as insights into process conditions by monitoring intermediate streams. The highly used solvent NMP is critical in many industries, including semiconductors, coatings and adhesives, and pharmaceuticals. The role of NMP in the manufacturing process of lithium-ion batteries (LiB) is of particular interest.&nbsp;</p><p>Within the LiB market, NMP is analyzed at both gross and residual levels. NMP as a bulk solvent must be screened for impurities that may affect performance in the battery electrodes. High-purity NMP is employed in creating the slurry applied to the LiB electrodes.1 NMP dissolves the polymer binder to apply the slurry to the aluminum foils, resulting in a functional LiB cathode. Once that application is complete, the residual NMP is removed, usually by drying the product. Two quantitation approaches to determine residual NMP on electrodes have been evaluated in recent publications.2,3 To complement the detection of low-level NMP, this work will address the purity of NMP as a starting material.&nbsp;</p><p>NMP is a highly polar, aprotic solvent with a relatively high boiling point of more than 200 °C. The pure solvent has an alkaline pH of approximately 10, and has a low vapor pressure and high flash point, which lend to its success in manufacturing environments. These characteristics also make NMP more challenging than volatile solvents when performing routine solvent purity analysis on GC systems. Solvents with lower volatility and higher viscosity require more frequent maintenance of both the GC inlet and the autosampler to manage carryover and repeatability quality checks.&nbsp;</p><p>The two most common impurities associated with NMP are N-methyl succinimide (NMS) and 2-pyrrolidinone (2PYR), shown in Figure 1. As there are similarities in both structure and properties among the three compounds, a robust purity analysis using an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8850+GC"><strong>8850 GC</strong></a> can be achieved by combining appropriate column selection, GC oven temperature control, and inlet pressure control. While this would be more simply executed if all compounds were present at the same level, the expectation of a solvent purity method is that it can perform well for both the highest and lowest concentration in the mixture.</p><h4><strong>Experimental&nbsp;</strong></h4><p>All data were generated on an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8850+GC"><strong>8850 GC</strong></a> with a split/splitless (S/SL) inlet and flame ionization detector (FID). Samples were introduced to the GC inlet using a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=7650+ALS"><strong>7650 ALS</strong></a>. Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=OpenLab+CDS+software"><strong>OpenLab CDS software</strong></a>, version 2.7, was used for data acquisition and analysis. The GC flow path is shown in Figure 2, and the method conditions are provided in Table 1. NMP samples were sourced from both a commercial vendor and a customer production facility, summarized in Table 2.</p><h4><strong>Results and discussion</strong></h4><p>The separation study evaluated several columns, and the following criteria were considered: void time, peak shape, baseline consistency, and operating temperature range. While NMP, NMS, and 2PYR all have boiling points exceeding 200 °C, they also have favorable vapor pressures to consider higher polarity columns with lower maximum operating temperatures. Single-component standards were prepared at 0.1% (w/v) from neat NMS (≥ 99%) and 2PYR (99%), both from Sigma-Aldrich (Milwaukee, WI, U.S.) to verify compound identification and retention time.&nbsp;</p><p>The evaluated column chemistries included polyethylene-glycol-based columns such as the Agilent DB-WAX Ultra Inert (UI) and Agilent J&amp;W HP-INNOWax, cyanopropyl columns such as the Agilent J&amp;W DB-624 and DB-23, and apolar columns such as the Agilent J&amp;W DB-5. The data were most consistent and comprehensive with a 30 m × 320 µm, 0.5 µm DB-23. Most column selections eventually resulted in an adequate separation under optimized conditions, but the DB-23 was selected because the separation demonstrated less void time, better peak shape for NMS and 2PYR, and lower baseline bleed over time. Although both DB-624 and DB-WAX UI column chemistries are typically used to quantify residual NMP, the injections in this study contained NMP as the primary component of the injection, which impacts the separation. The unidentified impurity that eluted at 18 minutes under the conditions in Table 1 was used as a marker for the end of the GC run, as this compound was highly retained on some columns.&nbsp;</p><h4><strong>Conclusion</strong></h4><p>The Agilent 8850 GC, 7650 ALS, and J&amp;W DB-23 column together deliver exceptional performance for separating common impurities in NMP solvent. With intelligent features such as Sample Overlap and Peak Evaluation, as well as a compact design that conserves lab space, the 8850 GC is essential for high-throughput labs requiring consistency in results. The DB-23 column's excellent separation capabilities, demonstrated through comparative analysis of customer samples, make it ideal for workflows seeking detailed impurity information alongside the overall solvent purity results.</p><h3><strong>2. University of Copenhagen / MDCW: The evaluation of GC×GC-QTOF data by pixel-based analysis: A Tutorial&nbsp;</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/N_Gawlitta_The_Evaluationof_G_Cx_GC_QTOF_Data_By_Pixel_based_Analysis_a_Tutorial_89b4f8ea57.