<p><strong>If you are working with an established method</strong>, we would recommend for you to:</p><ul><li>Check all solutions used for the SPE method to ensure that nothing is expired or has been mislabelled.</li><li>Check the process. Was flow potentially too fast during loading or elution? Could the cartridges have been allowed to dry between equilibration and sample loading?</li></ul><p>It is generally quickest to simply repeat the extraction, taking care of these points.</p><p><strong>If, however, you are developing a new method</strong>, it might be necessary to “track down” your analyte. The first thing we would recommend is to make up a solution of the analyte without sample matrix (to use as an ideal sample). Then work through the sample method capturing the eluent from each step potentially containing the analyte:</p><ol><li>Condition the cartridge.</li><li>Equilibrate the cartridge.</li><li>Load the sample and collect the flow-through in a vial.</li><li>Analyze this for analyte content. If analyte is found in this fraction it would suggest:<ul><li>Sample solvent is too strong, or the pH is incorrect.</li><li>Loading flow rate is too high.</li><li>You have breakthrough because either sample load is too high, or sorbent mass is too low.</li></ul></li><li>Wash the cartridge, collecting each wash fraction in a separate vial.</li><li>Again, analyze for analyte content. If analyte is found in any wash fraction, this suggests:<ul><li>Wash solvent is too strong.</li><li>Wash solvent is not at the correct pH.</li></ul></li><li>If the analyte has not been found in the load or wash fractions, then the analyte must be retained on the cartridge.<ul><li>Try using a stronger elution solvent.</li><li>Ensure pH of the elution solvent is correct.</li><li>If the first 2 suggestions don’t help, try using a less retentive sorbent (in reversed phase, try switching a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products?category=136&amp;manufacturerItems=50&amp;search=Strata"><strong>C18 cartridge for a C8</strong></a> if the analytes are very hydrophobic).</li></ul></li></ol>

I am getting low recovery in my SPE method, how do I fix the problem?

<p>The <strong>Sequence Window in </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/999"><strong>Clarity Chromatography Data System (CDS)</strong></a> is a central tool for planning and executing analytical runs. It allows users to define and control all aspects of sample measurement, including sample identification, injection volumes, calibration settings, and post-run actions. This article provides a detailed explanation of the Sequence Window, its key components, and the functionality it offers, based on an instructional video tutorial.</p><h3><strong>Accessing the Sequence Window</strong></h3><p>The Sequence Window is accessible directly from the <strong>Instrument Window</strong> in Clarity CDS. Once opened, the main feature displayed is the <strong>Sequence Table</strong>, which contains the full overview of all analytical runs.</p><h3><strong>Structure of the Sequence Table</strong></h3><h4><strong>Status Column</strong></h4><ul><li>Displays the <strong>state of each row</strong> (e.g., pending, running, completed).</li><li>All possible states with detailed descriptions are available in the <strong>Help section</strong>.</li></ul><h4><strong>Run Column</strong></h4><ul><li>Determines whether a row will be measured.</li><li>Allows the user to <strong>include or exclude specific analyses</strong> from the sequence.</li></ul><h4><strong>Vial Columns</strong></h4><ul><li>Specify the <strong>sample vials</strong> to be used during the measurement process.</li></ul><h4><strong>Sample and Sample ID Columns</strong></h4><ul><li>Used for <strong>sample identification and tracking</strong>.</li><li>Essential for linking results to the correct sample.</li></ul><h4><strong>Post-Calculation Columns</strong></h4><ul><li>Provide options for performing calculations <strong>after measurement</strong>.</li><li>Useful for automated processing and reporting.</li></ul><h4><strong>Injection Volume Column</strong></h4><ul><li>Directs the autosampler on how much volume should be injected per analysis.</li></ul><h4><strong>File Name Column</strong></h4><ul><li>Defines the <strong>name of the resulting chromatogram file</strong>.</li><li>Recommended: Use <strong>variables</strong> in naming to ensure <strong>unique file identifiers</strong>.</li></ul><h4><strong>Sample Type and Level Columns</strong></h4><ul><li><strong>Sample Type:</strong> Defines the role of the sample in calibration (Unknown, Standard, Blank).</li><li><strong>Level:</strong> Specifies the calibration level for standards.</li><li>If Sample Type is set to <strong>Bypass</strong>, the sampler will not inject on that row.</li></ul><h4><strong>Method Name Column</strong></h4><ul><li>Indicates which <strong>analytical method</strong> will be applied to the run.</li></ul><h4><strong>Post-Run Options</strong></h4><ul><li>Control what happens <strong>after a run is completed</strong>.</li><li>Additional post-run columns are hidden by default but can be enabled in the <strong>Setup Columns dialog</strong>.</li></ul><h3><strong>Toolbar Functions</strong></h3><p>At the top of the Sequence Window, a <strong>dedicated toolbar</strong> provides essential controls:</p><ol><li><strong>File Management &amp; Printing</strong><ul><li>Open, save, and print sequence files.</li></ul></li><li><strong>Editing Tools</strong><ul><li>Modify rows, copy/paste, and manage sequence table content.</li></ul></li><li><strong>Sequence Measurement Tools</strong><ul><li>Start, pause, or stop sequence runs.</li><li>Adjust sequence settings via the <strong>Sequence Options icon</strong>.</li></ul></li><li><strong>Method and Report Style Editing</strong><ul><li>Directly edit the <strong>method file</strong> or <strong>report style</strong> from the selected row.</li></ul></li><li><strong>Sequence Validity Check</strong><ul><li>Verifies that the sequence is properly configured before execution.</li></ul></li></ol><h3><strong>Setup Columns Dialog</strong></h3><ul><li>Provides control over which columns are visible in the Sequence Table.</li><li>Useful for customizing the display according to <strong>workflow requirements</strong>.</li><li>Includes hidden columns related mainly to <strong>post-run operations</strong>.</li></ul><h3><strong>Best Practices</strong></h3><ul><li>Use <strong>descriptive sample names and IDs</strong> for traceability.</li><li>Apply <strong>file name variables</strong> to avoid overwriting chromatograms.</li><li>Perform a <strong>validity check</strong> before running the sequence to prevent execution errors.</li><li>Customize the sequence layout with the <strong>Setup Columns dialog</strong> for clarity and efficiency.</li></ul><h3><strong>Conclusion</strong></h3><p>The Sequence Window in <strong>Clarity CDS</strong> is a powerful feature for managing analytical workflows in chromatography. By providing a structured environment for defining runs, controlling injection parameters, and ensuring calibration integrity, it enhances both productivity and accuracy. Users who master the Sequence Window will benefit from streamlined operations, reliable data, and reduced risk of errors.</p><blockquote><p>For further details, consult additional video tutorials on <strong>Sequence Options</strong> and related Clarity CDS functions.</p></blockquote>

