<p><strong>The Preliminary Program is available below.</strong></p>
<ul>
<li><a href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/15mdcw_guidebook_final_99c11401e3/15mdcw_guidebook_final.pdf"><strong>15th MDCW 2024 - Guidebook</strong></a></li>
<li><a href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/abstract_book_15mdcw_final_010224_3d8a7b7258/abstract_book_15mdcw_final-010224.pdf"><strong>15th MDCW 2024 - Abstract book</strong></a></li>
</ul>
<p>The Guidebook and the Abstract book can be downloaded when available. The Guidebook contains the program and all other pertinent conference information.</p>
<blockquote>
<p><strong>Historical content from the workshop can be found on YouTube via the LabRulez platform: <a href="https://www.youtube.com/playlist?list=PLg-M6fM-05MrGrDggkl_UKzzcHPWPmssh"> 14 MDCW Content (LabRulez)</a></strong></p>
</blockquote>
<p><strong>Thank you to our sponsors for making this event possible</strong>. It is your generous support that enriches the conference program and allows us to operate the conference with <strong>free registration for all attendees</strong>.</p>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/MDCW_Sponzors_and_Partners_15th_Multidimensional_Chromatography_Workshop_MDCW_2024_b46a541625/MDCW-Sponzors-and-Partners-15th-Multidimensional-Chromatography-Workshop-(MDCW)-2024.jpg" alt="MDCW: Sponzors &amp; Partners: 15th Multidimensional Chromatography Workshop (MDCW) 2024"/></p>
<blockquote>
<h3><strong>Sponsors 2024</strong></h3>
<ul>
<li><strong>SepSolve Analytical</strong></li>
<li><a href="https://gcms.labrulez.com/library?instrumentationItems=2&amp;manufacturerItems=24"><strong>JEOL</strong></a></li>
<li><a href="https://gcms.labrulez.com/library?instrumentationItems=2&amp;manufacturerItems=25"><strong>LECO</strong></a></li>
<li><a href="https://gcms.labrulez.com/library?mainauthorItems=41&amp;search=GC+image"><strong>GC Image</strong></a></li>
<li><strong>SpectralWorks</strong></li>
<li><a href="https://gcms.labrulez.com/library?instrumentationItems=2&amp;manufacturerItems=9"><strong>Restek</strong></a></li>
<li><strong>NSF CREST CATSUS</strong></li>
<li><strong>OFFICE OF RESEARCH, SCHOLARSHIP AND CREATIVE ACTIVITIES</strong> (CAL STATE LA)</li>
<li><strong>SIKAND SITI CENTER</strong> (CAL STATE LA)</li>
<li><a href="https://gcms.labrulez.com/library?mainauthorItems=3"><strong>Thermo Fisher Scientific</strong></a></li>
<li><a href="https://gcms.labrulez.com/library?mainauthorItems=40"><strong>Trajan Scientific</strong></a></li>
<li><strong>Vici</strong></li>
<li><strong>Chemistry matters</strong></li>
</ul>
<h4><strong>MEDIA PARTNERS 2024</strong></h4>
<ul>
<li><strong>The Analytical Scientist</strong></li>
<li><a href="https://gcms.labrulez.com/"><strong>LabRulezGCMS</strong></a></li>
<li><a href="https://lcms.labrulez.com/"><strong>LabRulezLCMS</strong></a></li>
<li><strong>LCGC</strong></li>
</ul>
</blockquote>
<h3><strong>Preliminary Program</strong></h3>
<h4><strong>WEDNESDAY January 10, 2024</strong></h4>
<h5><strong>8:30 - 9:00 AM</strong> Registration</h5>
<h5><strong>9:00 - 9:30 AM Opening Remarks</strong></h5>
<h5><strong>9:30 - 10:00 AM KL-1 - From research to routine analysis - the role of GC×GC in the regulatory space</strong></h5>
<ul>
<li>Sarah Prebihalo</li>
</ul>
<h5><strong>10:00 - 10:30 AM KL-2 - Two-dimensional liquid chromatography for small molecule pharmaceutical analysis – more knowledge in less time</strong></h5>
<ul>
<li>Qinggang Wang</li>
</ul>
<h5><strong>10:30 - 11:00 AM</strong> Coffee Break</h5>
<h5><strong>11:00 - 11:20 AM O-1 - Applications of multi-dimensional liquid chromatography in modern day pharmaceuticals</strong></h5>
<ul>
<li>CJ Venkatramani</li>
</ul>
<h5><strong>11:20 - 11:40 AM O-2 - Essential separations: analysis of aroma oils by one-dimensional and two-dimensional gas chromatography and mass spectrometry</strong></h5>
<ul>
<li>Robert Cody</li>
</ul>
<h5><strong>11:40 - 12:00 PM O-3 - Developing a breath test to diagnose valley fever, an endemic fungal pneumonia</strong></h5>
<ul>
<li>Emily Higgins</li>
</ul>
<h5><strong>12:00 - 1:30 PM</strong> Lunch (<strong>Sponsored by JEOL</strong>)</h5>
<h5><strong>1:30 - 1:50 PM O-4 - Sampling body odor for healthcare monitoring: how to avoid the pitfalls of individual&#39;s odor variations and contaminations by the sampling environment</strong></h5>
<ul>
<li>Elsa Boudard</li>
</ul>
<h5><strong>1:50 - 2:10 PM O-5 - A holistic view of river water quality using passive sampling and GC×GC–TOFMS</strong></h5>
<ul>
<li>Matthew Edwards</li>
</ul>
<h5><strong>2:10 - 2:30 PM O-6 - Non-target screening and contaminant profiling of house dust collected across Europe by comprehensive two-dimensional gas chromatography - mass spectrometry and multi-variate statistical evaluation</strong></h5>
<ul>
<li>Peter Haglund</li>
</ul>
<h5><strong>2:30 - 2:50 PM O-7 - Chemical characterization of the aircraft cabin environment utilizing GC×GC-TOFMS and hard and soft ionization</strong></h5>
<ul>
<li>Kevin Hayes</li>
</ul>
<h5><strong>2:50 - 4:00 PM</strong> Coffee Break and Poster session</h5>
<h5><strong>4:00 - 5:30 PM Guided Discussion 1 - Advantages and Limitations of GC×GC in Government and Industrial Laboratories</strong></h5>
<h5><strong>6:30 PM Networking Event (Food sponsored by Chemistry Matters Inc)</strong></h5>
<h4><strong>THURSDAY January 11, 2024</strong></h4>
<h5><strong>8:30 - 9:00 AM</strong> Registration</h5>
<h5><strong>9:00 - 9:30 AM Opening Remarks</strong></h5>
<h5><strong>9:30 – 10:00 AM KL-3 - On-line multi-dimensional LC/MS: the next-generation tool for real-time monitoring of antibody quality attributes in biopharmaceutical processes</strong></h5>
<ul>
<li>Tomas Bouvarel</li>
</ul>
<h5><strong>10:00 - 10:30 AM KL-4 - From wildfire origins to courtroom verdicts: Exploring arson investigations with multi-dimensional chromatography</strong></h5>
<ul>
<li>Gwen O&#39;Sullivan</li>
</ul>
<h5><strong>10:30 - 11:00 AM</strong> Coffee Break (<strong>Sponsored by SepSolve Analytical</strong>)</h5>
<h5><strong>11:00 - 11:20 AM O-8 - Don’t let the reality of GC×GC-MS data burst your bubble! Or how the &amp;@$#%^&amp; am I supposed to manage all these bits and bytes?!?</strong>*</h5>
<ul>
<li>James Harynuk</li>
</ul>
<h5><strong>11:20 - 11:40 AM O-9 - Streamlining group type analysis with standard GC×GC templates through computer vision-assisted alignment</strong></h5>
<ul>
<li>Daniel Geschwender</li>
</ul>
<h5><strong>11:40 - 12:00 PM O-10 - Chromatographic and statistical workflows for GC×GC-MS data processing</strong></h5>
<ul>
<li>Scott Campbell</li>
</ul>
<h5><strong>12:00 - 1:30 PM</strong> Lunch (<strong>Sponsored by Cal State LA’s California Forensic Science Institute</strong>)</h5>
<h5><strong>1:30 - 1:50 PM 0-11 - Off-line LC×SFC-HRMS/MS method for the non-target analysis of depolymerised lignin</strong></h5>
<ul>
<li>Eliise Tammekivi</li>
</ul>
<h5><strong>1:50 - 2:10 PM 0-12 - Using two-dimensional gas chromatography for determining biogenic components in renewable transportation fuel blends</strong></h5>
<ul>
<li>Rafal Gieleciak</li>
</ul>
<h5><strong>2:10 - 2:30 PM 0-13 - Alkene quantification in plastic waste-derived alternative fuels using GC×GC-FID</strong></h5>
<ul>
<li>Genesis Barzallo</li>
</ul>
<h5><strong>2:30 - 2:50 PM 0-14 - Characterization and quantitative hydrocarbon group-type analysis of plastic-derived pyrolysis oils by GC×GC-TOFMS/FID</strong></h5>
<ul>
<li>Christina Kelly</li>
</ul>
<h5><strong>2:50 – 3:00 - Cutting the ribbon: A visit inside the LECO Complex Chemical Composition Analysis Laboratory</strong></h5>
<ul>
<li>Petr Vozka</li>
</ul>
<h5><strong>3:00 - 4:00 PM</strong> Coffee Break and Poster Session</h5>
<h5><strong>4:00 - 5:30 PM Guided Discussion 2 - Standard Reference Test Mixture for Comprehensive Two-Dimensional Gas Chromatography</strong></h5>
<h5><strong>6:00 PM Wine Tasting Event (Sponsored by LECO)</strong></h5>
<h4><strong>FRIDAY January 12, 2024</strong></h4>
<h5><strong>8:30 - 9:00 AM</strong> Registration</h5>
<h5><strong>9:00 - 9:10 AM Opening Remarks</strong></h5>
<h5><strong>9:10 - 9:40 AM O-15 Robert Synovec - Expanding the scope of tile-based GC×GC–TOFMS data analysis</strong></h5>
<h5><strong>9:40 - 10:10 AM O-16 - Workflow democratization of comprehensive two-dimensional gas chromatography – high-resolution time-of-flight mass spectrometry data</strong></h5>
<ul>
<li>Michael Sorochan Armstrong</li>
</ul>
<h5><strong>10:10 - 10:45 AM</strong> Coffee &amp; Brunch</h5>
<h5><strong>10:45 - 11:05 AM O-17 - Investigating sensory-classified roasted arabica coffee with GC×GC-TOFMS and chemometrics to understand potato taste defect</strong></h5>
<ul>
<li>Caitlin Cain</li>
</ul>
<h5><strong>11:05 - 11:25 AM O-18 - Exploring the cup of coffee using GC×GC-MS combined with multiple combination of headspace extractions</strong></h5>
<ul>
<li>Michael Wilde</li>
</ul>
<h5><strong>11:25 - 11:45 AM O-19 - Advancing fingerprint deposition modeling through the integration of comprehensive two-dimensional gas chromatography and time-of-flight mass spectrometry for age estimation</strong></h5>
<ul>
<li>Elena Mosham</li>
</ul>
<h5><strong>11:45 - 12:00</strong> AM Break</h5>
<h5><strong>12:00 - 12:20 PM O-20 Cai Huamin - Direct flow modulation method for comprehensive two-dimensional gas chromatography</strong></h5>
<ul>
<li>Cai Huamin</li>
</ul>
<h5><strong>12:20 - 12:40 PM O-21 - LC×SFC valve technologies: guidelines towards a successful online modulation</strong></h5>
<ul>
<li>Margaux Sanchez</li>
</ul>
<h5><strong>12:40 - 1:00 PM O-22 - Extending analyte boiling point range using thinner film porous layer open tubular columns paired with GC×GC-MS</strong></h5>
