<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Historical content from the workshop can be found on YouTube via the LabRulez platform: 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 LabRulezLCMS Library in the week of 18th November 2024? Check out new documents from the field of liquid phase, especially HPLC and LC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT LCMS 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://gcms.labrulez.com/library"><strong>LabRulezGCMS</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, presentations, and posters by <strong>Metrohm,</strong> <strong>Thermo Fisher Scientific,</strong> <strong>Shimadzu, Waters Corporation,</strong> and <strong>Agilent Technologies</strong>!</p><h4><strong>1. Agilent Technologies: </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/why_use_hilic_and_hic_chromatography_oct082024_51637eb877.pdf"><strong>Why Use HILIC and HIC Chromatography?</strong></a></h4><ul><li>Presentation</li></ul><h5><strong>Agenda</strong></h5><ul><li><strong>What is HILIC and when should you consider it?</strong></li><li><strong>How to approach HILIC method development</strong><ul><li>Agilent HILIC column options</li><li>Mobile phase considerations</li></ul></li><li><strong>Common HILIC application areas</strong></li><li><strong>Tips and tricks for successful HILIC column use and care</strong><ul><li>Column equilibration</li><li>Sample solvent compatibility</li><li>Inert HILIC solution for metal-sensitive compounds</li></ul></li><li><strong>What is HIC and its separation mechanism?</strong></li><li><strong>Requirements for HIC</strong><ul><li>Factors affecting selectivity</li></ul></li><li><strong>Common HIC application areas</strong><ul><li>Post-translational modification (PTM) analysis</li><li>Separation of NIST mab (RM 8671)</li><li>Monitoring oxidation in mAbs</li></ul></li></ul><h5><strong>Summary</strong></h5><p><strong>When to consider a HILIC column:</strong></p><ul><li>Are your analytes unretained with RPLC?</li><li>Are your analytes at least somewhat soluble in acetonitrile?</li><li>Are you using MS detection?</li><li>Do your analytes interact with metals in the LC system?</li></ul><p><strong>Keep the sample solvent in mind for HILIC analyses:</strong> prepare the sample in as much acetonitrile as possible, and keep injection volumes as small as possible.</p><ul><li>Most common support issue with HILIC methods</li></ul><h4><strong>2. Shimadzu: </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_06_saip_lc_077_en_e0b92b59d4.pdf"><strong>Simultaneous Quantitation of 32 PFAS in Baby Food by LC-MS/MS</strong></a></h4><ul><li>Application</li></ul><p><strong>User Benefits</strong></p><ul><li>A simple QuEChERS extraction procedure has been employed for quantifying the PFAS with normal dSPE cleanup.</li><li>This method complies with all acceptance criteria (as per AOAC SMPR 2023.003) without using ISTDs.</li><li>Method with shorter run time can contribute to achieving high throughputs in testing laboratories.</li></ul><p><strong>Introduction</strong></p><p>PFAS (Per- and polyfluoroalkyl substances) are a class of highly persistent chemicals widely known as "forever chemicals" due to their strong resistance to environmental degradation (Figure 1). Found in products like firefighting foams, non-stick cookware, and water-resistant fabrics, PFAS are now recognized as major environmental and health concerns. These substances accumulate in soil, water, and living organisms, including humans, where they may cause serious health impacts over time.</p><p>Given their potential for long-term contamination, the detection and quantification of PFAS are critical. Advanced analytical methods, particularly LC-MS/MS with Multiple Reaction Monitoring (MRM), offer the specificity and sensitivity needed to accurately measure PFAS concentrations. However, one of the primary challenges in PFAS analysis is minimizing background contamination from PFAS residues within the LC system and during sample collection and preparation. Effective strategies to reduce these sources of contamination are essential for reliable results in PFAS quantification.</p><p>n this application news, we describe a single laboratory validation study with a rapid extraction of trace level concentrations of 32 PFAS (Table 1) in infant formula (baby food) involving the use of the QuEChERS as an extraction technique followed by mass spectrometric analysis using a Shimadzu LCMS-8060NX triple quadrupole mass spectrometer coupled to a Shimadzu Nexera X3 liquid chromatograph (Figure 2).</p><p><strong>Conclusion</strong></p><ul><li>A simple, sensitive, and rapid LC-MS/MS method has been developed to quantify 32 PFAS compounds in infant formula.</li><li>This method utilizes a QuEChERS-based extraction technique for efficient sample preparation.</li><li>With Shimadzu’s LC-MS/MS, the method demonstrated high sensitivity and reproducibility, achieving low relative standard deviations (RSDr and RSDR) in accordance with AOAC SMPR standards at trace levels.</li><li>This approach offers a reliable solution for multi-PFAS analysis in infant formula, making it highly applicable for testing laboratories focused on food safety.