When a police dog is tasked with finding a missing person, which odors will guide its search? And which combination of chemicals forms those odors?<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/articles?search=Katelynn+Perrault+Uptmor">Katelynn Perrault Uptmor</a>, assistant professor of chemistry at William &amp; Mary, answers questions like these in her research into the chemical breakdown of substances involved in forensics (such as decomposing remains or fingerprint residue) and food (including coffee and kombucha). Now, she has a new, state-of-the-art instrument to elevate her work.In June 2024, Perrault Uptmor won a national contest and was awarded an advanced piece of lab equipment: a brand-new <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=24&amp;search=BTX">Leco Pegasus BTX 4D</a> with Paradigm Shift Flow Modular from Leco Corp., one of the leaders of separation science tools.<figure class="image"><img style="aspect-ratio:1620/1080;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/William_and_Mary_Expanding_Research_Chemistry_professor_Katelynn_Perrault_Uptmor_center_stands_with_research_students_at_her_lab_in_the_Integrated_Science_Center_Photos_courtesy_of_Katelynn_Perrault_Uptmor_910df5bd16.jpg" alt="William &amp; Mary: Expanding Research: Chemistry professor Katelynn Perrault Uptmor (center) stands with research students at her lab in the Integrated Science Center. (Photos courtesy of Katelynn Perrault Uptmor)" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_William_and_Mary_Expanding_Research_Chemistry_professor_Katelynn_Perrault_Uptmor_center_stands_with_research_students_at_her_lab_in_the_Integrated_Science_Center_Photos_courtesy_of_Katelynn_Perrault_Uptmor_910df5bd16.jpg 234w," sizes="100vw" width="1620" height="1080"></figure>The new instrument will be a valued addition to Perrault Uptmor’s lab, where she studies the composition and structure of matter through separation science tools. It will increase the capacity of her lab’s productivity, provide additional research opportunities for students and enable her to solve more complex research questions.“I'm not the chemist who sits at a bench mixing chemicals together to make something new. I'm the chemist who tries to find out what something is made of,” says Perrault Uptmor.She arrived at William &amp; Mary in August 2023 after an academic world tour: After growing up in Toronto, she moved to Australia to complete a Ph.D., traveled to Belgium for postdoctoral training and accepted her first faculty position at Chaminade University of Honolulu in Hawaii. At W&amp;M, she is excited about having increased resources, time for research and students who are eager to embark on chemistry research.The new equipment from Leco will further energize her work, which utilizes a process called <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?instrumentationItems=2&amp;mainauthorItems=24">comprehensive two-dimensional gas chromatography (GC×GC)</a> to identify the components of chemical samples.<img style="aspect-ratio:667/500;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/William_and_Mary_The_new_Leco_equipment_arrived_at_Perrault_Uptmor_s_lab_in_the_summer_of_2024_1a94f66c0f.jpg" alt="William &amp; Mary: The new Leco equipment arrived at Perrault Uptmor's lab in the summer of 2024" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_William_and_Mary_The_new_Leco_equipment_arrived_at_Perrault_Uptmor_s_lab_in_the_summer_of_2024_1a94f66c0f.jpg 208w," sizes="100vw" width="667" height="500">“Based on the lab’s needs, the importance of the work being done and the genuine passion for GC×GC, we believe she is the most deserving of this state-of-the-art equipment,” says John Hayes, separation science product manager at Leco.&nbsp;The process of gas chromatography allows Perrault Uptmor to gain a more comprehensive separation of all the chemicals in a sample and therefore acquire more specific data. The Leco instrument is further advanced in this process than alternative separation science tools, with superior sensitivity and sustainability.&nbsp;Emma Macturk, a graduate student in chemistry who studies the composition of fingerprint residue in Perrault Uptmor’s lab, says that the gift will significantly improve the lab’s ability to conduct separation research: “With more sophisticated instrumentation, we can ask and answer more complex questions.”GC×GC instruments contain tubes (called capillaries) through which samples travel as they are separated into their different components. The capillaries in many conventional GC×GC instruments are not long enough to separate the hundreds of compounds in Perrault Uptmor’s complex samples. But the Leco GC×GC instrument contains two capillaries connected via an interface, enabling better detection and sensitivity. &nbsp;The new instrument also provides a more sustainable process of research, a feature that both Perrault Uptmor and Macturk emphasize. The improved sustainability stems from the instrument’s modulator, which enables the process of separation. Other instruments use temperature to control separation — increasing heat to speed up the process and cooling to slow it down — and requires a constant supply of liquid cryogens. But the new Leco instrument uses valves to stop and release flow, a much greener approach. The old approach costs money and time and resources, Perrault Uptmor says, while the new system avoids those constraints.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/William_and_Mary_Perrault_Uptmor_started_teaching_and_researching_in_the_chemistry_department_at_W_and_M_in_August_2023_e148c57701.jpg" alt="William &amp; Mary: Perrault Uptmor started teaching and researching in the chemistry department at W&amp;M in August 2023." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_William_and_Mary_Perrault_Uptmor_started_teaching_and_researching_in_the_chemistry_department_at_W_and_M_in_August_2023_e148c57701.jpg 202w," sizes="100vw" width="647" height="500">The mechanical details of the new equipment are exciting; the consequent increased capacity for her lab and the impact on her students’ research is even more so, she says.“This is a huge capacity build that allows us to essentially run double the number of projects, which means more undergraduate students get training on it,” says Perrault Uptmor.Professor of Chemistry J.C. Poutsma, a fellow analytical chemist, is similarly enthusiastic about the impact of the equipment on student education and training: “We are delighted that Leco chose Kate to receive the new mass spectrometer. The acquisition of this state-of-the-art instrument will allow our undergraduate chemistry majors to experience cutting-edge mass spectrometry techniques in both classroom and independent research settings.”Perrault Uptmor currently has seven undergraduates and one graduate student working in her lab. Students often begin as volunteers before signing up to do research for credit and working in the lab over the summer “My goal is for them to be fully responsible for their own project, take ownership of that project and get an authentic research experience,” she says.While students take the lead on individual projects, there is still frequent collaboration in the lab. And students have one-on-one instruction with Perrault Uptmor as well, often working through data analysis strategies and software development.Kira Fisher ’26, a chemistry major, works in Perrault Uptmor’s lab developing an easy workflow for method development with the GC×GC process. Fisher arrived at chemistry research after an initial interest in forensic science. Another chemistry professor directed her to Perrault Uptmor’s lab, where she has conducted research that she presented at the Eastern Analytical Symposium and the W&amp;M Fall Undergraduate Research Symposium.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/William_and_Mary_Perrault_Uptmor_s_students_will_gain_research_experience_with_the_new_Leco_instrument_that_is_in_demand_with_employers_502dfd0864.jpg" alt="William &amp; Mary: Perrault Uptmor's students will gain research experience with the new Leco instrument that is in demand with employers" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_William_and_Mary_Perrault_Uptmor_s_students_will_gain_research_experience_with_the_new_Leco_instrument_that_is_in_demand_with_employers_502dfd0864.jpg 219w," sizes="100vw" width="702" height="500">“I have gained so much hands-on experience in the lab. I feel comfortable analyzing data on my own and doing daily lab tasks by myself — something I was not comfortable doing before joining this lab,” Fisher says.Sarah Foster ’27, another student in Perrault Uptmor’s lab, got an early start in the lab in the fall of her first year at W&amp;M. Foster is working on two research projects: analyzing volatile organic compounds (VOCs) present in fresh versus fermented poi (a traditional Polynesian food) and analyzing VOCs in different brands of kombucha. For the kombucha project, she is using the new Leco instrument.“It is really amazing to have the opportunity to work with new instrumentation like the Leco instruments we have in our lab,” Foster says. “At first, I was nervous to work with such fancy equipment, but Dr. Kate really helped me feel comfortable around everything. It is a real confidence boost to be trusted to run the instruments and take care of regular lab maintenance.”This past summer, Foster accepted a summer fellowship with the Food and Drug Administration through the Oak Ridge Institute for Science and Education, where she performed bioanalytical chemistry research.Experience with lab work and this type of instrumentation will be beneficial for W&amp;M chemistry students’ career options.“A large majority of companies want students that are trained in analytical chemistry. And a lot of schools are actually minimizing their analytical departments,” says Perrault Uptmor.With the addition of the Leco instrument, Perrault Uptmor’s lab will distinguish the W&amp;M chemistry department from those at other universities and ensure that students can develop highly marketable job skills. “From a research and teaching perspective,” she says, “this is really exciting.”