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The identification of unknown sample components has become more important as the release of chemicals into the environment steadily increases leading to a high impact of potentially harmful substances. Comprehensive two-dimensional gas chromatography (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?instrumentationItems=2"><strong>GC×GC</strong></a>) is a powerful tool for non-targeted analysis (NTA) especially when coupled to high resolution mass spectrometry (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?instrumentationItems=2-16-5"><strong>QTOFMS</strong></a>). Bottleneck is the high amount of data and required manual corrections after data processing. Herein, we present a NTA workflow for the evaluation of GC×GC-QTOFMS data of 42 effluent samples from two wastewater treatment plants (WWTPs) in Denmark using pixel-based analysis.</p><h4><strong>METHODS</strong></h4><p>The effluent samples were analyzed after derivatization with MSTFA using GC×GC-QTOFMS. For data analysis, following steps were conducted: Data was binned to nominal mass and the total ion current (TIC) was used. Chromatograms were aligned using landmark approach (GC Image). Phase shifting and cropping was applied prior baseline correction using Lower Convex Hull Estimate. The influence of blank removal, scaling and normalization on the outcome of principal component analysis (PCA) and pixel prioritization was evaluated.</p><h3><strong>3. Shimadzu: High Throughput HS-GC Method for Residual Solvent Analysis in Valsartan API&nbsp;</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_06_saip_gc_040_en_cd25278230.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User benefits:</strong></h5><ul><li>HS-20 NX features a short transfer line along with continuous isolation gas flow minimizes carryover and enhances precision.</li><li>Active overlapping function, reduces sample analysis cycle time which boosts productivity.</li><li>Multiple solvent analysis in a single method.</li></ul><p>According to Guidelines by International Conference on Harmonization (ICH) [1], all residual solvents should be removed to the extent possible, to meet product specifications, good manufacturing practices, or other qualitybased requirements. Testing for residual solvents in raw materials is highly recommended as this solvent may be carried through the process and remain in the finished product. Early in the process, control is usually more effective during initial manufacturing stages compared to remediation which may resultsin even rejection of final product.&nbsp;</p><p><strong>Residual Solvent:</strong> Residual solvents in pharmaceuticals are defined as organic volatile chemicals that are used or produced in the manufacturing of drug substances or excipients, or in the preparation of drug products. Residual solvent analysis in pharmaceutical products is necessary not only because they represent a potential risk for human health, due to their toxicity and their undesirable side effects, but also because they may affect the physicochemical properties of pharmaceutical products. Therefore, it is a mandatory requirement for health authorities in the world to accurately determine the levels of residualsolventsthat are present in APIs or finished products. The ICH guideline Q3C(R9)[2] classifies the regularly used solventsinto three different classes based on their toxicity :&nbsp;</p><ul><li><strong>Class 1 solvents</strong> should be avoided due to their known carcinogenic effect on human. Hence, their use should not be employed in the manufacture of drug substances, excipients and drug products.&nbsp;</li><li><strong>Class 2 solvents</strong> should be limited in the drug products because of their inherent toxicity.&nbsp;</li><li><strong>Class 3 solvents</strong> are regarded as less toxic and of a lower risk to human health but those also have specified control threshold.</li></ul><p><strong>Analysis of Residual solvents:</strong> Gas chromatography is the technique of choice used for the analysis of the residual solvents. Several methods are available for this analysis in pharmacopeial references such as USP, BP, PhEur which are based on headspace technique</p><p><strong>Requirement of high throughput GC method:</strong> Multiple method are required to analyze all the classified solvents in ICH. Also, these methods are having longer run time which decreases productivity. Further, huge amounts of solvents are consumed during sample and standard preparations. By using high throughput method, maximum number of residual solvents can be analyzed in a single method. Various combinations of residual solvents can be analyzed by preparing standard of desired residual solvents. This method can be optimized for the critically separated residual solvent pair at the time of actual analysis. Hence, it proves to be time efficient and cost effective.</p><p><strong>Use of </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=Nexis+GC-2030"><strong>Nexis GC-2030</strong></a><strong> with </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=HS-20+NX"><strong>HS-20 NX </strong></a><strong>for the high throughput method:</strong></p><p>Shimadzu’s Nexis GC with HS-20 NX headspace autosampler provides unique features which helps in rapid chromatographic analysis such as high head pressure capacity enabling fast GC analysis. Also, vial overlapping function decreases cycle time, thereby boosting productivity.</p><h4><strong>Conclusion</strong></h4><p>Shimadzu’s Nexis GC-2030 along with HS–20 NX headspace system is suitable for drug discovery and pharmaceutical applications, allowing testing of wide range of residual solvents from low to high boilers in a single method with a short run time.</p>