Clarity chromatograhy software: Tutorial - Sequence window - Overview 

<h4><strong>1. What is fragmentation in the context of mass spectrometry?&nbsp;</strong></h4><p><strong>Fragmentation </strong>in this sense is the <strong>process of breaking a molecule into smaller pieces</strong> inside a mass spectrometer. By applying energy to break bonds, we create<strong> fragments that provide critical clues about the molecule’s structure</strong>, helping scientists piece together the complete picture of an unknown substance.</p><p>These fragments form a <strong>spectrum, a unique fingerprint of the molecule</strong>, which helps identify its components, modifications, and overall structure.</p><h4><strong>2. Why does fragmentation matter?</strong></h4><p>Without fragmentation, you would only know the <strong>intact mass</strong> of a molecule. This can provide some information, but for identifying something as complex as a peptide, it would be challenging to know the <strong>exact amino acid sequence</strong>. In a standard tryptic peptide search, using a <strong>HeLa library</strong>, there are <strong>up to 20 peptides overlapping within each 10 ppm error bin</strong>. (Figure 1) <strong>Fragmentation becomes essential for getting the full story</strong> since the peptides within a reasonable mass error may elute at the same time, or have less predictable elution, so the matching by <strong>MS1 only yields too many results</strong>.</p><p>This does not even account for the addition of <strong>modifications </strong>into the search space. Just to give context, there are a huge number of<strong> putative peptides with modifications</strong><sup>1</sup> (Figure 2), many of which would benefit from the use of <strong>alternate fragmentation techniques</strong> to help identify and characterize. We will discuss many of these in more detail in other sections. <strong>Without fragmentation, there would be no way to distinguish many peptides from one another to make an identification with confidence.</strong></p><p>Think of a peptide like a radio. The intact mass is the <strong>cover </strong>– it tells you it’s a radio, but it doesn’t show you how it works or what’s inside. Without taking the radio apart, you could put the same cover on a cake and think you might have two identical radios! To truly understand it and build a replica, you have to<strong> take it apart, piece by piece</strong>. <strong>That’s exactly what fragmentation does in mass spectrometry.</strong></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Freedom_to_Fragment_Introduction_The_importance_of_fragmentation_in_mass_spectrometry_3_6535564bac.jpg" alt="Thermo Fisher Scientific: Freedom to Fragment: Introduction: Figure 1: HeLa library of tryptic digested peptides binned by 10 ppm error, highlighted here is the 500-550 m/z range, showing individual bins with up to 20 potential peptide sequence matches." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Freedom_to_Fragment_Introduction_The_importance_of_fragmentation_in_mass_spectrometry_3_6535564bac.jpg 245w," sizes="100vw" width="1200" height="340"></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Freedom_to_Fragment_Introduction_The_importance_of_fragmentation_in_mass_spectrometry_2_b23970bcfd.jpg" alt="Thermo Fisher Scientific: Freedom to Fragment: Introduction: Figure 2: Putative post-translational modifications (PTMs) from the Swiss-Prot database listed in descending order.1" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Freedom_to_Fragment_Introduction_The_importance_of_fragmentation_in_mass_spectrometry_2_b23970bcfd.jpg 149w," sizes="100vw" width="800" height="837"></p><h4><strong>3. What applications rely on alternative or multiple fragmentation types?</strong></h4><p><strong>Fragmentation is a well-established aspect of mass spectrometry</strong>, but some systems provide many options for fragmentation, while others may only have one or even no options for fragmentation. The need within this space all depends on the application being studied.</p><p>Most <strong>proteomics experiments </strong>get rich, meaningful fragments from quick, efficient, and common<strong> collision-based methods</strong>. On the other hand, proteomics samples rich in glycosylation will break too easily, destroying the ability to map back the modification, and so <strong>more gentle techniques, like electron-based ones</strong>, need to be employed.</p><p>Generally speaking, when scientists need a <strong>better characterization of their analyte</strong>, they rely on<strong> multiple or alternate fragmentation techniques</strong> to do so. <strong>Glycomics, glycoproteomics, lipidomics, top-down proteomics, and metabolomics</strong> commonly rely on alternate or complementary fragmentation for complete characterization of the molecules.</p><p>One of the most common fragmentation applications is on <strong>proteins and peptides</strong>. They fragment predictably along their backbone to create <strong>a, b, c, or x, y, z fragment ions</strong>. [Figure 3]. <strong>A, b, and c type fragments</strong> are those that include from the<strong> n-terminus </strong>of the peptide to the amino acid residue number, reading from left to right. <strong>X, y, and z type fragments</strong> are those that include the<strong> c-terminus </strong>of the peptide to the amino acid residue number, reading from right to left.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Freedom_to_Fragment_Introduction_The_importance_of_fragmentation_in_mass_spectrometry_4_29ac1f1a9b.jpg" alt="Thermo Fisher Scientific: Freedom to Fragment: Introduction: Figure 3: Location of peptide/protein backbone cleavage and its nomenclature. Representative here is a 4-amino acid peptide with side chains labeled R1-4." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Freedom_to_Fragment_Introduction_The_importance_of_fragmentation_in_mass_spectrometry_4_29ac1f1a9b.jpg 245w," sizes="100vw" width="1200" height="582"></p><p>In this series, we will cover the basics, principles, applications, and considerations for th<strong>e alternate fragmentation and ion-manipulation techniques</strong> available on <strong>Thermo Scientific mass spectrometers</strong>. Up next, collision-based fragmentation.</p><blockquote><p>Learn more about <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/content/lifetech/global/en/home/industrial/mass-spectrometry/liquid-chromatography-mass-spectrometry-lc-ms/fragmentation-solutions.html"><strong>Freedom to Fragment</strong></a></p><p><strong>Visit us on&nbsp;</strong><a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/72003132/admin/dashboard/"><strong>LinkedIn:</strong></a>&nbsp;#Fragmentation #ETD</p></blockquote><blockquote><h4><strong>Amanda Lee</strong></h4><p>Amanda Lee PhD, Product Marketing Manager</p></blockquote>