A Winning Lab

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!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you application notes by Agilent Technologies and Shimadzu and poster by GC Image / MDCW!<h3>1. Agilent Technologies: Navigating Global Microplastics Regulations in Drinking Water with Vibrational Spectroscopy</h3>Ensuring accurate and reliable microplastics characterization with the 8700 LDIR<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">Full PDF for download</a></li></ul>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.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;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;<ul><li>Thermo-analytical methods 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>Vibrational spectroscopy methods including Fourier transform infrared (FTIR) spectroscopy and Raman spectroscopy, which provide information about polymer type, number of particles, and size</li></ul>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;Three such regulatory frameworks have been established by the following bodies:&nbsp;<ul><li>Commission Delegated Decision (EU) 2024/1441: 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>California Water Boards: 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>ISO/DIS 16094-2: 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>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<h4>Requirements of regulatory methods</h4><h5>Minimum and maximum particle size&nbsp;</h5>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;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">8700 LDIR</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.8,9As 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">Cary 630 FTIR</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<h4>Conclusion&nbsp;</h4>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.<h3>2. Shimadzu: Analysis of Neutral PFAS in Ambient Air Using Thermal Desorption GC-MS</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">Full PDF for download</a></li></ul>User Benefits:<ul><li>A thermal desorptionGC-MS system can accurately measure quantities of volatile and semivolatile per- and polyfluoroalkyl 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">TD-30R thermal desorption system</a> can perform high-throughput analysis as it does not require solvent extraction</li></ul>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;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;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">GCMS-QP2020 NX</a>) measured the quantities of nine volatile and semivolatile neutral PFAS (Table 1) in ambient air.<h4>Spike-and-Recovery Test with Ambient Air&nbsp;</h4>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.<h4>Conclusion&nbsp;</h4>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.<h3>3. GC Image / MDCW: Interactive Ion Peak Analysis and Differencing for Comparing Multidimensional Chromatography Data</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">Full PDF for download</a></li></ul>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.<h4>Approach 2: Ion Peak Matching&nbsp;</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>Data Set&nbsp;</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">AccuTof GC</a>+ mass spectrometer with an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=7890+GC">7890 GC</a></li></ul><h5>Unique Peaks Filter</h5>Significant unique ion peaks are shown using filters:<ul><li>‘Unmatched’ status</li><li>SNR &gt; 150</li></ul><h5>Common Peaks Filter&nbsp;</h5>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;<h5>Peak Comparison&nbsp;</h5>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. &nbsp;

News from LabRulezGCMS Library - Week 14, 2025

News from LabRulezLCMS Library - Week 14, 2025

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!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you brochures by Agilent Technologies, Shimadzu, application note by Thermo Fisher Scientific and poster by University of Liège / MDCW!<h3>1. Agilent Technologies: Ensure Composition, Purity, and Calorific Value</h3>Agilent natural gas analyzers<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">Full PDF for download</a></li></ul><h4>Produce Accurate, Reliable Data and Maximize Product Quality</h4>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.<h5>Confidently measure permanent gases and hydrocarbon content with Agilent natural gas analyzers&nbsp;</h5>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">Agilent 8890 GC</a> or <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=990+micro+GC">990 Micro GC systems</a>. Each is factory configured and chemically tested to deliver the results you need, fast, while saving you precious startup time.&nbsp;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.<h4>Agilent 8890 fast GC&nbsp;</h4><h5>Precisely analyze natural gas&nbsp;</h5>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;<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>Agilent 990 Micro GC&nbsp;</h4><h5>Precision results in seconds&nbsp;</h5>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;<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>Additionally, the Agilent 990 Micro GC PRO is designed for online process environments and features onboard data collection, integration, and result generation.&nbsp;<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>Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=GC+gasifier+">GC gasifier&nbsp;</a></h4><h5>Reliably introduce liquefied gas into your GC&nbsp;</h5>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.<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>Capture, analyze, and share data: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=OpenLab+CDS">OpenLab CDS</a> works the way you do&nbsp;</h4>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;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;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;Note: 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.<h3>2. University of Liège / MDCW: Identification of Antifungal Volatile Organic Compounds (Vocs) from Streptomyces Scabiei 87-22 Using GC×GC-TOF-MS</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">Full PDF for download</a></li></ul>Plant pathogens harm food production and the economy, while synthetic fungicides pose health and environmental risks, emphasizing the need for new alternatives.1 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.2&nbsp;<h4>Study inception</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>Results and discussion</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>Conclusion and perspectives</h4>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.<h3>3. Shimadzu: Gas Chromatography Detector VGA-100 / VGA-101</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">Full PDF for download</a></li></ul><h4>Meet the alternative with a vacuum ultraviolet (VUV) detector for Gas Chromatography</h4>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;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.<h4>Gas Chromatography detection in a whole new light</h4><h5>VUV analysis system offers…</h5><ul><li>Identification performance specialized for fuel analysis<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">Nexis GC-2030</a> improves identi cation performance with retention index.</li></ul></li><li>Full compliance with ASTM official standards<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>Enhanced analysis support functions<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>4. Thermo Fisher Scientific: Thermo Scientific Orbitrap GC-MS HRAM Flavor and Fragrances Library</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">Full PDF for download</a></li></ul>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 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.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">Thermo Scientific™ Compound Discoverer™ software</a>, accurate flavor and fragrance identification can be quickly achieved. The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/472">Thermo Scientific™ Orbitrap Exploris™ GC mass spectrometers </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;<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>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;<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>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">Thermo Scientific™ TraceFinder™ software</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;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.

News from LabRulezGCMS Library - Week 15, 2025

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!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you application notes by Agilent Technologies, Shimadzu and poster by University of Copenhagen / MDCW!<h3>1. Agilent Technologies: Purity Analysis of N-Methyl Pyrrolidone (NMP) Using an Agilent 8850 GC</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">Full PDF for download</a></li></ul>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;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;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;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">8850 GC</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.<h4>Experimental&nbsp;</h4>All data were generated on an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8850+GC">8850 GC</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">7650 ALS</a>. Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=OpenLab+CDS+software">OpenLab CDS software</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.<h4>Results and discussion</h4>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;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;<h4>Conclusion</h4>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.<h3>2. University of Copenhagen / MDCW: The evaluation of GC×GC-QTOF data by pixel-based analysis: A Tutorial&nbsp;</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">Full PDF for download</a></li></ul>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">GC×GC</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">QTOFMS</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.<h4>METHODS</h4>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.<h3>3. Shimadzu: High Throughput HS-GC Method for Residual Solvent Analysis in Valsartan API&nbsp;</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">Full PDF for download</a></li></ul><h5>User benefits:</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>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;Residual Solvent: 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;<ul><li>Class 1 solvents 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>Class 2 solvents should be limited in the drug products because of their inherent toxicity.&nbsp;</li><li>Class 3 solvents are regarded as less toxic and of a lower risk to human health but those also have specified control threshold.</li></ul>Analysis of Residual solvents: 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 techniqueRequirement of high throughput GC method: 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.Use of <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=Nexis+GC-2030">Nexis GC-2030</a> with <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=HS-20+NX">HS-20 NX </a>for the high throughput method: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.<h4>Conclusion</h4>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.