<ul>
<li>Lina Mikaliunaite</li>
</ul>
<h5><strong>1:00 - 1:20 PM O-23 - Introducing automated online multicolumn two-dimensional liquid chromatography screening as a rapid and efficient tool for method development of multiple pipeline modalities</strong></h5>
<ul>
<li>Heather Wang</li>
</ul>
<h5><strong>1:20 – 1:40 PM</strong> Closing</h5>
<h5><strong>1:40 PM Food Truck Farewell</strong></h5>
<h3><strong>POSTER LIST</strong></h3>
<h5><strong>P-1 Development of a fisher ratio contrast metric for simultaneous discovery of compounds indicating either molding kinetics or bean geographical region in moisture damaged cocoa beans</strong></h5>
<ul>
<li>Lina Mikaliunaite</li>
</ul>
<h5><strong>P-2 Multi-omics workflow for blood serum screening using GC×GC-TOFMS</strong></h5>
<ul>
<li>Pierre-Hugues Stefanuto</li>
</ul>
<h5><strong>P-3 From data to decisions: using novel software tools for automated pairwise comparison of GC×GC data</strong></h5>
<ul>
<li>Matthew Edwards</li>
</ul>
<h5><strong>P-4 Assessment of exhaled breath voc stability on TENAX® GR thermal desorption tubes</strong></h5>
<ul>
<li>Trenton Davis</li>
</ul>
<h5><strong>P-5 Characterization and comparison of fresh and dried herbs with GC, GC×GC, and TOFMS</strong></h5>
<ul>
<li>Elizabeth Humston-Fulmer</li>
</ul>
<h5><strong>P-6 Comparison of new and used vacuum pump oil using two-dimensional gas chromatography and high-resolution time-of-flight mass spectrometry</strong></h5>
<ul>
<li>Kirk Jensen</li>
</ul>
<h5><strong>P-7 Non-targeted analysis of environmental samples using comprehensive gas chromatography (GC×GC-) with high-resolution time-of-flight mass spectrometry (HRTOFMS)</strong></h5>
<ul>
<li>David Alonso</li>
</ul>
<h5><strong>P-8 Identifying putative volatile biomarkers for S. aureus methicillin-resistant and small-colony variant subtypes</strong></h5>
<ul>
<li>Daniela Gutierrez-Munoz</li>
</ul>
<h5><strong>P-9 Automated QC pooling by thermal desorption tube recollection of gaseous mixtures for metabolomic studies</strong></h5>
<ul>
<li>Allison Ferranti</li>
</ul>
<h5><strong>P-10 Identifying the primary sources of variance in a breath biomarker experiment</strong></h5>
<ul>
<li>Darakshan Zabin</li>
</ul>
<h5><strong>P-11 A feasibility study of sample recollection in the analysis of selected volatile organic compounds in breath samples using GC×GC-ToFMS</strong></h5>
<ul>
<li>Nina Nouribakikomarolya</li>
</ul>
<h5><strong>P-12 Development and application of a web-based simulator for two-dimensional liquid chromatography separations</strong></h5>
<ul>
<li>Dwight Stoll</li>
</ul>
<h5><strong>P-13 Flow modulated GC×GC in combination with atmospheric pressure mass spectroscopy using the SICRIT ionization source</strong></h5>
<ul>
<li>Taylor Hayward</li>
</ul>
<h5><strong>P-14 Comparison of diesel samples measured by using GC×GC-HRTOFMS</strong></h5>
<ul>
<li>John Dane</li>
</ul>
<h5><strong>P-15 Optimization of headspace solid-phase microextraction of bronchoalveolar lavage samples from people with cystic fibrosis and method evaluation</strong></h5>
<ul>
<li>Antao Gao</li>
</ul>
<p><em>The poster list will be updated with last minute posters.</em></p>
<h4><strong>Keynote Speakers 2024</strong></h4>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/MDCW_Keynote_Speakers_2024_Dr_Gwen_O_Sullivan_Dr_Sarah_Prebihalo_Dr_Qinggang_Wang_Dr_Thomas_Bouvarel_1d428b3bb9/MDCW-Keynote-Speakers-2024-Dr.-Gwen-O'Sullivan-Dr.-Sarah-Prebihalo-Dr.-Qinggang-Wang-Dr.-Thomas-Bouvarel.jpg" alt="MDCW: Keynote Speakers 2024: Dr. Gwen O&#39;Sullivan, Dr. Sarah Prebihalo, Dr. Qinggang Wang, Dr. Thomas Bouvarel"/></p>
<h5><strong>Dr. Gwen O&#39;Sullivan</strong></h5>
<ul>
<li>Professor &amp; Vice Dean Research &amp; Scholarship, Mount Royal University</li>
</ul>
<p><strong>Title of Keynote Lecture: From Wildfire Origins to Courtroom Verdicts: Exploring Arson Investigations with Multidimensional Chromatography</strong></p>
<p>Gwen is an environmental chemist specializing in Environmental Forensics, particularly in wildfire forensics, arson investigation, air monitoring, and risk assessment. She combines analytical chemistry and environmental science to study the origins and behavior of pollutants and their environmental impacts.  Over the course of her career, in industry, consultancy, and academia, Gwen has developed technical expertise in the areas of wildfire forensics, environmental chemistry, environmental forensics, air quality, and contaminated land and groundwater. She has worked environmental forensic investigations involving compounds of concerns including ignitable liquids, drilling fluids, petroleum hydrocarbons, polycyclic aromatic hydrocarbons, polychlorinated biphenlys, polychlorinated dibenso-p-dioxins and dibenzofurans, methane, and nitrates. She has also authored numerous scientific articles, edited book series, and successfully competed for research grants both nationally and internationally.​</p>
<h5><strong>Dr. Sarah Prebihalo</strong></h5>
<ul>
<li>Chemist, U.S. Food and Drug Administration</li>
</ul>
<p><strong>Title of Keynote Lecture: From research to routine analysis - The role of GC×GC in the regulatory space</strong></p>
<p>​​​Sarah Prebihalo is a Chemist at the U.S. Food and Drug Administration in Maryland as a part of the Office of Regulatory Science at the Center for Food Safety and Applied Nutrition (CFSAN). Sarah worked as a laboratory technician at Procter and Gamble for 2 years after obtaining her Bachelor’s in Chemistry, before moving to Pennsylvania to obtain her Masters in Forensic Chemistry at Penn State. In 2015 she began working towards her PhD in Chemistry at the University of Washington in Seattle, which she obtained in 2020. After completing a 2 year postdoctoral fellowship at the U.S. Food and Drug Administration, she transitioned to her current role as Chemist and is involved in non-targeted method development for foods and dietary supplements using GC×GC. ​</p>
<h5><strong>Dr. Qinggang Wang</strong></h5>
<ul>
<li>Scientific Director, Chemical Process Development, Bristol Myers Squibb</li>
</ul>
<p><strong>Title of Keynote Lecture: Two-dimensional liquid chromatography for small molecule pharmaceutical analysis – more knowledge in less time</strong></p>
<p>​​​Qinggang Wang, Ph.D., is a Scientific Director in Chemical Process Development in Bristol-Myers Squibb Company.  He received his B.S. in Chemistry and Ph. D. in Analytical Chemistry from Tsinghua University, Beijing, China.  His work has been focused on CMC analytical supports for various projects within BMS portfolio, inclding small molecules, synthetic peptides and oligonuleotides.  He has authored or co-authored 18 peer-reviewed publications and three book chapters in analytical science. His research focuses on application of novel analytical techniques to pharmaceutical analysis.  He is the recipient of BMS BMSIARC award for outstanding achievement in analytical science in 2019.</p>
<h5><strong>Dr. Thomas Bouvarel</strong></h5>
<ul>
<li>Senior Scientist, Department of Analytical Protein Chemistry, Genentech</li>
</ul>
<p><strong>Title of Keynote Lecture: On-line Multi-Dimensional LC/MS: The Next-Generation Tool for Real-Time Monitoring of Antibody Quality Attributes in Biopharmaceutical Processes</strong></p>
<p>Thomas Bouvarel is currently Senior Scientist in the Department of Analytical Protein Chemistry at Genentech (a member of Roche group) in South San Francisco, California. He received his Ph.D. in analytical chemistry from Sorbonne University, France. After completing a postdoctoral fellowship at the University of Geneva, Switzerland, he joined Genentech. His research involves the development and implementation of novel multi-dimensional liquid chromatography methodologies for the characterization and on-line monitoring of biomacromolecules.</p>
<h3><strong>Guided Discussion Groups 2024</strong></h3>
<h5><strong>Advantages and Limitations of GC×GC in Government and Industrial Laboratories</strong></h5>
<ul>
<li>Haleigh Boswell (Chevron Technology Center)</li>
<li>Sarah Prebihalo (U.S. Food and Drug Administration)</li>
</ul>
<p>​Comprehensive gas chromatography (GC×GC) is a common technique used in government and industrial laboratories; however, it has struggled to gain widespread acceptance due to perceived complexity and a lack of standardized and validated methods. Furthermore, the technique is not directly comparable to historical data sets and previously used analytical techniques. Overcoming these challenges and limitations in non-academic laboratories is a critical aspect of research by experts and advanced GC×GC users. Advanced users must be vocal advocates, highlighting the advantages of GC×GC in cases where the additional separation data can be advantageous. By addressing the benefits and limitations of this technique, this discussion will aim to address how we may elevate GC×GC in industrial and government laboratories, including, but not limited to, the role of obtaining employment in these sectors, allowing for further integration into the GC×GC community.</p>
<h5><strong>Preliminary Results in the Development of a System Performance Standard Reference Test Mixture for Comprehensive Two-Dimensional Gas Chromatography</strong></h5>
<ul>
<li>Jean-Marie D. Dimandja (FDA/ORA)</li>
<li>Pierre-Hugues Stefanuto (University of Liege)</li>
</ul>
<p>GC×GC system performance is influenced by many parameters, including modulator type, column set, detection method, and data processing software. This discussion will be focused on the development of a standard test mixture that can be used to compare GC×GC system performance across instruments and laboratories.</p>