Freedom to Fragment: Introduction

<p><strong>In the week from September 15, the following webinars await you in the field of atomic and molecular spectroscopy and spectrometry</strong></p><blockquote><h4><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></h4><h5><strong>👉 Search and filter in the largest global database</strong> with over <strong>4 500 GC, LC, MS and spectroscopy webinars</strong>.</h5></blockquote><h5><strong>1. Agilent Technologies: Automating the Workflow for the Analysis of Soils by ICP-OES. Less Work, More Flow</strong></h5><ul><li>Tu, 16.9.2025 09:30 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/3770">Registration</a></li></ul><p>ADS2 automates lab workflows, from calibrators to smart dilutions. Faster, smarter, and more accurate.</p><h5><strong>2. Milestone: Cut Reagent Costs by 90% with In-House Sub-Boiling Acid Purification</strong></h5><ul><li>Tu, 16.9.2025 16:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5460">Registration</a></li></ul><p>Cut reagent costs by up to 90% with the Milestone duoPUR system. Learn how to produce high-purity acids on demand and take control of blank values in your lab.</p><h5><strong>3. Anton Paar: Correlating the Mechanical and Chemical Properties: Introduction to Rheo-Raman Techniques for Polymers</strong></h5><ul><li>Tu, 16.9.2025 18:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5043">Registration</a></li></ul><p>This webinar will provide further insight in how combining rheology with Raman spectroscopy can provide additional information in the polymer industry.</p><h5><strong>4. Technology Networks: Driving Analytical Precision With UV-Vis Spectroscopy</strong></h5><ul><li>We, 17.9.2025 15:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5426">Registration</a></li></ul><p>Discover advanced UV-Vis applications in this Agilent webinar. Learn how the Cary 3500 improves efficiency, flexibility, and precision for high-performance labs.</p><h5><strong>5. Mettler-Toledo: Good Melting Point Measuring Practice</strong></h5><ul><li>Th, 18.9.2025 16:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5372">Registration</a></li></ul><p>Join our free live webinar and learn how to achieve the best results with a digital melting point instrument.</p>