News from LabRulezGCMS Library - Week 16, 2025

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 21st April 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you application notes by Agilent Technologies and Shimadzu, poster by MDCW / Mane SEA PTE and technical note by Thermo Fisher Scientific!<h3>1. Agilent Technologies: Determination of Polychlorinated Biphenyl (PCB) by GC/MS According to EPA Method 1628</h3>Using an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8890+GC">8890 GC</a> with an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=5977C+GC%2FMSD+">5977C GC/MSD </a>in selected ion monitoring (SIM) mode<ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_pcbs_gcms_epa_method_1628_5994_8056en_agilent_1_dcb1461047.pdf">Full PDF for download</a></li></ul>PCBs are synthetic compounds belonging to the chlorinated hydrocarbon family. Historically, PCBs were extensively used in various industrial applications, including electrical components, plasticizers, and pigments and dyes. However, due to their environmental persistence and potential health risks, their use was banned in 1979 under the Toxic Substances Control Act (TSCA). Classified as POPs, PCBs resist degradation and are known to bioaccumulate in aquatic life according to the EPA.1 In response to the need for effective monitoring of PCBs, the EPA has developed method 1628, which employs low-resolution mass spectrometry in SIM mode.2 This method is the first to measure all 209 individual PCB congeners, calibrating for 65 PCBs and screening for the remaining 144 congeners. The method includes 29 labeled PCB surrogates and three labeled PCBs as internal standards for analytical accuracy. In this application note, an 8890 GC with a 5977C GC/MSD was used to analyze PCBs in sand and soil, meeting all requirements for EPA method 1628.<h4>Experimental</h4>An 8890 GC with a 5977C GC/MSD was used for this work. The 8890 GC was configured with mid column backflush to prolong column lifetime. Detailed method parameters were set according to EPA method 1628 and are shown in Tables 1 to 3.<h4>Results and discussion</h4>Example chromatograms are shown in Figures 1 and 2. Figure 1 shows the separation of the 65 calibrated PCB congeners and the 32 labeled PCB congeners at 50 and 40 ppb, respectively. The analytical separation of all 209 PCB congeners and 32 labeled PCB congeners at 50 and 40 ppb is shown in Figure 2.Per the method requirements for EPA method 1628, PCB congeners 28 and 31 must be chromatographically separated. The valley of the two peaks must be less than 80% of the height of the smaller peak, which is demonstrated in Figure 3. The method also requires that PCB congener 118 at 10 ppb has a signal to noise ratio (S/N) greater than or equal to 3:1. Figure 4 shows successfully meeting this method criteria with a S/N of 6.1 for PCB congener 118 at 10 ppb.<h4>Conclusion&nbsp;</h4>An Agilent 8890 GC with an Agilent 5977C GC/MSD was successfully used to analyze PCB congeners according to EPA method 1628. This method uses low-resolution SIM mode to quantitate 65 congeners while being able to see all 209 native congeners. All method requirements were met, including for linearity, resolution, and sensitivity.<h3>2. MDCW / Mane SEA PTE: Unraveling The Distribution and Enantiomer Ratio of Selected Carotenoid-derived Aroma Compounds In Oolong Tea Using MD-GC Coupled with MS</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Poster_14_13587ac212.pdf">Full PDF for download</a></li></ul>Carotenoid-derived compounds (CDCs) are important contributors to the xcharacteristic flavour of oolong tea. These compounds can exist in different xisomeric forms that have similar structural, physical and chemical but different sensory properties, making their differentiation difficult but important.However, the analysis of these carotenoid-derived compounds and determination of their enantiomeric distributions in tea is challenging due to their low concentrations and wide variability. In consideration of their impact on sensory perception, these challenges faced in their detection and quantification need to be addressedOBJECTIVE: To develop and optimize two-dimensional gas chromatography methods for the detection of CDCs and investigate their enantiomer distribution in different oolong teas.<h4>ANALYTICAL WORKFLOW</h4><ul><li>Comprehensive Two-Dimensional Gas Chromatography (GCxGC)</li><li>Heart-Cutting Two-Dimensional Gas Chromatography (GC-GC)</li></ul><h4>GCxGC-qTOF/MS OPTIMISATION</h4><ol><li>Continuous cold jet to trap the analytes at the head of the 2D column&nbsp;</li><li>Pulsed hot jet set at a fixed interval to release the trapped analytes&nbsp;</li></ol>Modulation period: amount of time between hot jet pulses Hot jet duration: length of time when the hot jet is turned on<h4>Conclusion</h4><ul><li>The modulation period determines the time when the compounds are allowed to separate on 2D and should be optimized to avoid wrap-around of peaks while efficiently utilizing the separation space. On the other hand, hot jet duration determines the amount of compounds entering the 2D.&nbsp;<ul><li>The optimized parameters for modulation period (14 s) and hot jet duration (350 μs) were used.&nbsp;</li></ul></li><li>MD-GC can overcome the challenges faced by conventional GC in the separation of complex tea matrices.&nbsp;<ul><li>GCxGC: improves detection limit due to cryogenic trapping of the modulation step.&nbsp;</li><li>GC-GC: removes interference from peaks of interest while improving quantification.&nbsp;</li></ul></li><li>Different cultivars and processing parameters result in different volatile compound compositions in oolong teas.</li></ul><h3>3. Shimadzu: High-Sensitivity Analysis of Formic Acid in Methanol Solution Using Jetanizer</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00833_en_adef055a54.pdf">Full PDF for download</a></li></ul><h5>User benefits:</h5><ul><li>Using <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Jetanizer">Jetanizer</a> as a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=Nexis+GC-2030+FID">GC-FID</a> nozzle makes it possible to accurately analyze formic acid in methanol solution.</li><li>The Jetanizersimply replaces the conventional GC-FID nozzle, making it easy to install and inexpensive.</li></ul>Green Transformation (GX) initiatives aim to transition from fossil fuels to green energy and balance greenhouse gas emissions reduction with economic growth. These initiatives are expected to use innovative technologies such as artificial photosynthesis, which utilizes sunlight to produce hydrogen and organic compoundsfrom water and carbon dioxide.&nbsp;Research on such artificial photosynthesis, along with the analysis of impurities in chemical products and raw materials, highlights the demand for high-sensitivity analysis of formic acid. A simple method for analyzing formic acid is gas chromatography (GC), where a TCD detector is used for highconcentration samples, and a BID detector is used for lowconcentration samples. Unfortunately, the FID detector, a general-purpose detector, lacks sensitivity to formic acid. However, by replacing the FID detector with a Jetanizer (In-Jet type methanizer) that contains a catalyst in the FID nozzle and adjusting the analysis conditions, high-sensitivity measurement of formic acid at the ppm level becomes possible.This Application News presents an example of the highsensitivity analysis of formic acid contained in a methanol solvent using Jetanizer as the GC-FID nozzle.<h4>Features of the Jetanizer</h4>The Jetanizer is a compact FID-Jet type methanizer that contains a catalyst filled inside (Fig. 1). As a result, it enables the detection of CO and CO2, which cannot be detected by a standard FID, by reducing them and converting them into methane. Additionally, the heating elements, sensors, and extra hydrogen gas supply lines previously required for methanizers are no longer necessary, allowing for direct installation and use just like a standard FID.<h4>Measurement of Formic Acid in Methanol</h4>The chromatograms of formic acid at various concentrations in methanol (1, 5, 10, 50, 100, 500, and 1000 ppm) and an enlarged view of the low concentration range are shown in Fig. 4. The calibration curve for N = 5 is presented in Fig. 5. Additionally, the overlaid chromatograms for continuous measurement at 10 ppm are shown in Fig. 6, and the RSD% of the area values for N = 5 at each concentration is provided in Table 2. Good reproducibility of the area was confirmed at each concentration.<h4>Conclusion&nbsp;</h4>High-sensitivity analysis of formic acid is essential for the impurity analysis of chemical products and raw materials, including GX. When analyzing formic acid using GC, it is necessary to select the appropriate detector based on the measurement concentration range. The method introduced here allows for the convenient analysis of formic acid by performing phosphoric acid treatment on the insert and column and utilizing a Jetanizer.<h3>4. Thermo Fisher Scientific: What is the benefit of high mass resolving power on the Orbitrap Exploris GC Series?</h3><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/sl_003312_gc_hram_orbitrap_exploris_240_targeted_gc_sl003312_na_en_8f86e0d919.pdf">Full PDF for download</a></li></ul><h4>Why do I need high mass resolving power from Orbitrap technology?&nbsp;</h4><ul><li>Resolve target analytes from interfering compounds and matrix ions of similar mass.&nbsp;</li><li>Achieve sub-ppm mass accuracy to give data certainty in compound identification.&nbsp;</li><li>Sub-ppm mass accuracy enables narrow mass extraction windows (± 5 ppm) to give high selectivity, which in turn makes peak detection algorithms efficient.&nbsp;</li><li>Easily increase scope of analysis through full scan accurate mass data acquisition (Figure 1).&nbsp;</li><li>Quickly and confidently propose elemental compositions for the identification of unknown features.&nbsp;</li><li>Retrospective data processing of samples long after data acquisition.&nbsp;</li><li>Have high mass resolving power and sensitivity. No compromise.&nbsp;</li></ul>With resolving power of up to 240,000 and consistent sub-ppm mass accuracy, the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/472">Thermo Scientific™ Orbitrap Exploris™ GC 240 mass spectrometer </a>is a unique laboratory tool for targeted and discovery workflows, where screening, quantitation, compound identification, and structural elucidation applications are required.&nbsp;High-resolution Orbitrap mass spectrometry has been available with both liquid and gas chromatography for many years and has proven to be a highly valuable analytical technique.1-4 More recently, the technology in gas chromatography moved to join the Thermo Scientific Orbitrap Exploris Mass Spectrometer series. This new platform of a benchtop hybrid quadrupoleOrbitrap mass spectrometer opens up research opportunities in a system with a significantly reduced footprint, saving both energy and raw materials. The benchtop hybrid quadrupole-Orbitrap mass spectrometer provides new possibilities for increased mass accuracy, sensitivity, and selectivity for GC-amenable compounds. Figure 2 shows how the resolving power is in the ideal range for volatile small molecules, with resolving power increasing with lowering m/z.<h4>The impact of mass resolution on selectivity for targeted analysis&nbsp;</h4>High-resolution, accurate-mass (HR/AM) experiments typically provide a full scan analysis of a sample, and for small molecule analyses, the scan range is typically 50–600 Da. Orbitrap technology provides the required selectivity to resolve the target compound from other compounds or from matrix ions of similar mass. For targeted compound analysis, the accurate mass of the diagnostic ion is extracted with a narrow mass extraction window (typically &lt; 5 ppm). This narrow window is possible only when the instrument provides sufficient mass accuracy, for which high mass resolving power is essential. However, when two mass profiles overlap, the measured mass profile is the sum of the two individual profiles. This overlap results in the incorrect assignment of the mass of the target compound. The problem is demonstrated in Figure 3, where a QuEChERS leek extract in acetonitrile was analyzed four times at resolving powers of 15K, 30K, 60K, and 120K (m/z 200).&nbsp;Being able to separate two compounds that are close in mass is one of the significant advantages of high-resolution accurate mass. This is demonstrated in Figures 4A-C where the compounds flurenol methyl ester C15H12O3 m/z = 240.0781 and dimetilan C10H16N4O3 m/z = 240.1217 were analyzed at equal intensity at three different resolving power levels of 30,000, 60,000, and 240,000. The zoomed spectra show excellent separation at all resolution levels, with improvements at 60K and 240K showing the clear benefits. When analyzed at 10:1 ratio (Figure 5), there is still good separation and mass accuracy. The latter reflects the real world where compounds will be at varying intensities, and it is essential that mass accuracy is maintained to make confident identifications.