News from LabRulezGCMS Library - Week 16, 2025

<p><strong>The goal of this study was to develop a straightforward and green analytical method for the semi-quantitative determination of 16 polycyclic aromatic hydrocarbons (PAHs) in extra virgin olive oil. The method uses cryogenic-zone-compression gas chromatography coupled with single quadrupole mass spectrometry (CZC GC-QMS), allowing for a significant enhancement in signal-to-noise ratio and simplifying the sample preparation to a single extraction step using only 500 µL of acetonitrile.</strong></p><p>This approach aligns with green analytical chemistry principles, offering improved sensitivity—an average 14-fold increase in s/n ratio—while maintaining satisfactory limits of quantification, accuracy, and precision. The method was applied to ten EVOO samples, where trace levels of PAHs were detected in six of them.</p><blockquote><h4><strong>The original article</strong></h4><h4><a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967324006228"><strong>Cryogenic-zone-compression gas chromatography-mass spectrometry for the determination of 16 polycyclic aromatic hydrocarbons in extra virgin olive oil</strong></a></h4><p>Alessia Arena, Mariosimone Zoccali, Peter Q. Tranchida, Luigi Mondello&nbsp;</p><p>Journal of Chromatography A, Volume 1732, 13 September 2024, 465248</p><p><a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1016/j.chroma.2024.465248">https://doi.org/10.1016/j.chroma.2024.465248</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>Humans are exposed to a wide range of chemicals throughout their lifetimes, such as polycyclic aromatic hydrocarbons (PAHs) which require particular attention due to their toxicity [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967324006228#bib0001"><span>1</span></a>]. PAHs constitute a class of organic compounds composed of two or more aromatic rings, primarily formed through incomplete combustion or pyrolysis of organic matter [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967324006228#bib0001"><span>1</span></a>]. One of the main routes of exposure is through food, particularly fatty foods, given the lipophilic nature of these contaminants [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967324006228#bib0002"><span>2</span></a>]. Sixteen PAHs have been highlighted by the International Programme on Chemical Safety, the Scientific Committee on Food, and the Joint FAO/WHO Expert Committee on Food Additives as mutagenic and genotoxic in somatic cells, and have also shown clear carcinogenic effects [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967324006228#bib0001"><span>1</span></a>]. According to the European (EU) Regulation 835/2011, a maximum level (ML) of 2.0 μg kg<sup>−1</sup> for benzo[a]pyrene (BaP) and of 10.0 μg kg<sup>−1</sup> for the sum of BaP, benz[a]anthracene (BaA), chrysene (CHR), and benzo[b]fluoranthene (BbFA) has been established for fats and oils [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967324006228#bib0003"><span>3</span></a>]. At the same time, following the Green Analytical Chemistry guidelines, it is crucial to develop environmental-friendly analytical methods that do not trigger further damage towards the environment and humans [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967324006228#bib0004"><span>4</span></a>].</p><p>Sample preparation has a strong impact on the environment, and many efforts have been made to reduce such an effect. In particular, in recent years the present Authors have focused attention toward a reduction of solvent use during analyte extraction, accompanied by the elimination of purification and final concentration steps [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967324006228#bib0005"><span>[5]</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967324006228#bib0006"><span>[6]</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967324006228#bib0007"><span>[7]</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967324006228#bib0008"><span>[8]</span></a>]. In such a respect, an additional approach that can enable the avoidance of purification/concentration steps, along with a reduction of sample solution volumes injected (leading to a reduced need for instrumental maintenance), consists in "cryogenic solute trapping", proposed by Marriott and Kinghorn in 1996 [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967324006228#bib0009"><span>9</span></a>]. The approach allowed for an increase in signal-to-noise ratio (<i>s/n</i>) values prior to detection, by using a cryogenic trap positioned at the end of the capillary column. Analyte release was enabled by thermal desorption from the GC oven heat. The same concept was