15th MDCW 2024 (Preliminary Program)

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 18th November 2024? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you applications and posters by <strong>Agilent Technologies</strong>, <strong>Thermo Fisher Scientific</strong>,<strong> Metrohm</strong>,<strong> </strong>and <strong>Shimadzu</strong>!</p><h4><strong>1. Agilent Technologies: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/5991_9356_EN_590f86441b.pdf"><strong>Determination of Carbonate Solvents and Additives in Lithium Battery Electrolyte Using the Agilent 5977B GC/MSD</strong></a></h4><ul><li>Application</li></ul><p><strong>Abstract</strong></p><p>This application note describes a method for determining carbonate solvents and additives in lithium battery electrolyte using the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=5977B"><strong>Agilent 5977B</strong></a> single quadrupole gas chromatography/mass selective detector (GC/MSD). In this method, direct liquid injection is adopted. At a split ratio of 20:1, the target compounds achieved good linearity in a concentration range of 10–500 mg/L. This method has excellent reproducibility, and the instrument detection limits (IDL) for all of the 15 target compounds analyzed were below 1.3 mg/L. During the analysis of the actual electrolyte samples, diluted injection can be used to accurately quantify the target compounds and qualitatively identify unknown additives or impurities.</p><p><strong>Introduction</strong></p><p>Lithium battery electrolyte is the carrier of ion transport in a lithium battery, which is generally composed of lithium salt and organic solvent. In the electrolyte, the commonly used lithium salt is LiPF<sub>6</sub> , and the solvent is a binary, ternary, or multinary system composed of a mixture of cyclic carbonates and chain carbonates. Selecting the right organic electrolyte is the key to achieving a higher energy density, a longer cycle life, and greater battery safety. Lithium battery manufacturers also add specific additives to extend battery life. Therefore, studies on the composition of lithium battery electrolyte play an important role in the development of new lithium batteries.</p><p>GC/MS analysis is commonly used in the studies on lithium battery electrolyte, and can accurately and quantitatively analyze the major components of the organic solvent in the electrolyte. Meanwhile, the strong qualitative capacity of mass spectrometry can also qualitatively identify and analyze unknown additives and impurities.</p><p>This application note describes the method for determining carbonate and carboxylate solvents and additives in lithium battery electrolyte using the 5977B GC/MSD. In regard to the fact that LiPF<sub>6</sub> , the main component of the electrolyte, is unstable and can easily decompose, diluted injection was adopted, which ensured good sensitivity, linearity, and reproducibility.</p><p><strong>Conclusion</strong></p><p>In this application note, a method for analyzing carbonate solvents and additives in lithium battery electrolyte was developed with an Agilent 7890 GC and Agilent 5977B GC/MSD. The method is easy to use, and can achieve great separation, a wide linear range, and excellent reproducibility and sensitivity<br>for various components in the electrolyte, making it very suitable for qualitative and quantitative analysis of organic solvents, additives, and impurities in lithium battery electrolyte.</p><h4><strong>2. Shimadzu / </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/292"><strong>AOAC</strong></a><strong>: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Th_P264_ASMS_poster_pesticide_GC_MSMS_beb4879814.pdf"><strong>Simultaneous Analysis of Pesticides in Food With GC-MS/MS Using Hydrogen Carrier Gas</strong></a></h4><ul><li>Poster / <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Th_P264_ASMS_poster_pesticide_GC_MSMS_beb4879814.pdf"><strong>AOAC</strong></a></li></ul><p><strong>Introduction</strong></p><p>In GC-MS/MS analysis, helium gas is generally used as the carrier gas; however, in recent years the shortage of supply and the soaring price of helium gas have resulted in a need to pivot to other options. To address this problem, hydrogen gas is being used as an alternative carrier gas. The characteristics of hydrogen gas are different from those of helium gas, however, and methods using helium gas must be adjusted to appropriate conditions for hydrogen gas. We have developed a quantitative analysis method for 216 pesticides with GC-MS/MS using hydrogen gas. Using this method, good recovery results were obtained in food samples.</p><p><strong>Conclusions</strong></p><p>Using hydrogen gas as an alternative carrier gas, we simultaneously analyzed 216 food-borne agrochemicals using an ultra-sensitive triple-quadrupole mass spectrometer <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=GCMS-TQ8050+NX"><strong>GCMS-TQ8050 NX</strong></a> combined with AOC-30i and AOC-20s U as injectors.</p><p>Good recovery rate within 70 ~ 120% were obtained for 70% to 74% of the compounds. This system enables simultaneous analysis of multiple pesticides with high sensitivity and accuracy.</p><h4><strong>3. Thermo Fisher Scientific / </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/170"><strong>RAFA</strong></a><strong>: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/PFAS_analysis_strategy_story_direct_injection_DLLME_LC_MS_MS_LC_Orbitrap_GC_Orbitrap_7592743c1a.pdf"><strong>PFAS analysis strategy story – direct injection, DLLME, LC-MS/MS, LC- Orbitrap / GC-Orbitrap</strong></a></h4><ul><li>Poster / <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/170"><strong>RAFA</strong></a></li></ul><h5><strong>Abstract</strong></h5><p><strong>Purpose: </strong>This work summarizes key components of PFAS analysis. The choice between direct injection and automated sample preparation depends on the instrument's dynamic range, detection limits, and matrix complexity. Complex matrices like waste/industrial water, soil, food, and biological samples require specific preparation techniques to mitigate matrix effects and ensure accurate quantification. Techniques such as Dispersive Liquid-Liquid Microextraction (DLLME) can significantly improve concentration factors and reduce matrix interference, enhancing overall method performance. Additionally, the choice of the analyzer is a critical consideration.</p><p><strong>Methods:</strong> Direct injection of water sample was performed on Thermo Scientific TSQ Altis Plus triple quadrupole mass spectrometer. For those sample prepared with automated dispersive liquid-liquid microextraction (DLLME), acquisition was performed on a Thermo Scientific <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=Orbitrap+Exploris+MX"><strong>Orbitrap Exploris MX</strong></a> high resolution mass spectrometer.</p><p><strong>Results:</strong> The methods presented achieves high-level sensitivity for PFAS analysis in drinking water, detecting compounds in the low ng/L range. Using DLLME, 56 PFAS compounds were quantified to low part per trillion levels from just 15 mL of sample. With a FAPAS®-Drinking Water proficiency test, we validated the<br>three strategies for PFAS analysis: direct injection on TSQ Altis Plus and the DLLME extract injected on both Orbitrap Exploris MX and Thermo Scientific Orbitrap Exploris GC.</p><h5><strong>Conclusions</strong></h5><ul><li>Compared to traditional SPE workflows, direct injection improves sample throughput in laboratories by significantly reducing the required sample preparation.</li><li>The DLLME method is a promising technique for extracting and pre-concentrating PFAS from drinking water and various other matrices. Its reduced sample volume facilitates easier handling, transportation, and storage.</li><li>Both methods lower costs and environmental impact due to minimal solvent usage and the elimination of filters or SPE cartridges.</li><li>The ease of use and robustness of both LCMS methods are based on fixed configuration including SOP with detailed hardware and consumables, a complete acquisition and processing method with customized view settings and reports, and all data handling performed with Chromeleon CDS 7.3.2.</li></ul><h4><strong>4. Metrohm: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_nir_121_download_0bb1185dc9.pdf"><strong>Water content in propylene glycol monomethyl ether (PGME)</strong></a></h4><ul><li>Application</li></ul><h5>Water determination possible within seconds using NIRS</h5><p>Propylene glycol monomethyl ether (1-methoxy-2-propanol, or PGME) is one of many glycol ether solvents with a wide variety of applications. It is used as an intermediate and in formulations for industrial, professional, or consumer applications, mainly in surface coatings, inks for printing, cleaning solutions, deicing/anti-icing formulations, and agrochemical purposes. It is also used as an extractant and as a coalescing agent and flow improver in water-based paints.</p><p>Water in propylene glycol methyl ether is usually measured by Karl Fischer (KF) titration which requires chemicals and takes about five minutes per determination. This Application Note describes how near-infrared spectroscopy (NIRS) can be used as a faster and more cost-efficient alternative for water determination in PGME.</p><p><strong>CONCLUSION</strong></p><p>This Application Note demonstrates the feasibility to determine a key parameter for the quality control of propylene glycol monomethyl ether (water content) with NIR spectroscopy. The main advantages of NIR spectroscopy over wet chemical methods are that running costs are significantly lower and time-to-result is significantly reduced. Additionally, no chemicals are required, and the technique is non-destructive to samples.</p>