News from LabRulezGCMS Library - Week 17, 2025

In the realm of analytical chemistry, particularly in the specialization of chromatography, the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/218">Multidimensional Chromatography Workshop (MDCW)</a> stands out as a benchmark event. Hosted annually, this workshop not only showcases innovations in multidimensional chromatography but also fosters a deeply collaborative and inclusive scientific community. This article presents a structured overview of the key highlights and offerings of MDCW, based on insights shared by Dr. Petr Vozka (<a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/companies/219">Cal State LA's Complex Chemical Composition Analysis Lab (C³AL)</a>) in an interview with Organomation.<h4>What Is MDCW?</h4>The Multidimensional Chromatography Workshop (MDCW) is a technically focused, research-driven conference dedicated to advancing chromatography practices. The event brings together scientists from around the world to explore topics such as:<ul><li>Gas Chromatography (GC)</li><li>Liquid Chromatography (LC)</li><li>Supercritical Fluid Chromatography (SFC)</li></ul>Unlike many commercial conferences, MDCW is known for its academic rigor, collaborative environment, and comprehensive educational sessions.<h4>Key Features of MDCW</h4><h5>Free Registration and Generous Support</h5>One of the standout aspects of MDCW is its completely free registration, made possible by the generous sponsorship of industry and academic partners. This eliminates financial barriers for students and early-career researchers.As Dr. Petr Vozka emphasized:“The registration is completely free, thanks to the generous support of our sponsors. Attendees also get lunch, dinner, coffee, and drinks every day.”<h5>Global Accessibility</h5>MDCW alternates locations between Europe and the United States, enhancing accessibility for international researchers. This geographical rotation ensures that:<ul><li>Scientists from multiple continents can participate over time.</li><li>Institutional and regional barriers to access are minimized.</li></ul><h5>Comprehensive Coverage of Chromatographic Techniques</h5>The conference is not limited to one method. It incorporates presentations and discussions on GC, LC and SFC. This broad scope ensures that MDCW remains a key venue for cutting-edge separation science.<h4>Community and Collaboration</h4><h5>An Atmosphere of Support and Innovation</h5>MDCW is highly regarded for its welcoming and collaborative culture. Attendees often form long-term professional relationships and research collaborations that persist beyond the event.As Dr. Vozka described:“The atmosphere is incredibly supportive and collaborative. People genuinely root for each other, and many long-term partnerships grow out of these interactions.”<h5>Real-World Collaborations</h5>Dr. Vozka shared a personal example of the value of these connections:“I met <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/articles?search=Katelynn+Perrault">Dr. Katelynn Perrault </a>at my first MDCW. We started collaborating and now she’s one of my mentors. We talk almost regularly about research.”<h4>Commitment to Open Access and Digital Sharing</h4><h5>Recordings and Posters Available Online</h5>MDCW’s commitment to accessibility extends beyond the physical event. <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/companies/218">All presentations and posters are made available online</a> via the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/1">LabRulez</a> platform, contributing to the global exchange of scientific knowledge.<ul><li>Open-access approach encourages knowledge sharing.</li><li>Attendees can revisit sessions and share content with peers.</li></ul>Note: Presenters who prefer not to share their data publicly are fully respected, and their materials are not posted without consent.<h4>Growing Popularity and Future Outlook</h4><h5>A Rapidly Expanding Event</h5>The most recent edition of MDCW saw record attendance and abstract submissions, indicating its rising prominence and influence in the field of multidimensional chromatography.“This past year was especially exciting,” said Dr. Vozka. “It shows how fast the conference is growing.”<h4>Upcoming Event Details</h4>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/events/787">17th MDCW</a> is scheduled for:<ul><li>📅 Date: January 13–15, 2026</li><li>📍 Location:&nbsp;Williamsburg, Virginia, USA</li></ul>With its established reputation and growing community, MDCW 2026 is expected to deliver another impactful event.<h5>How to Get Involved</h5><ul><li>Visit the official website: <a target="_blank" rel="noopener noreferrer" href="https://www.multidimensionalchromatography.com">MultidimensionalChromatography.com</a></li><li>Explore previous content: Watch <a target="_blank" rel="noopener noreferrer" href="https://www.youtube.com/playlist?list=PLg-M6fM-05MrGrDggkl_UKzzcHPWPmssh">session recordings</a> and browse <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=366">poster archives</a> on YouTube and the website of LabRulez</li><li>Engage with the community: Follow MDCW updates on academic and social media platforms.</li></ul><h4>Conclusion</h4>The Multidimensional Chromatography Workshop (MDCW) is more than just a scientific meeting — it is a community of scholars and practitioners committed to advancing separation science in a collaborative, inclusive, and highly accessible manner.From the zero-cost registration to the atmosphere of open mentorship and the global reach of its content, MDCW offers unmatched value to researchers at all stages of their careers.Whether you're a student just beginning your journey or an established expert seeking meaningful collaborations, MDCW is a must-attend event.<blockquote><h5>About the Speaker</h5>Dr. Petr Vozka is an expert in chromatography and a returning organizer and participant at MDCW. His experience and enthusiasm for the workshop reflect the values of inclusivity, knowledge sharing, and scientific advancement that define the event.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/VSCHT_Petr_Vozka_1329d3773e.jpg" alt="VŠCHT: Petr Vozka" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_VSCHT_Petr_Vozka_1329d3773e.jpg 143w," sizes="100vw" width="917" height="1000"></blockquote>