Webinars LabRulezICPMS Week 38/2025

<p><strong>Wiley has further expanded its </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1271"><strong>KnowItAll Raman Spectral Library collection</strong></a><strong>, bringing the collection to over 27,000 spectra. The addition of new data to the collections underscores Wiley’s continuing commitment to provide analytical data to increase lab efficiency and throughput. Subscribers automatically gain access to the new data, ensuring they always have the most up-to-date information at their fingertips. Adding data to spectral libraries improves the reliability and accuracy of laboratory analysis.</strong></p><p>“<i>We're excited to add a new Sadtler-quality Raman database with polymers and monomers to the KnowItAll Raman Spectral Library, ensuring the highest-quality data is available for researchers. Our new database containing spectra of anthropogenic and biopolymer materials enables scientists to see the environmental impact caused by these materials,</i>” said Graeme Whitley, director, data science solutions at Wiley.</p><h4><strong>Below is a summary of recent updates:</strong></h4><h5><strong>KnowItAll Raman Spectral Library Collection</strong></h5><ul><li>A new database, <strong>Raman – Marine Microplastic &amp; Biopolymer Samples</strong>, containing 128 anthropogenic and biopolymer spectra added.</li><li>A new database, <strong>Raman – Sadtler Polymers &amp; Monomers (Basic 3) – Wiley</strong>, containing 406 Sadtler-quality basic monomers and polymers has been added.&nbsp;</li><li>443 new Raman spectra added to the <strong>Raman – Minerals – Wiley</strong> database.&nbsp;</li></ul><p>These databases, along with Wiley’s comprehensive <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1017"><strong>KnowItAll software</strong></a> solutions offer an unparalleled solution for fast, cost effective, and reliable spectral analysis.</p><h4><strong>About Wiley</strong></h4><p>Wiley (NYSE: WLY) is one of the world’s largest publishers and a trusted leader in research and learning. Our industry-leading content, services, platforms, and knowledge networks are tailored to meet the evolving needs of our customers and partners, including researchers, students, instructors, professionals, institutions, and corporations. We empower knowledge-seekers to transform today’s biggest obstacles into tomorrow’s brightest opportunities. For more than two centuries, Wiley has been delivering on its timeless mission to unlock human potential. Visit us at <a target="_blank" rel="noopener noreferrer" href="https://www.wiley.com/en-ie"><strong>Wiley.com</strong></a>.</p>

Wiley adds Raman data to its KnowItAll libraries, including microplastics, biopolymers, polymer and monomers, and minerals

<p><strong>Are you looking for small laboratory equipment such as laboratory scales, evaporators, or small centrifuges, and would you like to save money? The LabRulez Bazaar offer is just for you. All devices are in perfect condition, fully functional, and at great prices. 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Mettler Toledo AT261 DeltaRange Analytical Balance (Used)</strong></h5><p>Advanced balance offering rugged construction and precise weighing capabilities.</p><ul><li><strong>Price:</strong> €1,200.00</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/bazaar/168"><strong>Detailed offer can be found here</strong></a></li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Lab_Rulez_Mettler_Toledo_Analyticke_vahy_AT_261_Delta_Range_Bazar_2_32509ba41c.jpg" alt="Mettler Toledo AT261 DeltaRange Analytical Balance (Used)" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Lab_Rulez_Mettler_Toledo_Analyticke_vahy_AT_261_Delta_Range_Bazar_2_32509ba41c.jpg 131w," sizes="100vw" width="952" height="1139"></p><h5><strong>14. Mettler Toledo GA-42 Printer (Used)</strong></h5><p>Reliable printer for laboratory instruments, ensuring fast and clean documentation of results.</p><ul><li><strong>Price:</strong> €260.00</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/bazaar/167"><strong>Detailed offer can be found here</strong></a></li></ul><h5><strong>15. Mettler Toledo LC-P45 Printer (Used)</strong></h5><p>Compact printer for Mettler Toledo instruments, providing high accuracy and speed.</p><ul><li><strong>Price: </strong>€160.00</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/bazaar/166"><strong>Detailed offer can be found here</strong></a></li></ul><h5><strong>16. Mettler Toledo RS-P26 Printer (Used)</strong></h5><p>Compact, accurate printing solution for laboratory and industrial applications.</p><ul><li><strong>Price: </strong>€1,000.00</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/bazaar/165"><strong>Detailed offer can be found here</strong></a></li></ul><h5><strong>17. Tesla Teson1 – 2× Ultrasonic Baths (Used)</strong></h5><p>Ultrasonic baths with 1 L capacity, suitable for efficient cleaning of lab and industrial components.</p><ul><li><strong>Price: </strong>€100.00</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/bazaar/163"><strong>Detailed offer can be found here</strong></a></li></ul><h5><strong>18. Fisher Scientific Hotplate (Used)</strong></h5><p>0–550 °C hotplate with defective heating element – suitable for spare parts or repair.</p><ul><li><strong>Price: </strong>€100.00</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/bazaar/162"><strong>Detailed offer can be found here</strong></a></li></ul><h5><strong>19. Laboratory Homogenizer H 500 SET1 (Unused)</strong></h5><p>High-end homogenizer designed for efficient homogenization and emulsification of samples.</p><ul><li><strong>Price: </strong>€700.00</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/bazaar/159"><strong>Detailed offer can be found here</strong></a></li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Lab_Rulez_Homogenizator_H_500_SET_1_a55cffb61e.jpg" alt="Laboratory Homogenizer H 500 SET1 (Unused)" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Lab_Rulez_Homogenizator_H_500_SET_1_a55cffb61e.jpg 102w," sizes="100vw" width="612" height="937"></p>