applied in 2011 by Patterson et al. for the measurement of dioxins in human serum [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967324006228#bib0010"><span>10</span></a>], and in 2016 by L'Homme and Focant for the analysis of polychlorinated biphenyls and dichlorodiphenyldichloroethylene in serum samples [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967324006228#bib0011"><span>11</span></a>]. In both cases, a liquid nitrogen jet-cooled thermal modulator used for comprehensive two-dimensional gas chromatography (GC×GC) was exploited, and this approach was defined as "cryogenic-zone-compression" (CZC). It is noteworthy that, prior to the invention of GC×GC itself [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967324006228#bib0012"><span>12</span></a>], Phillips and co-workers used thermal desorption modulation for the scope of analyte concentration and release [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967324006228#bib0013"><span>13</span></a>].</p><p>The objective of the present study was to develop a CZC gas chromatography-single quadrupole mass spectrometry (GC-QMS) method for the determination of 16 PAHs in extra virgin olive oil (EVOO). A total of 10 commercial EVOOs were subjected to investigation. The liquid-liquid extraction process involved the use of 500 µL of acetonitrile. The quali/semi-quantitative PAH determination was performed in the selected-ion-monitoring mode (SIM). The developed method, which can be considered as a rapid green or red light one, was characterized by sufficient analyte detectability in relation to regulated PAH concentration limits.</p><h3><strong>2. Materials and methods</strong></h3><h4><strong>2.2. CZC GC-QMS conditions</strong></h4><p>The CZC GC-QMS system was composed of a GC oven (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GC-2010"><strong>GC-2010</strong></a>, Shimadzu Corporation, Kyoto, Japan), a single quadrupole mass spectrometer (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=QP2020"><strong>QP2020</strong></a>, Shimadzu). The GC-QMS system was equipped with an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=AOC-20i+autosampler"><strong>AOC-20i autosampler</strong></a>, and a Zoex II (liquid nitrogen-free modulator) cryogenic modulator. The split/splitless injector (350 °C) contained an empty liner (volume: 860 μL). The injection volume was 3 μL, in the splitless mode, using the “high-pressure injection mode” function (400 kPa for 0.5 min).</p><p>The analytical column was an SLB-PAHms [silphenylene polymer, virtually equivalent in polarity to poly (50 % diphenyl/50 %methylsiloxane)] of dimensions 30 <i>m</i> × 0.25 mm I.D. × 0.10 μm <i>d<sub>f</sub></i> (Merck Life Science). The GC oven temperature was programmed as follows: 110 °C (0.5 min) to 200 °C at 30 °C min<sup>−1</sup>, increased to 350 °C at 5 °C min<sup>−1</sup> (for 10 min), with a total run time of 43.5 min.</p><p>To achieve the CZC approach, the end of the analytical column was looped once using the metal support of the cryogenic modulator (Figure S1). A “compression” period of 18 s was applied, with a hot pulse (400 °C) of 350 ms. The cold jet flow was 9 L min<sup>−1</sup> (−90 °C).</p><p>Helium was used as carrier gas; after the high-pressure injection step, the initial pressure was 136.6 kPa (constant linear velocity mode: 50 cm <i>s</i><sup>−1</sup>).</p><p>Electron ionization was performed at 70 eV. The interface and ion source temperatures were 350 and 280 °C, respectively. The target analyses were carried out in the SIM acquisition mode, with an acquisition frequency of 10 and 100 Hz for the conventional and CZC GC-QMS analysis, respectively. The GCMS Solution v.4.45 software (Shimadzu Corporation) was used for data collection and processing.</p><h3><strong>3. Results and discussion</strong></h3><h4><strong>3.1. Development of the CZC GC-QMS method</strong></h4><p>For the development of the CZC GC-QMS method, a cryogenic modulator (loop-type) designed for GC×GC was utilized. Unlike GC×GC, where continuous and sequential modulation is carried out [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967324006228#bib0014"><span>14</span></a>], with CZC the aim is to entrap/compress each compound in a single cooling period and rapidly release it with a hot pulse. In such a manner, band broadening is practically nullified allowing for a great increase in <i>s/n</i> values (and reduction of detection limits).