Why MDCW Is the Premier Conference in Chromatography

Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 7th July 2025? Check out new documents from the field of liquid phase, especially HPLC and LC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT LCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">LabRulezGCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you application note by Agilent Technologies and posters by Shimadzu / ASMS, Thermo Fisher Scientific / ASMS and Waters Corporation / ASMS!<h3>1. Agilent Technologies: Rapid and Sensitive Analysis of Antifungal Agents in Human Serum Using the Agilent 6475 LC/TQ</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_antifungal_human_serum_5994_8338en_agilent_89f89cb4dc.pdf">Full PDF for download</a></li></ul>In addition to minimizing drug-related toxicity, TDM has been hailed as a key step to prevent the emergence of drug resistance. The growing number of invasive fungal infections creates a ripple effect on the rapid advancement of TDM for antifungal agents. Increasing evidence confirms the critical role of TDM in preventing and treating antifungal infections.1 The RECIPE ClinMass TDM kit system for antimycotics in serum (Munich, Germany) was used on a 6475 LC/TQ for the analysis of eight antifungal agents. This application note demonstrates the evaluation and validation of the RECIPE TDM kit, covering sensitivity, linearity, and robustness across five consecutive days (n =&nbsp;5). Quick and simple sample preparation was implemented, providing high-throughput monitoring of antifungal agents in biological&nbsp;samples.<h4>Experimental</h4><h5>Instrumentation</h5><ul><li>Liquid Chromatography System&nbsp;<ul><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?manufacturerItems=1&amp;search=Agilent+1290+Infinity+II">Agilent 1290 Infinity II</a> High-Speed Pump&nbsp;</li><li>Agilent 1290 Infinity II Multisampler&nbsp;</li><li>Agilent 1290 Infinity II Multicolumn Thermostat&nbsp;</li></ul></li><li>Mass Spectrometry System&nbsp;<ul><li>Agilent <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?manufacturerItems=1&amp;search=6475+LC%2FTQ">6475 LC/TQ &nbsp;</a></li><li>Agilent Jet Stream Technology Ion Source (AJS)</li></ul></li></ul><h5>Method&nbsp;</h5>The optimization of multiple reaction monitoring (MRM) transitions for analytes and ISTDs was carried out using Auto MRM Optimizer in the Agilent MassHunter acquisition software to provide optimal sensitivity and selectivity. Data were processed using the Agilent <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?manufacturerItems=1&amp;search=MassHunter+Qualitative+Analysis+software">MassHunter Qualitative Analysis software</a>, version B.12, and Agilent <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?manufacturerItems=1&amp;search=MassHunter+Quantitative+Analysis+software">MassHunter Quantitative Analysis software</a>, version B.12.<h4>Results and discussion&nbsp;</h4>Figure 2 shows the chromatograms of quantifier MRM transitions for the eight antifungal agents at the lowest calibration level. Six out of eight antifungal agents had good chromatographic separation across the run time. The retention times of two antifungals, posaconazole and hydroxy-itraconazole, were slightly overlapped. Despite this overlap, measurement integrity can still be maintained due to MRM selectivity.<h4>Conclusion&nbsp;</h4>A fast and sensitive analysis of eight antifungal agents in serum was validated on an Agilent 6475 triple quadrupole LC/MS. By employing a ready-to-use RECIPE ClinMass TDM kit, this method demonstrates accurate and precise quantitation of antifungal agents in biological samples. Additionally, the streamlined sample preparation method allows high throughput analysis of up to 350 samples per day.<h3>2. Shimadzu / ASMS: Robustness Evaluation of PFAS Analysis in Soil Using LC-MS/MS</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ASMS_25_WP_137_e932b391c7.pdf">Full PDF for download</a></li></ul>Per- and polyfluoroalkyl substances (PFAS) are widely used in various fields and industries. However, due to their structural stability and resistance to degradation, they accumulate in the environment and are suspected of being harmful to humans. PFAS in soil can accumulate in the human body via agricultural products, thus it is essential to develop sensitive and robust analytical methods for the detection of PFAS in soil with complex matrices.1 This study shows a robustness evaluation by adding 30 PFAS to a soil matrix and using the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?manufacturerItems=3&amp;search=LCMS-8060RX">LCMS-8060RX</a> to measure these PFAS in the soil matrix 500 consecutive times.<h4>Methods&nbsp;</h4>For this analysis, LC-MS/MS equipped with a newly designed ESI source was used, and a delay column was installed between the mixer and the autosampler to inhibit the effects of PFAS contamination from the LC system. Six points calibration curves were built, and each calibration point was measured 3 times. A soil sample was prepared referring to part of the soil preparation procedures published by the National Agricultural and Food Research Organization. 2 Thirty PFAS compounds were spiked to the soil sample at 0.1 μg/L after pretreatment and 500 soil sample analyses were performed for the robustness evaluation. This sample contains more than 90% soil matrix. QC samples were also analyzed after every 20 injections of the soil samples.<h4>Conclusion</h4>The <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?manufacturerItems=3&amp;search=LCMS-8060RX">LCMS-8060RX</a> performed 500 consecutive measurements of 30 PFAS spiked to a soil matrix sample. The results showed good peak area repeatability, good peak shapes, and good recovery. The newly designed ESI source showed excellent robustness, and stable analysis was achieved over a long period, even for samples with complex matrices.<h3>3. Thermo Fisher Scientific / ASMS: Evaluation of a modified Orbitrap Astral Mass Spectrometer for label-free quantitation of proteomic samples</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/PO_439_ms_ASMS_25_Astral_Zoom_LFQ_po439_na_en_c1a0b2a11e.pdf">Full PDF for download</a></li></ul>The demand for high-throughput proteomics analysis of complex samples is continually increasing, focusing on greater analysis depth and improved precision and accuracy in quantitation. Label-free quantitation of very complex proteomic samples poses significant challenges for mass spectrometers, requiring faster and more efficient processing of eluting peptide ions and their fragments. The new Orbitrap Astral Zoom mass spectrometer addresses these challenges, offering a higher acquisition rate by improved ion optics switching times and faster ion transfer, higher sensitivity due to ion pre-accumulation, and enhanced spectral processing, leading to deeper coverage with higher confidence.<h4>Materials and methods</h4><h5><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/398">Vanquish Neo</a>: Direct injection mode using 25cm x 75 μm ID Aurora Ultimate TS column (IonOpticks)&nbsp;</h5><ul><li>High loads: 37min gradient; 4-45%B and injection-to-injection time 48min (30SPD)&nbsp;</li><li>Low loads: 20min gradient; 1-40%B and injection-to-injection time 28min (50SPD)&nbsp;</li></ul><h5>Mass Spectrometer: <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/836">Orbitrap Astra</a>l and <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1959">Orbitrap Astral Zoom&nbsp;</a></h5><ul><li>Orbitrap (MS1) and Astral (MS2) detectors&nbsp;</li><li>Orbitrap: 240K; m/z range 380-980; AGC 500%; max IT 5ms&nbsp;</li><li>NCE 25; Thermo Scientific FAIMS Pro Duo (low loads): -48V; gas 3.5 L/min</li><li>Astral: DIA; window size depending on loads (in the tables below); m/z 150-2000; AGC 800% (low loads) or 100% (high loads); max IT depending on load; cycle time: 0.6s&nbsp;</li></ul><h5>Data Processing&nbsp;</h5><ul><li>Spectronaut® v19.5 Direct DIA, 6 files (2 x 3 replicates) processed together for each load; all other settings were default&nbsp;</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1782">Thermo Scientific Proteome Discoverer software </a>3.3.0.54, CHIMERYS 4.0.21</li><li>Human, E.coli, and Yeast FASTA (all w/o isoforms) from UniProt; normalization by Human FASTA</li></ul><h4>Results (High Loads)</h4>The new Orbitrap Astral Zoom mass spectrometer takes advantage of ion preaccumulation in the bent trap, increasing the effective MS2 injection time. Its reduced ion transfer overheads result in a higher MS2 acquisition rate of up to 270 scans per second. Additionally, an enhanced spectral processing algorithm was implemented to deconvolute overlapping spectral features in MS2, for better handling spectra with increased spectrum density.&nbsp;Using Orbitrap Astral Zoom MS and Spectronaut® 19.5 software, there was a 12-17% increase in IDs at the precursor level, 10-15% at the peptide level (stripped sequence), and 4-9% at the protein groups level. With Proteome Discoverer software, the gain was 12-19% at the DIA precursor level, 12-17% at the peptide level, and 4-7% at the protein group level. The increase in identifications was primarily observed for low-abundant species. Orbitrap Astral Zoom mass spectrometer also yielded, on average, a 15% higher median number of MS2 data points per peak, while maintaining consistently high quantitation precision and accuracy at the MS2 level.<h4>Conclusions</h4>The novel Orbitrap Astral Zoom mass spectrometer demonstrates improved performance for qualitative and quantitative analysis of complex proteomics samples over a wide range of sample loads spanning four orders of magnitude, from 100 pg to 1µg.<h3>4. Waters Corporation / ASMS: Investigating Fire Fighter and E-waste Handlers Exposure to PFAS Using Liquid Chromatography and Cyclic Ion Mobility Mass Spectrometry</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720008883_21620a6293.pdf">Full PDF for download</a></li></ul>PFAS are persistent environmental pollutants linked to health risks, including cancer. Monitoring their levels in human biofluids provides insight into exposure pathways. However, the analysis of PFAS isomers is technically challenging due to their structural similarity. To overcome this, the study employs LC coupled with cyclic ion mobility mass spectrometry (LC-cIM-MS) using the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/202">Waters SELECT SERIES Cyclic IMS</a>, which adds a new separation dimension for better specificity.<h4>Methods</h4>Serum samples from Ghanaian firefighters and E-waste workers were prepared using solid-phase extraction (SPE) on 96-well µElution plates. A 22-minute reversed-phase LC gradient was used for separation. The Cyclic IMS system, with ion mobility resolution R~65 and 145, enabled non-targeted PFAS analysis, including the generation of collision cross section (CCS) values to support compound identification.<h4>Results</h4><ul><li>PFAS compounds such as PFOS, PFHxS, PFHpS, PFNA, and 6:2 FTS were identified in real serum samples.</li><li>The cyclic IMS allowed for the separation of coeluting isobaric compounds, such as PFOS isomers and cholic acid biomarkers, minimizing false identifications (Figure 3).</li><li>Figure 4 lists CCS values and other parameters for PFAS standards and identified analytes from a firefighter serum sample.</li><li>Figure 5 shows ion mobility conformeric profiles for PFNA, enabling reliable identification even at low signal intensities.</li></ul><h4>Conclusion</h4>The LC-cIM-MS method:<ul><li>Significantly improves specificity in PFAS identification.</li><li>Enables both targeted and untargeted detection of known and unknown PFAS in complex human samples.</li><li>Can be a key part of future occupational and environmental exposure assessments.</li></ul>