LabRulez Bazaar Laboratory Equipment Offer

<p>🎤 <strong>Presenter</strong>: Marion Risse (ETH Zurich, Zürich, Switzerland)</p><p>💾 <a target="_blank" rel="noopener noreferrer" href="https://gcms.cz/paper/28873"><strong>PDF presentation</strong></a></p><blockquote><p>💡 <strong>Book in your calendar: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/events/787"><strong>17th Multidimensional Chromatography Workshop (MDCW)</strong></a><strong> 13 - 15. January 2026</strong></p></blockquote><h3><strong>Abstract</strong></h3><p><strong>Historically, women have been underrepresented in biological and medical research, leading to significant gaps in knowledge with adverse implications for women’s health. This exclusion often aims to avoid potential temporal variation linked to the female reproductive cycle. In studies on human odors and disease vector attraction, such gaps can critically impact human health. Yet, sex-specific differences in odor cues influencing mosquito attraction remain largely unexplored. To address this gap, we conducted a longitudinal study investigating variations in female body odors throughout the menstrual cycle.</strong></p><p>We collected skin volatile samples from female subjects during the menstrual, fertile, and luteal phases of their cycle, as well as from male controls. These samples were processed via two-dimensional gas chromatography-mass spectrometry (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?instrumentationItems=5-13-3&amp;manufacturerItems=25"><strong>GC×GC-MS</strong></a>) and further analyzed using GCImage software. Our findings provide crucial insights into sex differences in body odor and the potential effects of the menstrual cycle. Identifying volatile markers specific to sex and menstrual phases could significantly enhance our understanding of vector attraction.</p><p>This knowledge may inform targeted strategies for improved health interventions and disease prevention and control, ultimately contributing to better public health outcomes.</p><h3><strong>Video transcription</strong></h3><p>Women are historically underrepresented in biological and medical research. Many studies excluded women to avoid temporal variation caused by the menstrual cycle. This exclusion leads to partial representation of populations and reduces the utility of results. Human odor studies and disease vector attraction are no exception.</p><p>The research questions were: Is there a sex-specific signature in skin volatiles? Do body odors vary consistently throughout the menstrual cycle? How do these variations impact mosquito attraction?</p><h4><strong>Study Design</strong></h4><p>Two longitudinal studies with repeated volatile collections were conducted. Female participants were sampled at three phases: menstrual phase, fertile phase, and luteal phase. Male controls were sampled at corresponding intervals. Samples were analyzed with GC×GC-MS and processed using GCImage software. Both arm and foot volatiles were studied, with results here focusing on arms.</p><h4><strong>Results: Sex Differences</strong></h4><p>PLS-DA analysis showed strong overlap between males and females, but machine learning (random forest) could predict sex with approximately 75% accuracy. Some compounds were identified as sex markers, though identification is still under verification.</p><h4><strong>Results: Menstrual Cycle Effects</strong></h4><p>PLS-DA revealed overlap between menstrual and other phases, but clearer separation between fertile and luteal phases. Random forest analysis indicated limited accuracy for menstrual vs. fertile, but better prediction for menstrual vs. luteal comparisons. Volcano plots highlighted significant compounds distinguishing phases: few compounds for menstrual vs. fertile, more for menstrual vs. luteal and fertile vs. luteal comparisons. Some overlapping compounds were identified between LIMMA and random forest analyses.</p><h4><strong>Results: Mosquito Attraction</strong></h4><p>Mosquito attraction tests showed no differences between menstrual cycle phases and no differences between males and females. However, there was strong individual variation. Some participants were consistently highly attractive to mosquitoes, while others were consistently unattractive. These preferences remained stable over time and were independent of the menstrual phase.</p><h4><strong>Conclusion</strong></h4><p>GC×GC-MS analysis revealed detectable sex differences in skin volatiles and some menstrual cycle-related differences, though with significant overlap. Mosquito assays did not show any preference based on sex or menstrual phase but demonstrated stable individual attractiveness patterns. Additional data are still being processed and verified.</p><blockquote><p><strong>This text has been automatically transcribed from a video presentation using AI technology. It may contain inaccuracies and is not guaranteed to be 100% correct.</strong></p></blockquote>

The impact of the menstrual cycle on skin volatile profiles (Marion Risse, MDCW 2025)