</li></ul><h4><strong>3. Thermo Fisher Scientific / </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/companies/170"><strong>RAFA</strong></a><strong>: </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.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://lcms.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<br>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 Orbitrap Exploris MX 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. Waters Corporation / </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/companies/303"><strong>HPLC</strong></a><strong>: </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/2024_hplc_zabala_cortecs_solid_core_scalability_3ffe31ac22.pdf"><strong>SCALABILITY OF SOLID-CORE PARTICLES FOR CHROMATOGRAPHIC ANALYSES</strong></a></h4><ul><li>Poster / <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/companies/303"><strong>HPLC</strong></a></li></ul><p><strong>NTRODUCTION</strong></p><p>Liquid Chromatography plays a crucial role in many areas of science. It is widely used for quality control of pharmaceuticals and biologics, research and medical purposes (1). Over the last several decades the gold standard of analysis for these areas of science has been High-Performance Liquid chromatography (HPLC). Typical HPLC systems operate within a 6000 psi pressure limit (2). Consequently, they are commonly paired with columns packed with 3 - 5 μm particles. Although smaller particle-packed columns allow faster separations, their use in HPLC is restricted to shorter lengths due to elevated backpressures (3). Additionally, established methods which are often used in a quality control setting may restrict alterations to particle size or column configuration.</p><p>Improved column efficiency on an HPLC system can be achieved using solid-core particles. Solid-core particles have a non-porous “solid” center and a porous outer layer(4). Columns packed with solid-core particles offer distinct advantages over those packed with fully porous particles, including higher efficiency and reduced operating backpressure. Waters offers a line of solid-core particle columns known as CORTECS Columns.</p><p>By utilizing CORTECS Columns, researchers can increase separation efficiency, achieve faster analysis times, reduced solvent waste and decreased column back<br>pressure. In this poster, we delve into the significance of larger solid-core particles for scalability. We compare columns packed with 5 μm CORTECS Prototype Material, CORTECS UPLC μm) Material and CORTECS HPLC (2.7 μm) C18 Material with columns packed with fully porous particles. Additionally, we explore how CORTECS Columns differ from similar offerings on the market.</p><p><strong>CONCLUSION</strong></p><ul><li>5 μm CORTECS Prototype Columns have 28% lower back pressure in comparison to 3.5 μm XBridge BEH C18 Columns.</li><li>5 μm CORTECS Prototype Columns have 14% higher optimal efficiency in comparison to 3.5 μm XBridge BEH C18 Columns.</li><li>CORTECS Columns are scalable across all 3 particle sizes shown.</li><li>In comparison, Vendor H and A columns are not scalable across all 3 particle sizes due to the significantly lower retention in the 4 and 5 μm particle size columns, shown in Figure 3.</li></ul><h4><strong>5. Metrohm: </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_bat_015_download_c51bc5f0fe.pdf"><strong>Differential capacity analysis (DCA) for battery research with INTELLO</strong></a></h4><ul><li>Application</li></ul><p><strong>Introducing dQ/dE plots, applications, and more</strong></p><p>Differential capacity analysis (DCA) is a powerful diagnostic technique widely used in battery research and development to gain detailed insights into the electrochemical behavior of batteries. DCA allows researchers to identify key electrochemical processes, phase transitions, and degradation mechanisms occurring within the battery during charge and discharge cycles. This technique is particularly valuable for characterizing complex systems such as lithium-ion batteries, where multiple electrochemical reactions may overlap.</p><p>This Application Note explores the principles and practical applications of differential capacity analysis, highlighting its role in improving battery performance.<br>This application also reveals how INTELLO, with its dedicated suite of battery-oriented commands and its ability to untether during long measurements, is an excellent choice for battery researchers looking to maximize their time and efficiency when conducting DCA.</p><p><strong>INTRODUCTION</strong></p><p>Within the INTELLO battery cycling environment, it is possible to sample the differential capacity (defined as dQ/dE = |Qn+1-Qn|/(En+1-En), where n is the index of the data point, Q is the value of the charge/discharge capacity, and E is the measured working electrode potential) and plot by default this value versus the measured voltage of the cell. Note that a general introduction to the cycling environment in INTELLO is provided in <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_bat_014_download_6c810739bf.pdf"><strong>AN-BAT-014</strong></a> while this Application Note specifically focuses on the dQ/dE plot and what can be derived from it.</p>

News from LabRulezLCMS Library - Week 47, 2024

<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>

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