News from LabRulezLCMS Library - Week 28, 2025

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 14th July 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you posters by Agilent Technologies / ASMS, Shimadzu / ASMS, presentation by Liège University / MDCW and technical note by Thermo Fisher Scientific!<h3>1. Agilent Technologies / ASMS: Optimizing Hydrogen Carrier Gas on GC/MS Using the HydroInert EI Source and 5Q Columns&nbsp;</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ps_gc_gc_5q_columns_ei_source_asms_2025_mp_358_en_agilent_c5cf1876f0.pdf">Full PDF for download</a></li></ul>Hydrogen is widely recognized for its benefits in gas chromatography (GC), including cost-effective generation in the lab, rapid chromatography, and higher sample throughput. However, its reactivity can lead to hydrogenation and dechlorination reactions in the mass spectrometer electron ionization (EI) source, complicating its application in many scenarios. To address these issues, Agilent has developed a specially designed extractor source for the Inert Plus GC/MSD and triple quadrupole GC/MS systems, enhancing performance with hydrogen carrier gas. The Agilent HydroInert source maintains mass spectral fidelity and allows users to utilize existing helium-based mass spectral libraries.This study investigates how the 5Q series of columns impact the performance and durability of the HydroInert source tune. The study involved cycling through 10,000 oven temperature ramps without any injections to assess the effects of column bleed from the 5Q phase. Furthermore, the study examined how the combination of sample matrix and column bleed from the 5Q phase affects source longevity.<h4>Experimental</h4><h5>HydroInert Functionality with 5Q Columns (no Injection)&nbsp;</h5>An experiment was designed to investigate the effects of ultra low bleed columns (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?instrumentationItems=19&amp;manufacturerItems=1&amp;search=HP-5Q">HP-5Q</a>) on the functionality of the HydroInert source over time. A method simulating a large oven temperature ramp cycle (Table 1) over 12 minutes was created. The syringe was removed from the ALS tower to simulate injections, but to isolate the source of siloxanes to column bleed from the HP-5Q only. 10,000 injections were executed, and a system tune was performed every 100 injection to monitor source parameter shifts.The Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=7000E">7000E</a> was run in SCAN mode, scanning from 50-450 m/z during each run. Air leaks were detected and immediately remedied when found to ensure the experiment was free from oxides. Liner and septum were not changed during this experiment.<h4>Results and Discussion</h4><h5>HydroInert Functionality with 5Q Columns (no Injection)&nbsp;</h5>Results of the effects of 10,000 oven temperature cycles on the HydroInert source tune parameters are shown in Figure 2. Repeller and ion body voltages are set automatically by the tune algorithm to maximize the transference of ion on the 7000E. Throughout the 10,000 injections the ion body voltage remained stable. The EM voltage gain across 10,000 injections was as expected. The source was in use for 120,000 minutes during this study and data was being collected throughout the duration of the study in SCAN mode. During this study, three leaks were detected at the MS transfer line and were corrected as soon as they were detected. The leaks are reflected in the spike in O2 percentage. A new ion body will typically have a voltage of 16-22 V on a HydroInert source. When an ion body begins to lose functionality the ion body voltage will begin to rise to compensate for the loss. Eventually the ion body voltage tops out at 29-30 V and the tune begins to show lower abundance of tune ions, until the source fails to tune. In the current study the ion body voltage was set by the tune algorithm between 19-24 V. This is a stable and normal operating range for the ion body. It is important to remember that a single elevated ion body tune is not cause for concern, there needs to be a trend of elevation over time. The overall purpose of this first study was to examine what baseline changes would occur to the HydroInert tune parameters when using a 5Q column in leak free conditions. Water and oxygen are known to speed the liberation of column bleed, which in turn reduces the functionality of the HydroInert source. This study shows that under leak free conditions, with a 5Q column, the HydroInert source can function optimally for an extended period. This study adds to a growing body of evidence that has demonstrated one of the main factors in HydroInert longevity is leak state of the system.<h4>Conclusions</h4>Agilent HydroInert source longevity is dependent on application and method conditions. However, by using the best practices highlighted above, the longevity of HydroInert parts can be prolonged. The HydroInert source cannot be mechanically or chemically cleaned, thus when source parts show reduced functionality, replacement of the recommended parts is required to restore functionality. Replacement intervals will be method and application dependent.<h3>2. Liège University / MDCW: MOSH&amp;MOAH in food ingredients and additives and the advantages of using LC/GC×GC(-FID/TOFMS) for their analysis&nbsp;</h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/FL_02_2025_MDCW_AG_MOSH_MOAH_additives_a05df36b39.pdf">Full PDF for download</a></li></ul>This presentation by Aleksandra Gorska and colleagues (Gembloux Agro-Bio Tech) addresses the analysis of MOSH (mineral oil saturated hydrocarbons) and MOAH (mineral oil aromatic hydrocarbons) in food ingredients and additives, particularly those derived from oils and fats. These contaminants are widespread in the food chain due to packaging, lubricants, or storage conditions. While MOSH can accumulate in human tissues, MOAH—especially those with three or more aromatic rings—pose genotoxic risks. The European Food Safety Authority (EFSA) has recently emphasized a lack of data on such impurities in food additives.To fill this gap, the researchers developed and applied an advanced analytical workflow based on HPLC-GC×GC-FID/TOFMS, replacing the traditional HPLC-GC-FID approach. This multidimensional technique combines high-resolution separation with both flame ionization detection (FID) and time-of-flight mass spectrometry (TOFMS), allowing detailed structural characterization, efficient removal of interfering compounds, and the ability to separate MOAH by the number of aromatic rings.Key benefits of the HPLC-GC×GC-FID/TOFMS system include clearer chromatograms with structured elution patterns, improved purification and separation of complex MOAH profiles, and identification of contamination markers such as DIPN (indicating migration from recycled packaging). Additionally, the system enables simultaneous quantification of MOAH and polycyclic aromatic hydrocarbons (PAHs), which have distinct analytical requirements and toxicological profiles.The study concludes that, despite its complexity, the HPLC-GC×GC-FID/TOFMS technique provides substantial analytical advantages and aligns with EFSA’s recommendations. It offers a powerful tool for ensuring food safety in products containing oil- or fat-derived additives, enabling more accurate risk assessments and source tracking of contamination.