News from LabRulezGCMS Library - Week 47, 2024

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 25th November 2024? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you applications and other documents by <strong>Agilent Technologies</strong>, <strong>Thermo Fisher Scientific</strong>,<strong> Shimadzu</strong>, and a poster from <strong>Analytica </strong>by<strong> LECO</strong>!</p><h4><strong>1. Thermo Fisher Scientific: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/AN_003378_Determination_of_sulfur_containing_compounds_formaldehyde_and_organic_halides_in_hydrogen_37d3ef50c9.pdf"><strong>Determination of sulfur-containing compounds, formaldehyde, and organic halides in hydrogen for proton-exchange membrane fuel cell vehicles</strong></a></h4><ul><li>Application</li></ul><p><strong>Goal</strong></p><p>The goal of this application note is to demonstrate a suitable analytical method that can be applied for the determination of sulfur-containing compounds, formaldehyde, and organic halides in hydrogen used for proton-exchange membrane fuel cell vehicles in compliance with the Chinese regulation (GB/T 37244-2018) by using thermal desorption coupled to gas chromatography-mass spectrometry and sulfur chemiluminescence detection (SCD).</p><p><strong>Introduction</strong></p><p>The past energy crisis and global warming led researchers to find alternative cleaner and emission-free energy sources. Hydrogen has been identified as a very promising energy carrier or fuel due to its exceptional energy per mass content. The proton-exchange membrane fuel cell (PEMFC) has garnered considerable attention and represents a breakthrough technology for automotive applications due to its capability to convert hydrogen and oxygen into electricity with only water as a by-product. Studies have shown that impurities such as CO, CO<sub>2</sub>, NH<sub>3</sub>, formaldehyde, halogenated compounds, and sulfur-containing compounds in hydrogen can cause serious damage to the performance of PEMFC by reducing its service life. Therefore, an accurate assessment of hydrogen purity is extremely important. This application note is focused on the determination of sulfur-containing compounds, formaldehyde, and organic halide impurities in hydrogen gas.</p><p><strong>Conclusion</strong></p><p>The results obtained in this study demonstrated that the Markes UNITY–CIA <i>Advantage-xr</i> pre-concentrator combined with the TRACE 1610 GC equipped with the SCD detector and connected to an ISQ 7610 single quadrupole mass spectrometer provides a highly performing solution for selective and sensitive analysis of some critical hydrogen impurities in compliance with the requirements of the Chinese regulation.</p><ul><li>R<sup>2</sup> values were ≥ 0.995 for all the investigated compounds with linear ranges from 0.1 to 10 nmol/mol for sulfur-containing compounds, from 1 to 400 nmol/mol for formaldehyde, and from 1 to 100 nmol/mol for organic halides, with RSD of response factors well below the<br>acceptance limit of 30%.</li><li>LODs calculated as 3.143 × S<sub>0</sub> resulted close to 0.01 nmol/mol for sulfur-containing compounds, 0.04 nmol/mol for formaldehyde, and between 0.06 and 0.095 nmol/mol for organic halides.</li><li>Peak area repeatability was &lt;12% for all the target analytes.</li></ul><h4><strong>2. Shimadzu: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00745_en_c333797ed9.pdf"><strong>Analysis of Diethylene Glycol in Glycerin Using Brevis GC-2050</strong></a></h4><ul><li>Application</li></ul><p><strong>User Benefits</strong></p><ul><li>The compact Brevis GC-2050 allows for high-throughput analysis by increasing the number of operational units in the lab.</li><li>Despite its small size, the Brevis GC-2050 achieves uncompromised analytical performance, enabling the analysis of concentrated glycerin in compliance with pharmacopeial standards.</li></ul><p><strong>Introduction</strong></p><p>In response to the issue of contamination in pharmaceuticals and toothpaste with diethylene glycol, certain parts of the Japanese Pharmacopoeia were revised through Ministry of Health, Labour and Welfare Notification No. 32 (February 21, 2008). In Application News G259 “Analysis of Diethylene Glycol in Glycerin,” a measurement example conforming to the pharmacopoeial requirements is introduced using GC-2010. While each country has its own official methods, this application conducted measurements on a Brevis GC-2050 under<br>conditions where the Split/Splitless injection unit (SPL) temperature was set higher, taking into consideration that the sample component has a high boiling point, with reference to the Japanese Pharmacopoeia.</p><p><strong>Conclusion</strong></p><p>A sample was prepared for the analysis of concentrated glycerin as described in the Japanese Pharmacopoeia, and the analysis was conducted by the condition specified in the Japanese Pharmacopoeia. Good separation and reproducibility were confirmed.</p><h4><strong>3. Agilent Technologies: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ebook_gcms_faq_5994_7643en_agilent_d81a1e0189.pdf"><strong>GC and GC/MS Frequently Asked Questions</strong></a></h4><ul><li>Guide</li></ul><p><strong>Table of Contents</strong></p><p>In this eBook, you’ll find answers to the questions that Agilent technical experts hear most often from our GC and GC/MS customers. To instantly access the information you need, click the following links or use the navigation tabs at the bottom of each page.</p><p><strong>General Knowledge</strong></p><ul><li>How does chromatography work?</li><li>Why is GC column polarity important?</li><li>What is the significance of GC column dimensions?</li><li>What are the basic principles and mechanisms of GC/MS?</li><li>How do chemical and electron impact ionization differ?</li><li>What is the difference between standard, mass spec, and Ultra Inert columns?</li><li>What is headspace and how does it work?</li><li>What is the difference between split and splitless?</li><li>How do I choose the right carrier gas for my detector?</li><li>What should I consider when using hydrogen as an alternate to helium carrier gas?</li><li>How does the Agilent HydroInert source preserve spectral fidelity with hydrogen carrier gas?</li><li>What solvent is best for liquid injection on GC/MS?</li></ul><p><strong>Maintenance</strong></p><ul><li>How often should I change columns?</li><li>How often should I change liners?</li><li>How do I check for leaks?</li><li>When should I replace the filaments?</li><li>Can preslit vial cap septa prevent septa leakage into the inlet or sample?</li><li>I use the MS with complex matrices every day. Should I tune daily or weekly?</li><li>What chemicals should I use to perform a standard instrument check?</li><li>When replacing and conditioning a column, should I install it into the MS?</li><li>How does JetClean maximize instrument uptime and productivity?</li><li>How do I prevent loss of column efficiency and resolution?</li></ul><p><strong>Method Development and Optimization</strong></p><ul><li>How do I develop methods in MRM/SRM mode?</li><li>How do I select an internal standard (ISTD) for my GC/MS analysis?</li><li>How do I select the right MSD for my sample or analytical requirements?</li><li>How do I choose the right mass spectrometer?</li><li>What are the rules of thumb for choosing an inlet liner?</li><li>What is a good approach for analyzing unknown compounds?</li><li>Can I quantify GC/MS results in either scan or SIM mode?</li></ul><p><strong>Troubleshooting</strong></p><ul><li>How do I improve peak shape?</li><li>How do I improve resolution?</li><li>How do I improve signal-to-noise levels?</li><li>What causes spiking and how do I avoid it?</li><li>What can cause a negative peak in GC/MS?</li><li>Where do ghost peaks come from?</li><li>What can cause split peaks, peak tailing, and drifting baselines?</li><li>Why is water difficult to observe in GC and how can it be quantified using GC?</li><li>How do I determine the source of contamination within my chromatograph?</li></ul><h4><strong>4. LECO / </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/295"><strong>Analytica</strong></a><strong>: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Cannabis_Characterization_BT_G_Cx_GC_SA_CK_ANALYTIKA_SA_24_LPSS_317_edc6c55493.pdf"><strong>Cannabis Characterization Using GC and GCxGC with Time-of-Flight Mass Spectrometry</strong></a></h4><ul><li>Poster (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/295"><strong>Analytica</strong></a>)</li></ul><p>Cannabis is a complex plant containing a variety of naturally occurring organic compounds in a wide range of concentrations, as well as xenobiotics (i.e., polyaromatic hydrocarbons, pesticides, etc.). Among these constituents, the cannabinoids, terpenes, and terpenoids are commonly recognized for their therapeutic properties. This plant has two main subspecies—Cannabis indica and Cannabis sativa—that can be differentiated by their different physical<br>characteristics. Indica-dominant strains are short plants with broad, dark green leaves and have higher cannabidiol content than the sativa plants in which THC content is higher. Sativa-dominant strains are usually taller and have thin leaves with a pale green colour.</p><p>The legalization of this drug has also led to an increasing amount of consumer products being infused with CBD, marketed and sold for medicinal and recreational purposes. Thus, it is imperative that we are able to determine its total composition as this is important in determining potency and medical effectiveness (Entourage Effect). In this study, we use GC with Time-of-Flight Mass Spectrometry (TOF-MS) to assist in the determination of its risks and<br>benefits. This powerful tool provides chromatographic separation with high-quality deconvoluted mass spectral data allowing for comprehensive analysis, identification, and quantification of targeted and non-targeted analytes.</p><p><strong>Conclusion</strong></p><p>GCxGC-TOFMS facilitates compound identification, Library searches, and Mass ∆ calculations. Data was used to develop maps for quantitative analysis, cannabis classification, and sample comparison. Cannabis comparison via statistical processing was performed using ChromaTOF Tile (based on Fisher ratios) and could also perform PCA analysis.</p>