</p><p>Considering that the modulator used does not allow for programmed variation in the cold and hot jet flows during the analysis, the initial step of the research was focused on fine tuning of the cold jet flow (ranging from 5 to 16 L min<sup>−1</sup>) and on entrapment time duration; the temperature (ranging from 300 to 450 °C) and duration (ranging from 100 to 500 ms) of the hot jet were also finely optimized. This, to efficiently entrap and release each compound within a single cold-hot cycle. The efficient entrapment of the lowest boiling-point PAH (BcFL) was achieved using a cold jet flow of 9 L min<sup>−1</sup>. On the other hand, the release of the highest boiling-point PAH was performed by using a hot jet pulse of 350 ms and a temperature of 400 °C.</p><p>The duration of the compression period of 18 s was experimentally optimized, considering both the widest peak base width (10.2 s considering the partially co-eluting compounds IP and DBahA) and potential retention time shifts. The final outcome consisted of PAH peaks with a base width in the 120–420 ms range, with an average value of 217 ms. Instead, without using CZC, the peak base widths were in the 4.8–8.4 s range, with an average value of 6.5 s (without considering the sum of IP and DBahA). Therefore, considering the average values for both the approaches, a compression factor of about 30 times was obtained.</p><p>The use of the SIM mode (used in all stages of this research) enabled both an enhancement of analyte detectability and the use of an acquisition frequency (100 Hz) sufficient to generate an adequate number of data points (a minimum of 12 were attained) for reliable quantification. It should be noted that for isobaric compounds, the SIM mode may introduce errors in quantification if the components of interest are not baseline resolved. For this reason, considering the partial co-elution between IP and DBahA, the two compounds were trapped together, released in a single pulse, and then quantified as a sum. However, the current EU legislation does not report a specific ML, for such compounds, therefore not affecting the validity of the proposed method [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967324006228#bib0003"><span>3</span></a>].</p><p><a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967324006228#fig0001"><span>Fig. 1</span></a> reports the chromatograms obtained by using the CZC GC-QMS approach (lower signals) in comparison with the one acquired without CZC (upper signals), analyzing a blank EVOO sample spiked at the 10 µg kg<sup>−1</sup> concentration level. <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967324006228#fig0002"><span>Fig. 2</span></a> reports four zoomed-in segments of the two chromatograms shown in <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967324006228#fig0001"><span>Fig. 1</span></a>, involving BaA, CPP, CHR and the IS, along with BaP. The CZC GC-QMS and GC-QMS chromatogram segments are characterized by a different y-axis maximum intensity, to enable an easier visual comparison between the two methods.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Journal_of_Chromatography_A_Volume_1732_2024_465248_Fig_1_Comparison_of_the_two_investigated_approaches_conventional_GC_QMS_690b2db12a.jpg" alt="Journal of Chromatography A, Volume 1732, 2024, 465248: Fig. 1. Comparison of the two investigated approaches-conventional GC-QMS" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Journal_of_Chromatography_A_Volume_1732_2024_465248_Fig_1_Comparison_of_the_two_investigated_approaches_conventional_GC_QMS_690b2db12a.jpg 245w," sizes="100vw" width="1600" height="791"></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Journal_of_Chromatography_A_Volume_1732_2024_465248_Fig_2_Conventional_GC_QMS_and_CZC_GC_QMS_zoomed_in_segments_from_Fig_1_abbreviations_are_defined_in_Section_2_4c118b4318.jpg" alt="Journal of Chromatography A, Volume 1732, 2024, 465248: Fig. 2. Conventional GC-QMS and CZC GC-QMS zoomed-in segments from Fig. 1 (abbreviations are defined in Section 2)." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Journal_of_Chromatography_A_Volume_1732_2024_465248_Fig_2_Conventional_GC_QMS_and_CZC_GC_QMS_zoomed_in_segments_from_Fig_1_abbreviations_are_defined_in_Section_2_4c118b4318.jpg 245w," sizes="100vw" width="1600" height="743"></p><h3><strong>4. Conclusions</strong></h3><p>The CZC-GC-QMS method herein proposed has a demonstrated effectiveness for the determination of PAH contamination in EVOO, enabling a notable reduction in the sample preparation process and solvent usage. An analyte detectability comparison between conventional GC-QMS and CZC-GC-QMS revealed the superior performance of the latter approach. Notwithstanding the high number of analysis carried, no degradation of the column and MS performances were observed. In future studies, the CZC-GC-QMS approach will be exploited to target analyze various other types of food and biological samples.</p>