<h3>3. Shimadzu / ASMS: Highly sensitive and efficient analysis of aroma components using trapped Headspace GC-MS&nbsp;</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ASMS_2025_MP_352_97902375e7.pdf">Full PDF for download</a></li></ul>The aroma composition of foods has been the subject of considerable research in recent years. It is well known that the presence of volatile compounds and their composition determine the specific aroma of foods and the flavor of the resulting products. Static headspace technique enables high sensitivity analysis of volatile compounds, normally extracting 1 mL of headspace. But in situations where it is necessary to evaluate the total chemical profile, it is known that components in small quantities also affect the overall aroma. Thus, the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=HS-20+NX">HS-20 NX</a> was used running in "Trap mode", where by using trapped headspace sampling, it is possible to extract much more volume and analyze, not only the majority components, but all the compounds with high sensitivity.&nbsp;The system used to achieve the highest sensitivity is the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=HS-20+NX">HS-20 NX</a> coupled to the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=GCMS-QP2020+NX">GCMS-QP2020 NX</a> single quadrupole mass spectrometer.<h4>Results and Discussion</h4>After the incubation time, the acquisitions were done by loop mode and trap mode with 3- and 5-times sample concentration. In this way, it is possible to analyze, via trap, the presence of compounds at trace levels, which cannot be observed when analyzed in loop mode. 18 compounds could be identified in the sample when analyzed in loop mode, whereas in trap mode, 35 were identified.Some components such as benzene acetaldehyde, gammacaprolactone, methyl butyrate, o-guaiacol, that have a decisive influence on the overall aroma and flavor were detected only in the trap mode, due to their low concentrations in the sample. Even concentrating the sample 5-times in the trap, it was possible to detect these compounds that require greater sensitivity along with compounds present in high concentrations in the sample, such as butanoic acid, acetic acid, and others, without losing analysis efficiency.<h4>Conclusion</h4>The improvement in analysis sensitivity when using trap mode can be observed when comparing the area for some components with a major impact on the overall aroma but present in small quantities. When concentrating the sample 3-times in the trap, the peak intensities increased from 351.17 to 1401.08%. And it was still possible to have a significant increase of another 168%, on average, by concentrating the sample 5-times. The peak intensities increased from 521.48 to 2517.86% compared to loop mode analysis.&nbsp; These analyses demonstrate that trapped headspace can be used to determine an overall aroma profile in a single analysis and with a single trapping material. The trapped headspace sampler enables ultra sensitivity analysis, identifying compounds at low concentrations which were undetectable with conventional headspace samplers.<h3>4. Thermo Fisher Scientific: Data-driven GC and GC-MS instrument monitoring with SmartStatus intelligent software</h3><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/tn_001883_gc_ms_gc_ms_ms_smartstatus_tn001883_na_en_99ce72eef2/tn-001883-gc-ms-gc-ms-ms-smartstatus-tn001883-na-en.pdf">Full PDF for download</a></li></ul>Rising costs can significantly impact an analytical laboratory’s profit margin, and it is crucial to maintain productivity and ensure maximum asset utilization to stay competitive. To balance increased overhead costs, including analytical gases and staff pay, laboratories must ensure that analytical instrumentation consistently produces results, without interruption. Re-analyzing entire runs due to drops in sensitivity, unnecessary downtime, and underutilization of consumables is expensive and time consuming.&nbsp;Thermo Scientific™ SmartStatus™ instrument tracking can help laboratories realize additional cost savings. This is done by using data-driven insights to accurately determine when to perform maintenance and replace consumables and parts, so that the system consistently runs smoothly for all samples and meets specifications in the initial analysis. This ensures that consumables and parts are replaced on the correct schedule and avoids excess instrument downtime.&nbsp;SmartStatus instrument tracking is an intelligent instrument health software that allows users to track key aspects of their GC-MS system. It is available as standard on the Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/483">TRACE™ 1600 GC series,</a> Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/487">AI/AS 1610 liquid autosampler</a>, Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/484">ISQ™ 7610 GC-MS series</a>, and the Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/485">TSQ™ 9610 GC-MS/MS series</a>. In this technical note, the new SmartStatus instrument tracking capabilities are highlighted with examples of how it can enable analytical laboratories to keep instruments producing consistent results.<h4>SmartStatus software overview&nbsp;</h4>SmartStatus intelligent software, available within Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/76">Chromeleon™ Chromatography Data System (CDS)</a>, allows monitoring of the entire analytical system including Thermo Scientific™ autosamplers, GC, GC detectors (FID and TCD), and mass spectrometers (MS). Hundreds of key instrument parameters are monitored by SmartStatus software, which provides real-time data and insights informing the user to potential problems before they arise to ensure maximum instrument uptime. This allows users to make informed decisions on which parts of the analytical system require attention and when. By performing preventative maintenance using data-driven guidance, optimal instrument performance is sustained day in and day out. Figure 1 shows the SmartStatus software overview page for a TSQ 9610 triple quadrupole MS coupled to a TRACE 1610 GC and AI/AS 1610 liquid autosampler. This overview page allows a user to quickly determine if the system is ready to run or requires attention.&nbsp;For more information on instrument status, there is a detailed view for each part of the system. This next level view shows how many injections have been performed for the various GC consumables, the lifetime of the MS detector and filament, and when the last tune was performed. Figure 2 shows an example of the GC and MS parameters and how they are monitored. Each parameter is represented as a counter gauge. As the usage increases, the gauge changes color to quickly notify the user of any maintenance that is required or will be needed soon. This allows users to plan maintenance in advance to fit it around their schedule and workload. SmartStatus instrument tracking can be monitored directly in Chromeleon CDS, and consumables usage can also be monitored directly on the TRACE 1610 GC touch screen through the dedicated instrument health icon, as shown in Figure 3.The ISQ 7610 GC-MS and the TSQ 9610 GC-MS/MS detector lifetime is monitored using a predictive algorithm. This assesses the voltages on the detector and predicts the lifetime remaining on the system so that preventative maintenance can be planned. As the ISQ 7610 GC-MS and TSQ 9610 GC-MS/MS are equipped with the XLXR™ electron multiplier detector as standard, the lifetime of the detector is several years.1 By monitoring the detector intelligently, users can avoid unnecessary downtime. Figure 4 shows monitoring of the detector within SmartStatus software.