News from LabRulezGCMS Library - Week 48, 2024

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 2nd December 2024? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you applications by <strong>Agilent Technologies</strong> and <strong>Thermo Fisher Scientific</strong>,<strong> </strong>a poster from <strong>AOAC </strong>by<strong> Shimadzu</strong>,<strong> </strong>and a poster from<strong> ASMS </strong>by<strong> LECO</strong>!</p><h4><strong>1. Agilent Technologies: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_terpene_cannabis_gc_fid_5994_7684en_agilent_1_2d2cf2f631.pdf"><strong>Fast Analysis of 22 Terpenes in Hemp and Cannabis with the Agilent 9000 Intuvo GC with FID using Hydrogen Carrier Gas</strong></a></h4><ul><li>Application</li></ul><p><strong>Abstract</strong></p><p>This application note describes the procedure for the analysis of 22 common terpenes in cannabis and hemp using the Agilent Intuvo gas chromatograph (GC) and flame ionization detector (FID), with hydrogen carrier gas, and post column backflush. The GC injection‑to‑injection cycle time was 10 minutes allowing for six samples per hour. A group of 1,200 hemp samples were analyzed to test the robustness of the method, and to determine a maintenance schedule.</p><p><strong>Introduction</strong></p><p>Terpenes are the main flavor and aromatic components of cannabis and hemp. Strains can be identified by their specific fingerprint for these terpenes. The abundance of particular terpenes may also indicate the character and usefulness of a particular strain. This identification also allows cultivators to monitor the consistency of their particular strains from one crop to the next, and to maintain better quality control. With ever‑increasing varieties of cannabis flowers and the number of individual tests performed, the overall speed of analysis time has become more important.</p><p>Helium has been used as the carrier gas for most GC analyses. Recent limitations on its availability have added to the cost of testing. This application focuses on a fast and robust analysis of 22 of the most common terpenes found for strain identification, as well as providing information for labeling purposes. This application utilizes hydrogen carrier gas with flame ionization detection (FID) to help shorten the analysis time and therefore, keep the cost per sample down.</p><p><strong>Conclusion</strong></p><p>This method proved to be a very robust, high throughput method with a GC cycle time of only 10 minutes (6 samples/hour). This study showed that the regular maintenance of changing liners, septa, and Guard Chips when needed, maintained retention time and curve stability. The use of backflushing helped keep the Guard Chip and inlet cleaner and minimized maintenance.</p><p>All calibration curves showed great linear response across the concentration range, through all 12 calibration standards, as seen in Figure 3.</p><p>Reminders can be set up using counters to alert the analyst when maintenance is needed according to the user's desired sample load. Being careful to install the liner in the same fashion helps to keep the tolerance of the CCV results within the ± 20% limits. It is noted and shown in Figure 4 that there may be additional terpenes present in samples that are not covered by the terpenes in the standards for this application. If this is of concern, a more encompassing standard may be used. Also, using a mass spectral detector may be more beneficial for the application.<sup>2</sup> Other matrices may require a<br>revised maintenance schedule.</p><h4><strong>2. LECO / </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/296"><strong>ASMS</strong></a><strong>: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/NIST_LIBRARY_MATCH_QUALITY_HRT_MMS_CF_ASMS_24_LPSS_320_90d3c6e8c9.pdf"><strong>Evaluation of the NIST Library Matching Quality of Mass Spectra Generated by the GC-HR-TOFMS with Multi-Mode Ionization Source</strong></a></h4><ul><li>Poster (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/296"><strong>ASMS</strong></a>)</li></ul><p><strong>Introduction</strong></p><p>Comparison of electron ionization spectra against standardized libraries is a staple approach to compound identification in non-targeted GC-MS analysis. High-quality matches are central to the pace of, and confidence in, such analyses. Recent developments in gas chromatography high resolution mass spectrometry have progressed non-targeted analysis applications to a wide variety of studies. However, modern ion-optical design principles which allow gains in sensitivity and resolving power may inadvertently alter fragmentation patterns, which may in turn affect the reliability of automated comparisons against standard libraries. Thus, thorough evaluation and validation of the high-quality spectra matching to the standard libraries, like NIST, is necessary for comprehensive assessment of the promised benefits of new technologies.</p><p><strong>Conclusions</strong></p><p>This multi-mode ionization source, as assessed using these 207 diverse analytes, generates fragmentation patterns which align very well with the NIST spectral library. Across all analytes in standard solutions, the mean library match score was 935 and the standard deviation for this value was 24.2. Mean match scores were agreeable regardless of moieties present. Percent differences for MRPS #2 spiked into a Pu’er Tea and MRPS #8 spiked into a dietary supplement were - 3.75 % and -1.44 %, illustrating how the system can easily maintain spectral confidence even in complex matrices. Overall, this study suggests the electron ionization mode of this multi-mode ion source, in combination with its high-resolution time of flight mass analyzer, yields spectra in excellent agreement with the quadruple dominated NIST library.</p><h4><strong>3. Shimadzu / </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/292"><strong>AOAC</strong></a><strong>: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/aoac_2024_1_m034_5346b45c51.pdf"><strong>Qualification and Quantification of Residual Pesticides in Ginger by GCMS using Simultaneous Ultra-fast Scan and SIM</strong></a></h4><ul><li>Poster (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/292"><strong>AOAC</strong></a>)</li></ul><p><strong>Introduction</strong></p><p>Interest in food safety has grown, resulting in a trend of tightening global regulations for residual pesticides in produce. Selected Ion monitoring (SIM) in GC/MS is a common technique used for pesticide analysis while Scan mode is often used in non-targeted screening.</p><p>This study demonstrates a SIM analysis of pesticides, including calibration and repeatability in ginger root matrix. In addition to targeted analysis, in this work we performed simultaneous untargeted analysis with Ultra-fast Scan analysis, maximizing the use of the GCMS-QP2050. NIST library search results are shown for untargeted components.</p><p><strong>Conclusion</strong></p><p>The GCMS-QP2050 demonstrates sensitivity and reproducibility in analyzing pesticides in produce using SIM data obtained from simultaneous Scan/SIM analysis. Ultra-fast scan supports accurate identification of target compounds alongside SIM analysis without interference. Scan results provide MS spectrum patterns for identifying unknown compounds, assisting in non-target screening.</p><h4><strong>4. Thermo Fisher Scientific: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_002549_gc_ms_hesaver_h2safer_epa_1668_pcbs_an002549_na_en_4b122a7fbb.pdf"><strong>Environmental analysis of polychlorinated biphenyls (PCBs) at reduced running costs using hydrogen as carrier gas</strong></a></h4><ul><li>Application</li></ul><p><strong>Goal</strong></p><p>The aim of this application note is to compare the performance of the Thermo Scientific™ TSQ™ 9610 triple quadrupole mass spectrometer coupled to the Thermo Scientific™ TRACE ™ 1610 GC with hydrogen versus helium as the carrier gas for the determination of polychlorinated biphenyls. For guidance on the analytical performance of the proposed method, acceptance criteria as per U.S. EPA Method 1668 were considered.</p><p><strong>Introduction</strong></p><p>Polychlorinated biphenyls (PCBs) are a group of industrial organic chemicals consisting of carbon, hydrogen, and chlorine atoms. Due to their non-flammability, chemical stability, high boiling point, and electrical insulating properties, PCBs were used in hundreds of industrial and commercial applications including electrical, hydraulic equipment, plasticizers, plastics, rubber products, and dyes. The production of these compounds has been banned in the United States since 19771 because of their persistence in the environment and their tendency to enter the food chain and bioaccumulate in living organisms due to their lipophilicity.</p><p>There are currently 209 known PCBs congeners that can be divided into two groups according to their structural and toxicological characteristics:</p><ul><li>Non-dioxin-like PCBs (non-DL-PCBs), which represent the majority of the PCB congeners, are characterized by a lower degree of toxicity.</li><li>Dioxin-like PCBs (DL-PCBs) include the 12 most toxic congeners (non‐ortho PCBs 77, 81, 126, 169 and mono‐ortho PCBs 105, 114, 118, 123, 156, 157, 167, 189), which have structures and toxicities similar to dioxins.</li></ul><p>DL-PCBs are classified as persistent organic pollutants (POPs), and they have been regulated under the Stockholm Convention for POPs since 2001.<sup>2</sup> Following the Clean Water Act (CWA) in 1972, the United States Environmental Protection Agency (U.S. EPA) developed an analytical method, U.S. EPA Method 1668 and following revisions<sup>3</sup> that can be applied for the determination of PCBs in wastewater, surface waters, soil, sediments, biosolids, and tissue matrices using gas chromatography coupled to high-resolution gas chromatography/high-resolution mass spectrometry (HRGC/HRMS).<sup>3</sup> However,<br>recent advances in gas chromatography-triple quadrupole mass spectrometry allow for high sensitivity and selectivity, leading to the consideration of GC-MS/MS as a reliable tool for PCBs analysis.</p><p>This application note reproduces the experiments described in a previously published application note,<sup>4</sup> where polychlorinated biphenyls were analyzed using helium carrier gas. Here, helium was replaced by hydrogen. Additionally, the Thermo Scientific™ HeSaver-H<sub>2</sub>Safer™ carrier gas saving technology was applied. HeSaver-H<sub>2</sub>Safer technology offers a unique solution for laboratories to minimize carrier gas consumption during both standby and operational modes. When helium is used as carrier gas, the consumption can be drastically reduced without any changes to the analytical method or deterioration of performance. However, the Split-Splitless (SSL) injector modified to work in the HeSaver-H<sub>2</sub> Safer mode can be used also in conjunction with hydrogen as a carrier gas, where the limited and fixed carrier gas flow allows for safe usage without the need to install additional sensors. At the same time, the hydrogen gas consumption is equally reduced and will lead to further cost savings, allowing laboratories to run their instrumentation longer on a single gas tank or using gas generators.</p><p><strong>Summary</strong></p><p>The HeSaver-H<sub>2</sub>Safer inlet allows laboratories full flexibility to select the carrier gas of choice between helium and hydrogen, while achieving a significant reduction of the consumption. With a simple upgrade to the standard Thermo Scientific™ iConnect SSL injector, the HeSaver-H<sub>2</sub>Safer inlet allows for the use of an inert and inexpensive gas for inlet pressurization, whereas the main carrier gas flow is limited to the column flow only.</p><ul><li>The use of hydrogen as carrier gas has been demonstrated as an alternative to helium for the analysis of PCBs, reducing the overall cost of running the laboratory.</li><li>The use of the HeSaver-H<sub>2</sub>Safer inlet reduces the amount of hydrogen going into the gas chromatography system such that safe operation is assured anytime, and no hydrogen sensor is needed inside the GC oven.</li><li>Hydrogen did not affect the linearity range; all compounds showed a linear response from 0.1 to 2000 ppb, with avarage R 2 &gt;0.999.</li><li>The TSQ 9610 triple quadrupole mass spectrometer provided excellent IDLs with hydrogen carrier gas, comparable to those obtained with helium.</li><li>The variation of ion ratios was less than 12% for all PCBs at 0.05 ppb.</li></ul>