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 15th September 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 posters by <strong>Agilent Technologies / ASMS, Shimadzu / ASMS </strong>and application note by <strong>EST Analytical!</strong></p><h3><strong>1. Agilent Technologies / ASMS: Beyond Aligners: Unmasking Hidden Extractables and Leachables in Orthodontic Devices</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ps_7250_extractables_leachables_asms_2025_tp_318_en_ucsf_3e88cfbf5c.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Increasingly popular in orthodontics, clear aligners promised to users’ improved comfort, compliance and flexibility. It also came with prolonged intraoral exposure. The literature on the potential for leaching components of the polymer used to manufacture the invisible aligners is sparse. Despite the benefits, user submitted cases in the FDA retrospective analysis report several adverse effect ranging from swelling, hives, itchiness and even difficulty breathing1 . Previous works examined the potential of leaching in retainers but used conditions far from the in-vivo setting2 . We used samples closest to user conditions and harnessed the power of Gas Chromatography High Resolution Mass Spectrometry (GC-HRMS) and the power of curated and annotated libraries to find candidate compounds that could be at the origin of the reported adverse effects. We also used multivariate statistics to establish relationships between the compounds and metadata.</p><h4><strong>Experimental</strong></h4><h5><strong>Sample Analysis&nbsp;</strong></h5><p>Samples were analyzed using the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=7250"><strong>Agilent 7250 accurate mass GC-qTOF</strong></a> equipped with the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8890+GC"><strong>8890 GC</strong></a> and a DB-5MS UI column (30m x 0.25 x 0.25). The inlet temperature was 280°C and the transfer line temperature was 325°C. The oven program was as follows: 50°C for 1 min, ramp at 25°C to 170°C, hold for 1 min; then ramp at 15°C to 300°C, hold for 10 min; then ramp at 20 °C to 325°C and hold for 5 min. The solvent delay was 4 min. The data were acquired in electron ionization (EI) mode using mass range 45 to 1000 m/z. The source temperature was 230°C, and the emission current was 5 µA. A mix of alkanes was run along with the samples and blanks and an Extractables and Leachables (E&amp;L) standard mixture was run as a quality check.&nbsp;</p><h5><strong>Data Analysis&nbsp;</strong></h5><p>Retention indices were used in consolidating library matches in both the Agilent HRMS E&amp;L library and the NIST23 library. Data analysis was conducted on Unknown Analysis software from Agilent that performs compound annotation based on library matching and retention index. All compounds were individually reviewed based on ExactMass, retention index delta and library match factor (Figure 2). Canonical Correlation Analysis was performed using the FactoMineR package in R.</p><h4><strong>Conclusions</strong></h4><p>The aligners used in the current study were approved in the late 90s when E&amp;Ls methods were not as prominent or sensitive as they are today. This study stands out with:&nbsp;</p><ul><li>The first report of numerous E&amp;L compounds with known potential adverse effects in a population of clear aligner users&nbsp;</li><li>Providing an insight of the relationships between E&amp;Ls and user’s metadata such as age, DWT and TSS&nbsp;</li><li>Providing the necessary libraries to find parent compounds and their potential metabolites</li></ul><h3><strong>2. EST Analytical: Optimization of 1,4-Dioxane and Ethanol Detection Using USEPA Method 8260</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Purge_and_Trap_1_4_Dioxane_and_Ethanol_by_8260_App_Note_b669c79f53.pdf"><strong>Full PDF for download</strong></a></li></ul><p>During the manufacture of pharmaceuticals, 1, 4-Dioxane is used as a cleansing agent. It is also a byproduct of plastic manufacturing. The most likely exposure to 1, 4-Dioxane is at an industrial site. However, if any 1, 4-Dioxane is released into the environment during manufacturing there is a potential for it to migrate into ground water. The fact that 1, 4-Dioxane is so miscible in water makes degradation of the chemical challenging. Ethanol, on the other hand, has been a popular gasoline additive. Since it burns more quickly and completely than gasoline, emissions from car exhaust are decreased. The downside of this is underground storage tank leakage and fuel spills cause ground water and drinking water to be contaminated with both the fuel and the ethanol additive. Since ethanol is also very miscible in water, the detection of ethanol contamination in water can be difficult.&nbsp;</p><p>There have been several innovations that help overcome the obstacles of detecting 1, 4-Dioxane and Ethanol. The first one is the SIM mode of the mass spectrometer. This mode allows better detection of hard to extract compounds. Furthermore, mass spectrometers are now equipped to run SIM/Scan, this not only helps detect more difficult compounds, but also enables the detection of an extensive list of USEPA Method 8260 compounds without having to run the samples twice. Advancements in purge and trap sampling have also facilitated better detection of these compounds. Most effective in this has been the ability to heat the samples. However, there are drawbacks to better detection. The most problematic of these is the tendency of 1, 4-Dioxane and Ethanol to “stick” to the glass ware. This susceptibility has caused many headaches in environmental labs.&nbsp;</p><p>This application note will investigate seven variations of purge and trap sampling. The data will then be evaluated in order to recommend the optimum purge and trap sampling parameters for your lab.