Cryogenic-zone-compression gas chromatography-mass spectrometry for the determination of 16 polycyclic aromatic hydrocarbons in extra virgin olive oil

<p><strong>In the week from April 21, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.</strong></p><blockquote><p><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></p><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>4 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Agilent Technologies: Mineral Identification and Phase Mapping of Geologic Samples Using Agilent 8700 Laser Direct Infrared Chemical Imaging System</strong></h5><ul><li>Thursday, April 24, 2025</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4924">Registration</a></li></ul><p>Join our webinar and learn about the Agilent 8700 Laser Direct Infrared (LDIR) chemical imaging system, which enables the rapid collection of hyperspectral data in the mid-infrared (mid-IR) fingerprint region.</p><h5><strong>2. Agilent Technologies: Embracing ICH Q14 Guidelines for Analytical Procedures</strong></h5><ul><li>Thursday, April 24, 2025</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4874">Registration</a></li></ul><p>This presentation will cover the latest regulations in analytical development, focusing on ICHQ14, with an overview of new standards and guidelines professionals will need to follow.</p><h5><strong>3. Waters Corporation: Empower Tips: Ask Me Anything About Using CDS Data Analytics to Address Data Integrity Challenges</strong></h5><ul><li>Thursday, April 24, 2025</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4898">Registration</a></li></ul><p>In this webinar, our resident Empower Software expert Neil Lander is joined by guest Donald Preiss, who will provide insights into how the team at MannKind have overcome their data integrity challenges.</p><h5><strong>4. Agilent Technologies: Decoding Detectors: Advanced Insights into Gas Chromatography Detectors, Column Installation, Optimization and Troubleshooting</strong></h5><ul><li>Wednesday, April 23, 2025</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4516">Registration</a></li></ul><p>We will cover the various types of detectors, including FID, TCD, ECD, and MS detectors, discussing their strengths and applications.</p><h5><strong>5. SelectScience/Thermo Fisher Scientific: Unleash innovation with Thermo Scientific Momentum Workflow Automation Suite: From discovery to regulatory success</strong></h5><ul><li>Wednesday, April 23, 2025</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5019">Registration</a></li></ul><p>Join Thermo Fisher Scientific lab automation experts and leading industry partners for an exclusive webinar exploring the transformative power of the Thermo Scientific™ Momentum™ Workflow Automation suite.</p><h5><strong>6. LECO: Using GCxGC and Data Analysis Tools for Aroma, Flavor, and Fragrance Samples</strong></h5><ul><li>Wednesday, April 23, 2025</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4945">Registration</a></li></ul><p>This webinar will discuss some of the key characteristics of each software tool (ChromaTOF, ChromaTOF Tile, and ChromaTOF Sync 2D).</p><h5><strong>7. Agilent Technologies: Fumigant Residues in Food: Addressing the Growing Problem</strong></h5><ul><li>Wednesday, April 23, 2025</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5020">Registration</a></li></ul><p>In this webinar, experts will discuss why fumigants testing matters, how it is done, and what labs can do to stay ready.</p><h5><strong>8. Agilent Technologies: Optimize Deconvolution Parameters to Reduce False Negatives</strong></h5><ul><li>Tuesday, April 22, 2025</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4961">Registration</a></li></ul><p>Join this webinar and learn how to demystify the user definable parameters in the MassHunter Data Analysis software.</p><h5><strong>9. Shimadzu Corporation: Living Laboratory Unleashed: Your Gateway To Complete DX Capabilities</strong></h5><ul><li>Tuesday, April 22, 2025</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5016">Registration</a></li></ul><p>Join us today and experience seamless connectivity, AI-powered capabilities, and paperless workflows—all designed to simplify and optimize various aspects of your lab operations.</p><h5><strong>10. PerkinElmer: From Lab to Light: Characterizing Advanced Materials for Solar Breakthroughs</strong></h5><ul><li>Monday, April 21, 2025</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5090">Registration</a></li></ul><p>PerkinElmer explores how advanced materials and analytical tech are driving innovation in renewable energy. Learn how solar and other markets benefit from these breakthroughs.</p>

Webinars LabRulezGCMS Week 17/2025

Article

Product

Events

Webinars

Application

Academy

Video

Poster

Scientists

Plastics

Environment

Food

Water

Health

Presentation

Scientific article

Interview

Toxicology

Popularization

Science and research

Software

Covid-19

Career

Laboratories

Various

Zaměření

Type of News

Focus

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

LabRulez

Thermo Fisher Scientific at US HUPO 2026

36th MassSpec Forum Vienna 2026

US HUPO 2026

Microplastics in Wastewater: A Population Based Approach to Identifying Potential Sources

Real-Time In-Line Insight for Therapeutic Protein Production

Ask Me Anything About Managing Computerized System Risks to Data Integrity