News from LabRulezGCMS Library - Week 49, 2024

Metabolomics and sensory evaluation of white asparagus ingredients in instant soups unveil important (off-)flavours

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 9th December 2024? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you applications and other documents by <strong>Agilent Technologies</strong>, <strong>Thermo Fisher Scientific</strong>,<strong> </strong>and<strong> Shimadzu</strong>!</p><h4><strong>1. Shimadzu: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/c146_e456_89137ab83b.pdf"><strong>Smart Metabolites Database Ver. 2</strong></a></h4><ul><li>Brochure</li></ul><p><strong>Supporting food development with newly added sugars and functional compounds</strong></p><p>The Smart Metabolites Database ™ is a GC-MS(/MS) database that contains the information needed for analyzing metabolic compounds. Ver. 2 contains an additional number of registered compounds, focusing on plant secondary metabolites, such as catechins and chlorogenic acids, that are garnering interest as functional compounds, for more expansive analysis of food samples. In total, the Smart Metabolites Database Ver. 2 enables simultaneous analysis of more than 600 compounds, making it a powerful tool for marker discovery in metabolomics analysis.</p><p>The database also offers dedicated methods for fatty acids, and sugars and provides total support for metabolic compound analysis.</p><p>This database was developed through guidance from the Shimane University Faculty of Medicine, Kobe University School of Medicine, the Institute for Integrated Cell-Material Sciences, Kyoto University, Hyogo College of Medicine and Graduate School of Engineering, Osaka University. Part of this database was obtained as a result of development work related to the project for "Development of fundamental technologies for promoting industrial application of human stem cells and development of fundamental evaluation technologies for practical application of human stem cells" commissioned by Japan's New Energy and Industrial Technology Development Organization (NEDO).</p><ul><li>Automated, Highly Sensitive Detection of Metabolic Compounds by MRM Measurement</li><li>Time and Labor Savings</li><li>Offers Quantitative Sugar Analysis</li><li>Total Support for Food Metabolomics Analysis</li></ul><h4><strong>2. Agilent Technologies: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_catalytic_ammonia_cracking_990_micro_gc_5994_7904en_agilent_63738c6157.pdf"><strong>Catalytic Ammonia Cracking: Reaction Monitoring Using the Agilent 990 Micro GC System</strong></a></h4><ul><li>Application</li></ul><p><strong>Abstract</strong></p><p>Ammonia (NH<sub>3</sub>) decomposition facilitates hydrogen production. Monitoring the reactants and contaminants of ammonia decomposition, including NH<sub>3</sub>, H<sub>2</sub>, N<sub>2</sub>, and H<sub>2</sub>O, is highly important for catalytic performance as well as activity measurements. In this work, an Agilent 990 Micro GC system configured with an Agilent CP‑Molsieve channel and an Agilent CP‑Volamine channel is demonstrated to analyze NH<sub>3</sub>, H<sub>2</sub>, N<sub>2</sub>, and H<sub>2</sub>O across a wide concentration range. Notably, the analysis can be completed within one minute. The method's performance, including repeatability, linearity, limit of detection (LOD) and carryover was evaluated, and the results were satisfactory.</p><p><strong>Introduction</strong></p><p>NH<sub>3</sub> has tremendous potential as a clean liquid fuel. NH<sub>3</sub> may play an essential role in the decarbonization of hard‑to‑abate sectors, such as shipping, power generation, and heavy‑duty transportation, which will accelerate the global journey to net zero and facilitate sustainable development.<sup>1</sup> Composed entirely of hydrogen and nitrogen, NH<sub>3</sub> itself can be employed as an energy source with the potential for zero "tailpipe" carbon emissions. NH3 can also be catalytically decomposed to its constituent elements as a convenient way to transport and store clean hydrogen.<sup>2</sup></p><p>The ammonia decomposition reaction (2NH<sub>3</sub> &amp; N<sub>2</sub> + 3H<sub>2</sub>) facilitates hydrogen (H<sub>2</sub>) and nitrogen (N<sub>2</sub>) production. Each mole of NH<sub>3</sub> generates two moles of gas (0.5 mol N<sub>2</sub>, 1.5 mol H<sub>2</sub>), creating a self‑dilution effect. As a result, a reactor at 50% conversion with an ultrahigh purity NH<sub>3</sub> feed will create an effluent stream containing only 33% NH<sub>3</sub>. Therefore, the conversion must be calculated using Equation 1.</p><p>Failure to calculate conversion using Equation 1 may lead to erroneous measurements of catalytic performance and can inflate the perceived activity (for example, 50 versus 67% conversion).</p><p>With the constant improvement of emission‑free, high‑energy‑density, ammonia‑based power solutions, there is a pressing need for monitoring reactants and contaminants. Monitoring devices should be capable of measuring the required components (NH<sub>3</sub>, H<sub>2</sub>, N<sub>2</sub>, and H<sub>2</sub>O) over a wide concentration range. Furthermore, these devices should have a short response time, be inert towards reactants, and, if possible, be able to monitor multiple reactor systems or lines.</p><p>For this work, a 990 Micro GC system was used to measure NH<sub>3</sub>, H<sub>2</sub>, N<sub>2</sub>, and H<sub>2</sub>O simultaneously. While the analysis of N<sub>2</sub> and H<sub>2</sub> using a Molsieve column in gas chromatography is well established, the methods for analyzing water and ammonia are less developed.</p><p>In previous studies, the basic analysis of NH<sub>3</sub> (up to concentrations of 20%) was demonstrated using a CP‑Volamine channel. In a six‑month robustness test, the 990 Micro GC system and the CP‑Volamine analytical channel both proved to be effective and durable over an extended period of time.<sup>3</sup> The J&amp;W CP‑Volamine column used in the channel is a relatively nonpolar column that is highly effective for the analysis of NH<sub>3</sub> or other polar components. A unique deactivation process is applied during manufacturing, which gives higher quality peak shapes for NH<sub>3</sub> compared to other column chemistries or deactivation processes. Higher quality peak symmetry can lead to lower detection limits, higher precision, and improved accuracy. The goal of this study was to demonstrate that the 990 Micro GC system can effectively analyze 100% NH<sub>3</sub> without compromising performance or robustness.</p><p><strong>Conclusion</strong></p><p>This application note demonstrates the capabilities of an Agilent 990 Micro GC system for monitoring NH<sub>3</sub>, N<sub>2</sub>, H<sub>2</sub>, and H<sub>2</sub>O in the feed and product streams of ammonia cracking reactors. The system has been shown to be effective across a wide range of concentrations.</p><p>This two‑channel configuration used a 15 m Agilent CP‑Volamine straight channel and a 10 m Agilent CP‑Molsieve backflush channel, performing exceptionally well for NH<sub>3</sub>, N<sub>2</sub>, and H<sub>2</sub>.</p><p>The system was equipped with a stream selection valve (SSV), allowing easy switching between the bulk ammonia source, the low concentration reformate side of the reactor, and the calibration gas flows. The SSV also makes it possible to monitor multiple reactors with a single instrument and is amenable to high‑throughput or piloting studies.</p><p>This 990 Micro GC setup has demonstrated exceptional repeatability and linearity, a rapid cycle time (&lt; 1 minute), and a robustness towards ammonia as a bulk sample.</p><h4><strong>3. Thermo Fisher Scientific: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/sl_003311_gc_vacuum_probe_interlock_nevervent_food_beverage_sl003311_na_en_529ea8c8af.pdf"><strong>How NeverVent technology enables consistent uptime for continued lab operation</strong></a></h4><ul><li>Technical note</li></ul><p><strong>Benefit summary</strong></p><ul><li>Eliminates unnecessary downtime</li><li>Maintains productivity</li><li>Simplifies maintenance</li><li>Enables disruption-free ionization type change</li><li>Increases ROI</li></ul><p><strong>What is NeverVent technology and how does it work?</strong></p><p>Thermo Scientific™ NeverVent ™ technology is unique to Thermo Fisher Scientific’s GC-MS products. It allows for routine maintenance, exchange of ionization mode, and direct probe work to be performed without the need to break the vacuum of the mass spectrometer:</p><ul><li>Removing/replacing the ionization source: Utilizing the vacuum probe interlock (VPI) in combination with an isolation valve, the ionization source can be removed the from the system without venting the MS. The source can either be cleaned or replaced with a spare clean source, and samples can be run without long stabilization times which would be required if the system was vented.</li><li>Changing ionization type: Using the VPI, the ionization source can be replaced with a different type of ionization source, for example, switching from Electron Ionization (EI) to Chemical ionization (CI) within a few minutes.</li><li>Using direct sampling probes: The VPI also allows the use of direct probes on some NeverVent GC-MS systems. This enables direct sampling into the MS system, bypassing the GC separation, and is useful in compound characterization and when analyzing very difficult to volatilize samples like oils or metal complexes.</li><li>Changing the GC column without venting: When performing common column maintenance like trimming, or replacing the column entirely, the V-Lock Source Plug allows the MS to be sealed off from inside the manifold. Columns can be exchanged or maintained without ever breaking vacuum.</li></ul>