</p><h4><strong>Experimental</strong></h4><p>The sampling system used for this study was the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2160"><strong>EST Analytical Evolution concentrator</strong></a> affixed with a Vocarb 3000 trap. The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2159"><strong>Centurion WS autosampler</strong></a> equipped with the syringe option was employed as the autosampler. The separation and analysis were performed by an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=7890A"><strong>Agilent 7890A Gas Chromatograph (GC)</strong></a> and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=5975C"><strong>5975C inert XL Mass Spectrometer (MS)</strong></a>. The GC was configured with a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=9&amp;search=Rxi-624+Sil+MS"><strong>Restek Rxi-624 Sil MS</strong></a> 30m x 0.25mm x 1.4µm column. The purge and trap parameters used for this study are listed in Tables 1 and 2 while Table 3 shows the GC/MS parameters.</p><h4><strong>Conclusions</strong></h4><p>All seven purge and trap parameter iterations passed the USEPA Method 8260 requirements for linearity and method detection limits. The problem with some of the experimental parameters was found in the carryover and precision and accuracy studies. The carryover using the traditional sparge vessel showed a large amount of carryover for the Ethanol and 1, 4-Dioxane. Since the carryover was so high, the precision and accuracy data suffered. The Fritless/Bulbless sparge vessel, on the other hand, displayed much lower carryover for the Ethanol and 1, 4-Dioxane especially when the patented sparge bake was not used. However, the 1, 2, 4-Trichlorobenzene, Naphthalene and 1, 2, 3-Trichlorobenzene carryover after the 50ppb standard was above the lower limit of the curve. Thus, the sparge bake would be recommended in order to limit the carryover of the heavier compounds. The optimum purge and trap parameters proved to be the patented water extraction technique. This technique provided linearity and method detection limits that met the USEPA Method 8260 requirements, while providing excellent precision and accuracy data. During water extraction, the sample is transferred to an empty 40ml vial and then purged in the soil station of the Centurion. The “fresh” vial provides a clean sparge vessel for every sample thus limiting carryover for both the Ethanol and 1, 4-Dioxane and for the heavy compounds. This lack of carryover aided in providing optimum precision and accuracy and carryover results and would be the recommended method for examining these troublesome compounds.</p><h3><strong>3. Shimadzu / ASMS: Quantitation of Acetaldehyde, Ethylene Oxide, 2-Chloroethanol, Ethylene Glycol, 1,4-Dioxane &amp; Diethylene Glycol in PEG 3350 by using dynamic headspace GC-MS/MS</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ASMS_2025_TP_301_ad1ab4ac3e.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Polyethylene glycol 3350 (PEG 3350) is used to treat occasional constipation and it is in a class of medications called osmotic laxatives. PEG 3350 is an addition polymer of ethylene oxide and water with formula H(OCH2CH2)n OH, in which n represents the average number of oxyethylene groups. The average molecular weight of PEG 3350 is 3015–3685 g/mol (Da). Acetaldehyde, Ethylene Oxide (EtO), 2-Chloroethanol (2-CE), Ethylene Glycol (EG), 1,4- Dioxane and Diethylene Glycol (DEG) are the probable impurities of PEG 3350. All these above impurities are highly toxic &amp; hazardous substances.&nbsp;</p><p>As per the USP monograph, different chromatography techniques and sample preparation methods are used to quantify above mentioned impurities. This study reports a single sensitive and reliable analytical method for quantitation of all above impurities by using dynamic headspace (Trap) coupled with GC-MS/MS system. Limit of impurities and detail method of analysis are shown in table 1.</p><p>This study reports highly sensitive single method for the simultaneous quantification of multiple probable impurities of PEG 3350 by using dynamic headspace (Trap) coupled with triple quadrupole gas chromatography (GC-MS/MS) system.&nbsp;</p><h4><strong>Materials and methods&nbsp;</strong></h4><p>For this study, individual impurity reference standards were procured from Sigma Aldrich, whereas PEG 3350 powder sample was procured from local medical store. 10% of PEG 3350 powder sample solution (as such sample solution) and respective levels of matrixmatched calibration standard solutions were prepared in acetonitrile. Standard addition method was used to quantify impurities in the PEG 3350 sample. This method was part validated with respect to (w.r.t) precision, linearity/accuracy and sample analysis. <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> equipped with headspace sampler <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=HS-20+NX"><strong>HS-20 NX </strong></a>(Trap) (Figure 1), manufactured by Shimadzu Corporation Japan, was used to quantify impurities in the PEG 3350 sample</p><h4><strong>Conclusion</strong></h4><ul><li>Trace level quantification of Acetaldehyde, EtO, 2-CE, 1,4-Dioxane, EG and DEG in PEG 3350 sample was successfully performed by using Shimadzu GCMS-TQ8050 NX with HS-20 NX (Trap) dynamic headspace sampler.</li><li>Dynamic headspace mode outperforms the current regulatory limits, delivering multifold times more sensitivity compared to other injection techniques.</li><li>Shimadzu GCMS-TQ8050 NX features a new highly efficient detector and superior noise reduction technology that enhance sensitivity and enables quantitation of impurities even at trace levels.</li></ul>