News from LabRulezGCMS Library - Week 29, 2025

If you have been following my <a target="_blank" rel="noopener noreferrer" href="https://concentratingonchromatography.com/">Concentrating on Chromatography podcast</a>, you know that I am constantly searching for the cutting edge of separation science. After years of interviewing the brightest minds in the field, it has become clear to me that the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/218">Multidimensional Chromatography Workshop (MDCW)</a> is undeniably the best up-and-coming event in our industry.While I was unfortunately traveling in Asia during the most recent session, I was able to catch every detail thanks to the incredible work of <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/1">LabRulez</a>. A huge thank you to Ivo Novotný and the LabRulez team for providing <a target="_blank" rel="noopener noreferrer" href="https://www.youtube.com/playlist?list=PLg-M6fM-05MrGrDggkl_UKzzcHPWPmssh">Open Access video presentations</a> of the event. Their <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/">portal </a>is an invaluable resource for anyone who needs to find technical information quickly and efficiently.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Organomation_MDCW_The_Premier_Up_and_Coming_Event_in_Chromatography_2_65b378bf01.jpg" alt="Organomation: MDCW: The Premier Up-and-Coming Event in Chromatography" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Organomation_MDCW_The_Premier_Up_and_Coming_Event_in_Chromatography_2_65b378bf01.jpg 245w," sizes="100vw" width="1044" height="455"><h3>The Minds Behind the Magic</h3>I have had the privilege of featuring the core organizers of MDCW on my podcast, including <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/articles?search=Katelynn+Perrault+Uptmor">Katelynn Perrault Uptmor</a>, <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/articles?search=Dwight+Stoll">Dwight Stoll</a>, and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/articles?search=Petr+Vozka">Petr Vozka</a>. Their dedication to creating a space where forensic chemistry, environmental analysis, and metabolomics intersect is what makes this workshop so unique. The event is a perfect showcase for how multidimensional techniques—like GC×GC and 2D-LC—are essential for tackling the world's most complex samples.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Organomation_MDCW_The_Premier_Up_and_Coming_Event_in_Chromatography_265c9ec21e.jpg" alt="Organomation: MDCW: The Premier Up-and-Coming Event in Chromatography" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Organomation_MDCW_The_Premier_Up_and_Coming_Event_in_Chromatography_265c9ec21e.jpg 245w," sizes="100vw" width="792" height="230"><h3>Where Sample Prep Meets High-Resolution Analysis</h3>As we often discuss at Organomation, even the most advanced chromatographic systems depend on meticulous sample preparation. Two presentations highlighted in the LabRulez playlist perfectly illustrate the critical role of <a target="_blank" rel="noopener noreferrer" href="https://www.organomation.com/what-is-solvent-evaporation">solvent evaporation</a> and <a target="_blank" rel="noopener noreferrer" href="https://www.organomation.com/what-is-sample-concentration">sample concentration</a>.<h3>Chemical Fingerprints: Emma Macturk’s Quest for Hidden Data</h3><a target="_blank" rel="noopener noreferrer" href="https://www.youtube.com/watch?v=1W5197sp6IY">Emma Macturk</a>, working in Dr. Katelynn Perrault Uptmor’s lab, is redefining how we look at one of the oldest forms of forensic evidence: the fingerprint. While traditional forensics relies on the physical patterns of ridges and whorls, these are often incomplete or smudged in real-world scenarios. Emma’s research shifts the focus to the chemical residue left behind, which can provide vital "class characteristics" like the biological sex and relative age of a suspect.Her optimized workflow is a masterclass in handling complex biological matrices. Using a cotton swab to extract residue from surfaces, the samples are centrifuged and then "<a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/article/5392">blown down</a>" (a critical concentration step for any trace analysis) before <a target="_blank" rel="noopener noreferrer" href="https://www.organomation.com/what-is-reconstitution">being reconstituted for GC×GC-TOFMS</a>.What makes her work truly fascinating—and highly relevant for our readers at Organomation—is the discovery of anthropogenic compounds. Emma identified UVB blockers like octocrylene and various moisturizers hidden within the natural sterols and fatty acids of the skin. The power of multidimensional chromatography allows forensic scientists to resolve these external "lifestyle" markers from endogenous skin compounds, potentially providing a much more detailed profile of a suspect than a physical print ever could.<h3>The "Green" Revolution: Grace Saunders and the Future of Ballistics</h3><a target="_blank" rel="noopener noreferrer" href="https://www.youtube.com/watch?v=ClD4fjZMNtA">Grace Saunders</a> addressed a looming crisis in forensic ballistics: the shift toward "green ammunition." For decades, the gold standard for detecting gunshot residue (GSR) has been SEM-EDS, which looks for heavy metals like lead, barium, and antimony. However, modern environmental and health standards are leading manufacturers to omit these metals. This means that traditional standards are failing to identify GSR in cases involving green rounds.Grace’s research proposes a dual-pronged approach, using GC×GC to target Organic Gunshot Residue (OGSR). Her liquid extraction protocol is meticulous: samples are extracted in methanol, "<a target="_blank" rel="noopener noreferrer" href="https://www.organomation.com/what-is-evaporation-to-dryness">evaporated to dryness under nitrogen</a>," and then reconstituted. This ensures that volatile and semi-volatile nitroaromatic compounds, such as nitroglycerin and diphenylamine, are concentrated enough for detection.By optimizing parameters like the modulation period (2.5 seconds) and switching to hydrogen carrier gas, Grace was able to resolve these critical markers from the complex background "noise" of human skin. Her work isn't just about better chemistry; it’s about legal survival. As she noted, forensic methods must meet Federal Rule 702 for admissibility in court. Without the organic profiling Grace is developing, evidence from a "green" firearm discharge might never make it past a judge.<h3>The Future of Chromatography</h3>The workshop also featured brilliant presenters like <a target="_blank" rel="noopener noreferrer" href="https://www.youtube.com/watch?v=YJm_JwHbArE">Ryland Giebelhaus</a>, whose work on the metabolomics of cannabis exposure during pregnancy shows the real-world impact of these technologies.The MDCW isn't just another conference; it is a community-driven powerhouse that bridges the gap between proof-of-concept and field-ready applications. Whether you are looking for advanced data reduction strategies or the latest in high-resolution mass spectrometry, this is the event to watch.<blockquote>If you missed it this year like I did, I highly recommend visiting the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?search=MDCW">LabRulez portal</a> to see the full breadth of research presented!</blockquote>

MDCW: The Premier Up-and-Coming Event in Chromatography

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MDCW: The Premier Up-and-Coming Event in Chromatography

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