News from LabRulezGCMS Library - Week 50, 2024

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 6th January 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you applications and other documents by <strong>Agilent Technologies</strong>, <strong>Thermo Fisher Scientific</strong>,<strong> </strong>and<strong> Shimadzu</strong>!</p><h4><strong>1. Shimadzu: GC-MS-Based Evaluation of Fatty Acid Composition in Microalgae</strong></h4><ul><li>Application</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ap_aplnote106_en_a5170916d8.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Given the urgent need to mitigate climate change and reduce dependence on fossil fuels, there has been a substantial increase in research and development efforts focused on the production of Sustainable Aviation Fuel (SAF) from microalgae. As the fatty acids contained in microalgae are used as raw materials for SAF, the standardization of analytical methods for these fatty acids is imperative for accurately evaluating the potential of microalgae as a SAF source. This paper introduces a case study in which we validated an analytical method for fatty acids in microalgae biomass using the GCMS-TQ TM 8040 NX, a gas chromatography-mass spectrometer capable of high-resolution and high-sensitivity detection.</p><h5><strong>GC-MS Analysis Methods</strong></h5><p>GCMS-TQ8040 NX (Fig. 3A) was employed for FAME analyses. The detailed analytical condition is shown in Table 2. Retention times of target compounds were predicted using the Smart Metabolites Database (Fig. 3B) based on the retention indices of n-alkanes, and the analysis method was automatically created. Quantification of FAMEs was performed using Supelco 37 Component FAME Mix (Sigma-Aldrich). All values are presented as mean ±SD.</p><h5><strong>Conclusion</strong></h5><p>This application note presented a comparative validation of fatty acid analysis methods for microalgae using the gas chromatography-mass spectrometer GCMS-TQ8040 NX. Our results from conventional fatty acid analysis, which involved an extraction process, showed that the quantity of fatty acids detected in microalgae was influenced by the type and ratio of extraction solvents. Additionally, since optimal conditions differ among microalgal species, consideration of extraction solvents is necessary in analyses involving extraction processes. In contrast, the in situ analysis without an extraction process was found to result in lower fatty acid detection compared to the extraction-based method, indicating that further improvements are needed.</p><h4><strong>2. Agilent Technologies:&nbsp;Hydrocarbon Class Analysis of Conventional and Synthetic Aviation Turbine Fuels by ASTM D8396</strong></h4><ul><li>Application</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_aviation_turbine_fuels_astm_d8396_5994_7929en_agilent_7d0fe51745.pdf"><strong>Full PDF for download</strong></a></li></ul><p><strong>Flow-modulated GCxGC-FID using the Agilent Reverse Flow Modulator and 8890 GC.</strong></p><p>This application note demonstrates the performance of the Agilent Reversed Flow Modulator (RFM) and Agilent 8890 GC through molecular group-type analysis of aviation turbine fuel and synthetic aviation turbine fuel (SATF) by comprehensive multidimensional gas chromatography with flame ionization detection (GCxGC-FID) per ASTM D8396. Method precision was explored using both hydrogen and helium carrier gases and yielded quantitative precision below 1.0 %RSD for 39 out of 42 compounds and 42 out of 42 compounds, respectively, across 10 consecutive replicate injections of a gravimetric standard. GCxGC data analysis was conducted using GC Image – GCxGC Edition, and the demonstration of reconciling GCxGC peak movement using GC Image's affine transformation capabilities is also highlighted. Finally, the method is used to show the group-type quantification of a reference jet fuel, an HEFA and an FT-SPK SATF, two kerosene reference materials, and a diesel-FAMEs blend.</p><h5><strong>Experimental</strong></h5><p>An 8890 GC was configured with an Agilent 7693A autosampler, split/splitless (SSL) inlet, RFM, and two flame ionization detectors (FID). The second FID is an optional but highly recommended addition and was connected to the outlet of the restrictor column to actively monitor and ensure that the modulation channel was not overfilled during the run. To facilitate modulation, the RFM was paired with a pneumatic switching device (PSD) connected to the carrier gas supply. Both the hydrogen and helium carrier methods used a "reverse column configuration". The first-dimension column was a mid-polar DB-17, and the second-dimension column was a non-polar DB-1HT. The DB-17 was chosen over a more-polar phase (such as a polyethylene glycol "wax" phase) for its robustness and ability to elute heavier polyaromatic species at lower temperatures. The DB-1HT was manually cut to a length of 5.00 m from an original length of 30 m. Both the hydrogen and helium carrier methods used uncoated deactivated fused silica with an internal diameter of 0.10 mm cut to lengths of 1.99 and 2.64 m, respectively, as the restrictor column. Detailed instrument configurations and method parameters can be found in Table 1, and a picture and flow schematic of the RFM is shown in Figure 2.</p><p><strong>Conclusion</strong></p><p>An Agilent 8890 GC configured with an Agilent Reversed Flow Modulator has been demonstrated as a simple, precise, and robust GCxGC flow modulator through the application of ASTM D8396 using both hydrogen and helium carrier. Identification of marker compounds and delineation between molecular classes was achieved using the template-based identification protocol within GC Image. Group-based quantification was demonstrated for conventional jet fuel, SATF as FT-SPK and HEFA-SPK, kerosene, and a diesel-FAME blend. A precision study was conducted with 10 consecutive replicate injections of a gravimetric mixture and showed quantitative precision of less than 1.0 %RSD for practically all 42 compounds over a concentration range of 0.50 to 5.50% mass. The exceptional retention time repeatability from Agilent's 6th-generation EPC technology combined with GC Image's advanced and intuitive image transformation capabilities establishes the foundation for long-term success with D8396 and future GCxGC test methods.</p><h4><strong>3. Thermo Fisher Scientific: Sensitive and cryogen-free analysis of epichlorohydrin and other VOCs in drinking water by using In-Tube Extraction Dynamic Headspace (ITEX-DHS) sampling coupled to GC-MS</strong></h4><ul><li>Application</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_003503_gc_ms_itex_dhs_vocs_an003503_na_en_f9e523f52a.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The aim of this study is to demonstrate the suitability of In-Tube Extraction Dynamic Headspace (ITEX-DHS) for the analysis of very volatile organic compounds (VVOCs), volatile organic compounds (VOCs), and epichlorohydrin (ECH) in drinking water, when coupled to a cryogen-free refocusing into a programmed temperature vaporizer (PTV) injector.</p><h5><strong>Instrumentation</strong></h5><p>A Thermo Scientific™ TriPlus™ RSH SMART autosampler<sup>2</sup> equipped with an ITEX-DHS tool was coupled to a Thermo Scientific™ TRACE ™ 1610 GC, configured with a Thermo Scientific™ iConnect™ programmed temperature vaporizer (iConnect-PTV) injector, and a Thermo Scientific™ ISQ™ 7610 single quadrupole mass spectrometer. The PTV injector was equipped with a liner packed with Tenax TA (P/N 45312145-UI), suitable for a cryogen-free refocusing of the most volatile compounds.</p><p>Chromatographic separation was achieved using a Thermo Scientific™ TraceGOLD™ TG-624 SilMS, 60 m × 0.25 mm × 1.4 μm column (P/N 26085-3330). This column provided high inertness and thermal stability with maximum temperatures up to 320 °C. The phase thickness makes this column ideal for volatile organics analysis. Helium was used as carrier gas, providing high chromatographic efficiency and inertness.</p><h5><strong>Conclusions</strong></h5><p>The results of these experiments demonstrate that the In-Tube Extraction Dynamic Headspace (ITEX-DHS) coupled to the ISQ 7610 GC-MS system equipped with an iConnect PTV injector provides an ideal solution for analytical science laboratories monitoring critical contaminants in drinking water.</p><ul><li>Dynamic headspace is a convenient solventless extraction and enrichment technique for VVOCs, VOCs, and ECH in drinking water with almost no sample preparation required.</li><li>The ITEX-DHS sampling technology offers a robust and powerful enrichment of volatiles, removing typical issues involved when purging the aqueous samples and allowing for equivalent limits of detection to the P&amp;T sampling technique.</li><li>The ITEX-DHS sampling technology coupled to a Tenax TA packed liner and PTV injector allows for analyte trapping and refocusing prior to column transfer so that improved peak shapes for the early eluting compounds can be achieved.</li><li>The ITEX-DHS enrichment capability combined with SIM acquisitions allows for sensitive analysis of ECH and other VOCs with limits of detection in the low ppt range (from 2 to 220 ng/L) ensuring adequate performance to meet the thresholds set by the current EU regulation.</li><li>The reliability of the entire workflow (analyte extraction, enrichment, injection, and data acquisition) was demonstrated with absolute peak area repeatability &lt;14% over n=10 injections of matrix-matched standards spiked at 0.25 μg/L.</li><li>The integrated control for both autosampler and GC-MS in a single CDS ensures a streamlined automated workflow from sample extraction to sequence set up, data acquisition, and reporting.</li></ul>

News from LabRulezGCMS Library - Week 2, 2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 13th January 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you applications and other documents by <strong>Agilent Technologies</strong>, <strong>Thermo Fisher Scientific</strong>,<strong> </strong>and<strong> Shimadzu</strong>!</p><h4><strong>1. Thermo Fisher Scientific: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_7000_mrm_toxicology_asms_2024_wp810_en_agilent_b9f153ff37.pdf"><strong>HERAtech Laboratories satisfies growing water-analysis demand and reduces costs using workflow automation</strong></a></h4><ul><li>Case study</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/paper/28639"><strong>Full PDF for download</strong></a></li></ul><p><i>“Automation is fundamental because thirteen analysts are not enough to cope with our increase in samples. The automated approach we use allows for method consolidation with the analysis of PAHs and pesticides in a single GC run. Additionally, the possibility to perform sample extraction automatically, followed by online GC-MS/MS analysis, offers a significant reduction of labor spent and a significant reduction in solvent consumption.”</i></p><p><i><strong>Dr. Paolo Morelli</strong>, Laboratory Manager, HERAtech S.r.l., Sasso Marconi (BO), Italy</i></p><p><i>“It’s necessary to evaluate every possible marginal gain on every single process in the workflow to remove any bottlenecks. The bottleneck that Thermo Fisher Scientific has helped us solve is huge for sample preparation for pesticides and in particular for PAHs by eliminating manual SPE.”</i></p><p><i><strong>Dr. Paolo Morelli</strong>, Laboratory Manager, HERAtech S.r.l., Sasso Marconi (BO), Italy</i></p><blockquote><h5><strong>Analytical system used at HERAtech for automated determination of pesticides and PAHs in water samples</strong></h5><ul><li>TriPlus RSH SMART autosampler</li><li>Thermo Scientific™ TRACE ™ 1610 Series gas chromatograph with Thermo Scientific™ iConnect™ Programmable Temperature Vaporizing (PTV) injector module for large-volume injection</li><li>Thermo Scientific™ TSQ™ 9610 triple quadrupole mass spectrometer</li></ul></blockquote><p><i>“The key aspect of this automated solution is an analytical system capable of carrying out automatically, in a fully unattended way, all the extraction phases of the LLE protocol using microvolumes.”</i></p><p><i><strong>Dr. Paolo Morelli</strong>, Laboratory Manager, HERAtech S.r.l., Sasso Marconi (BO), Italy</i></p><p><i>“We made significant investments focused on automation in terms of instruments that allow us to analyze more analytes in one run. In particular, we aimed to consolidate different methods into a single method and provide as many analytical measurements as possible with a single machine. Our goal was simultaneous analysis of 70 analytes including pesticides and PAHs, with quantification limits between 0.0005 μg/L (0.5 ng/L) and 0.02 μg/L.”</i></p><p><i><strong>Dr. Paolo Morelli</strong>, Laboratory Manager, HERAtech S.r.l., Sasso Marconi (BO), Italy</i></p><p><i>“Only two solvents are necessary to perform automated DLLME, and the much lower volumes offer significant cost savings. The sample volume required is much lower, reducing logistic costs of transportation and storage.”</i></p><p><i><strong>Dr. Paolo Morelli</strong>, Laboratory Manager, HERAtech S.r.l., Sasso Marconi (BO), Italy</i></p><h4><strong>2. Agilent Technologies/ASMS: A Triple Quadrupole GC/MS MRM Database for Forensic and Toxicological Workflows</strong></h4><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/paper/27204"><strong>Full PDF for download</strong></a></li></ul><p>Systematic toxicological analysis in forensic investigation demands continuous adaptability to an ever-evolving toxicant landscape.</p><p>The three main challenges are:</p><ol><li>low concentrations of the toxicants</li><li>an ever-growing number of analytes to be monitored and quantitated</li><li>the limitations in obtaining analytical standards for every chemical.</li></ol><p>For the volatile compounds, gas chromatography/mass spectrometry (GC/MS) is the method of choice when analyzing forensic drugs and toxicants [1, 2]. GC/MS <strong>forensic toxicological workflow</strong> greatly benefits from <strong>selectivity</strong> and <strong>sensitivity</strong> of multiple reaction monitoring (MRM) approach enabled with triple quadrupole GC/MS (GC/TQ).</p><p>The aim of this work was to develop an <strong>MRM database</strong> to help toxicological researchers build screening and quantitation methods simplifying method development.</p><p>The database of MRM transitions for relevant toxicants was established and successfully applied to creating GC/TQ methods for analyzing real-world authentic samples with <strong>greater sensitivity and confidence</strong> than the conventional GC/MS approach. The database will be available for download starting July 2024.</p><h4><strong>3. Shimadzu: GC/GC-MS Glass Insert/Liner Selection Guide</strong></h4><ul><li>Guide</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/paper/26962"><strong>Full PDF for download</strong></a></li></ul><p>In a gas chromatograph, the sample is injected into the column via the injection unit. A glass insert / liner is used to vaporize the sample more efficiently, and to inject the vaporized sample into the column with no unnecessary dispersion. Additionally, using a glass insert reduces the extent to which contaminants such as high boiling point compounds from the sample contaminate the injection unit. Accordingly, selecting a glass insert appropriate for the objective heightens the accuracy of analysis and leads to more reliable results.</p><p>When selecting a glass insert, various selection standards are used depending on the application. For example, the following cases can be cited as selection standards for glass inserts.&nbsp;</p><ul><li>What type of injection unit is used? What sample injection method is used during analysis?</li><li>Is the glass insert filled with wool (glass wool)? What shape is the glass insert?</li><li>What are the dimensions of the glass insert?</li><li>Is surface treatment of the glass insert necessary?</li></ul><p>Glass inserts with a variety of specifications are commercially available to suit these varied selection criteria, so selecting a glass insert can be daunting.</p><p>This selection guide describes how to select an appropriate glass insert for the objective/application as well as points to consider in accordance with elements of the glass insert configuration. Additionally, this guide introduces glass inserts appropriate for your Shimadzu GC system.</p>

News from LabRulezGCMS Library - Week 3, 2025

<p><strong>For analytical scientists working with chromatography and mass spectrometry, protecting sensitive information is crucial. Advances in instrument and software technology, combined with increased demands for in-depth analytics, has significantly increased the volume of valuable data that must be safeguarded from unauthorized access and potential breaches. One effective strategy to enhance security is to centralize data management, storing data away from the initial point of acquisition. Let us explore how this approach can significantly strengthen security for chromatography and mass spectrometry users and facilitate adherence to regulatory compliance measures surrounding electronic records.&nbsp;</strong></p><h4><strong>Understanding the analytical science landscape&nbsp;</strong></h4><p>Chromatography and mass spectrometry are critical techniques in many fields including pharmaceuticals, environmental analysis and biochemistry. The data generated from these methods includes intricate details about potentially proprietary chemical compositions and biological information. Protecting this data is crucial to maintaining the integrity of scientific research and the competitive edge of organizations.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Enhanced_Security_Through_Centralized_Data_Management_A_guide_for_Chromatography_and_Mass_Spectrometry_Users_95f6d464f1.webp" alt="Thermo Fisher Scientific: Enhanced Security Through Centralized Data Management - A guide for Chromatography and Mass Spectrometry Users" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Enhanced_Security_Through_Centralized_Data_Management_A_guide_for_Chromatography_and_Mass_Spectrometry_Users_95f6d464f1.webp 245w," sizes="100vw" width="1200" height="600"></p><h4><strong>The data security challenge&nbsp;</strong></h4><p>Data acquisition, processing, storage and reporting has traditionally been conducted on isolated, static hardware-bound workstations. This approach presents significant security risks:</p><ul><li><strong>Single point of failure: </strong>An isolated system with poor backup strategies can be vulnerable to catastrophic data loss via accidental damage or environmental changes. Any compromise can lead to data corruption, loss or unauthorized alterations.&nbsp;</li><li><strong>Accessibility and convenience: </strong>Storing and processing data in a noisy lab environment can be inconvenient and impractical. Technical staff are often competing for access to instruments using the same workstation that others need for processing. This often leads to users manually transferring data outside of a controlled system for processing elsewhere. &nbsp;</li></ul><h4><strong>The case for centralized data management&nbsp;</strong></h4><p>Centralizing data management involves storing data in a central server location, away from the initial point of data acquisition. Here is how this approach can enhance security and usability for chromatography and mass spectrometry users:</p><ul><li><strong>Reduced risk:</strong> A centralized system that has redundancies and backups in place can alleviate the risks associated with a single point of failure. Attackers trying to gain access will also have to deal with robust security measures not typically seen with isolated workstations&nbsp;</li><li><strong>Enhanced data integrity: </strong>With separate systems for acquisition and storage, the integrity of the data is better preserved. Any unauthorized changes on the acquisition workstation will not directly affect the stored data.&nbsp;</li><li><strong>Remote access and flexibility</strong>: Centralized data storage allows users to securely and conveniently access data from anywhere without manual transfer or copying the data.&nbsp;</li></ul><h4><strong>Data retention, integrity and auditing&nbsp;</strong></h4><p>Compliance with regulatory bodies such as the FDA (Food and Drug Administration) and &nbsp;EMA (European Medicines Agency) involves meeting stringent requirements for data integrity, security and retention. Centralized data management can help meet these requirements.</p><ul><li><strong>Data integrity and audit trails:</strong> Separating acquisition from storage lets organizations ensure long-term raw data integrity and traceability by controlling access and providing audit trails.&nbsp;</li><li><strong>Secure data retention: </strong>Regulations often mandate that data submissions be stored securely for extended periods. Dedicated data storage solutions can be designed to meet these requirements of large data volumes in a cost-effective way, while also protecting data from unauthorized access, accidental damage and environmental threats. &nbsp;</li></ul><h4><strong>Practical implementation considerations for data security&nbsp;</strong></h4><p>Chromatography and mass spectrometry users looking to deploy a centralized data management system should consider some data security essentials:</p><ul><li><strong>Secure data transfer protocols:</strong> Use of encrypted channels for transferring data from the acquisition point to the central storage system.&nbsp;</li><li><strong>Robust authentication mechanisms:</strong> Multi-factor authentication (MFA) to control access to both acquisition and storage systems. Single sign-on (SSO) systems also offer convenience.&nbsp;</li><li><strong>Accessible audit trails and monitoring: </strong>Conducting regular security audits and continuous monitoring to detect and respond to potential threats promptly.&nbsp;</li><li><strong>Leverage cloud solutions:</strong> Consider using cloud-based solutions that offer built-in security features for both data acquisition and storage. Many cloud providers offer specialized services that can help segregate these functions securely.&nbsp;</li><li><strong>Compliance-focused data management: </strong>Ensure that the data management strategy aligns with regulatory requirements for data integrity, security and retention. This includes maintaining detailed records of data acquisition, storage, and processing activities.&nbsp;</li></ul><h4><strong>Conclusion&nbsp;</strong></h4><p>Centralizing data management by storing data away from the initial point of acquisition is a powerful strategy to enhance data security and facilitate regulatory compliance. Centralized data can be securely managed and shared remotely, allowing users to access data independently from the lab-bound workstations used for acquisition. Adopting secure data transfer protocols and robust authentication mechanisms can be made easier with modern cloud solutions. Scientists should feel empowered by these tools to protect their valuable data and maintain the integrity of their research. &nbsp;</p>

Enhanced Security Through Centralized Data Management: A guide for Chromatography and Mass Spectrometry Users

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Enhanced Security Through Centralized Data Management: A guide for Chromatography and Mass Spectrometry Users

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