News from LabRulezGCMS Library - Week 38, 2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 15th September 2025? 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 application notes by <strong>Agilent Technologies, Shimadzu </strong>and <strong>Waters Corporation </strong>and<strong> </strong>poster by <strong>Thermo Fisher Scientific / HPLC Symposium!</strong></p><h3><strong>1. Agilent Technologies: A Direct Aqueous Injection Method for Contaminants in Drinking and Nonpotable Water</strong></h3><p><strong>Analysis of acrylamide, haloacetic acids, and β-estradiol in water with an Agilent 6495D LC/TQ</strong></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_aquesous_injection_method_water_6495d_lc_tq_5994_7973en_agilent_1_24e3a63a15.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Recent regulations, such as EU 2020/218, have included the addition of new emerging contaminants in drinking water and raw waters, which supply water-treatment works. Some of these new contaminants to be analyzed include acrylamide, HAAs, and β-estradiol. However, acrylamide and HAAs can be difficult to analyze due to their high polarity and high interferences from hard water samples. Additionally, β-estradiol requires a very low level of detection (1 ng/L) compared to the other compounds (acrylamide 0.1 µg/L and HAAs 60&nbsp;µg/L). The analysis uses a&nbsp;1290 Infinity II LC coupled to a&nbsp;6495D LC/TQ for analysis of water samples.</p><h4><strong>Experimental</strong></h4><h5><strong>Instrumentation&nbsp;</strong></h5><p>Chromatographic separation was performed using an <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=InfinityLab+Poroshell+120+Aq-C18"><strong>Agilent&nbsp;InfinityLab Poroshell 120 Aq-C18</strong></a>, 3.0 × 150&nbsp;mm, 2.7&nbsp;µm (part&nbsp;number 693675-742) installed on the&nbsp;1290&nbsp;Infinity II LC system. The individual modules of the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=1290+Infinity+II+LC"><strong>1290 Infinity II LC system</strong></a>&nbsp;included:</p><ul><li>Agilent 1290 Infinity II high‑speed pump (G7120A)&nbsp;</li><li>Agilent 1290 Infinity II autosampler (G7167B)&nbsp;</li><li>Agilent 1290 Infinity II multicolumn thermostat (G7116B)&nbsp;</li></ul><p>The <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=6495+LC%2FTQ"><strong>6495 LC/TQ</strong></a> with an Agilent&nbsp;Jet Stream (AJS) electrospray ion source was operated in dynamic multiple reaction monitoring (dMRM) mode. This mode allows more MRM transitions if future development is required for additional compounds. The LC/TQ autotune was performed in both unit and wide modes. All data acquisition and processing were performed using Agilent&nbsp;MassHunter software (version&nbsp;12).</p><h4><strong>Conclusion&nbsp;</strong></h4><p>This application note describes a highly sensitive and reproducible method for the fast and reliable quantitation of the listed compounds in water by direct injection. The dMRM method was created and optimized using Agilent MassHunter software and allows the addition of more MRM transitions if future development is required for additional compounds. An Agilent 1290 Infinity II LC coupled to an Agilent 6495D LC/TQ was used for the analysis. The 12-minute LC gradient method using an Agilent Aq-C18 column offered good chromatographic separation and RT distribution of all targets. The LC/TQ data acquisition was in dMRM mode with fast polarity switching for the most efficient use of instrument cycle time. The method performance was verified based on requirements for calibration curve linearity, instrument LOD, recovery, and precision. The results demonstrate the ability of the quantitative analytical method for emerging contaminants in water by direct injection.</p><h3><strong>2. Shimadzu: Short-Chain Oligonucleotide Analysis Using Supercritical Fluid Chromatography</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ap_aplnote100_en_23b7bffc7e.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Oligonucleotide therapeutics are drugs in which oligonucleotide is the active ingredient. Oligonucleotide therapeutics are manufactured through chemical synthesis, but impurities are produced during the process, so measurement and characterization of the impurities are required. Currently, reversed-phase ion-pair chromatography is often used for this analysis, but it is difficult to separate some impurities that are structurally similar to the target product. Therefore, a separation method with selectivity different from existing methods is required.&nbsp;</p><p>SFC is an analytical method that employs carbon dioxide as the mobile phase at temperatures and pressures above the respective critical points. Compared to liquids, carbon dioxide is reported to have high resolution and special selectivity as a component of SFC mobile phase because of its low viscosity and high diffusivity.&nbsp;</p><p>On the other hand, since the mobile phase containing carbon dioxide has low polarity, SFC was considered unsuitable for the analysis of highly polar compounds. However, in recent years, the composition of the modifier mixed with carbon dioxide and the choice of stationary phase have made it possible to analyze highly polar compounds,such as peptides and nucleotides2).&nbsp;</p><p>In this study, we evaluated the applicability of SFC to oligonucleotide analysis. Single-strand oligonucleotides of around 20-mer are often used as oligonucleotide therapeutics, but due to the extremely high polarity of the molecules and the difficulty of analysis, we first used 4-mer oligonucleotides for evaluation and investigated their basic retention behaviors.</p><h4><strong>Experimental</strong></h4><ul><li><strong>System:</strong> <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=1&amp;search=LCMS-9030"><strong>LCMS-9030</strong></a></li></ul><h4><strong>Conclusions&nbsp;</strong></h4><p>To evaluate the applicability of SFC for oligonucleotide analysis, we developed a separation method using 4-mer oligonucleotides with varying PS contents as model compounds and investigated their basic retention characteristics. First, we identified conditions that allowed oligonucleotides to elute, finding that a methanol-water mixture containing 50 mmol/L ammonium formate enabled elution and peak detection. Using these conditions, we analyzed T4 with varying PS contents on 12 columns, finding good separation with the Diol II column. To apply this method to more polar sequences, we re-evaluated modifier conditions and found that adding aminoethanol improved peak shape. Applying the optimized method to 14 oligonucleotide sequences showed that sequences with two or fewer G or C bases were suitable for this method. Additionally, higher-polarity sequences showed stronger retention, while oligonucleotides with varying PS contents showed weaker retention with higher polarity, indicating unique retention behavior for PS modifications. The high selectivity for sequences with different PS contents suggests that SFC can be applied to separating impurities with a PS linkage replaced by a PO linkage that can be included in PS-modified oligonucleotides in the synthesis process.&nbsp;</p><p>In the future study, the applicability of SFC to longer oligonucleotidesthan 4-mer will be evaluated.</p><h3><strong>3. Thermo Fisher Scientific / HPLC Symposium: Sensitive LC-MS method for the quantitative analysis of semaglutide and liraglutide in human plasma</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_sensitive_lc_ms_method_quantitative_analysis_semaglutide_po_en_592e7dcc4a.pdf"><strong>Full PDF for download</strong></a></li></ul><p>GLP-1 analogs have emerged as pivotal therapeutic agents in the management of type 2 diabetes and obesity. These analogs mimic the physiological actions of endogenous GLP-1, including enhancing glucose-dependent insulin secretion, suppressing glucagon release, delaying gastric emptying, and promoting satiety. Given their significant clinical utilities, accurate detection and quantification of GLP-1 analogs in human plasma are essential for pharmacokinetic studies, therapeutic monitoring, and ensuring patient safety. This study aims to develop a sensitive LC-MS method for the detection and quantitation of semaglutide and liraglutide in human plasma.</p><h4><strong>Materials and methods</strong></h4><h5><strong>Mass Spectrometry</strong></h5><p><span>&nbsp;</span>See Table 2 for detailed MS source and scan settings for the analysis GLP-1 analogs on <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/404"><strong>TSQ Altis Plus MS</strong></a>.&nbsp;</p><h5><strong>Data Analysis&nbsp;</strong></h5><p><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/74"><strong>Thermo Scientific Enterprise </strong></a>compliance ready Chromeleon CDS 7.3.2 software was used for all instrument control, data acquisition, processing, and reporting.</p><h4><strong>Conclusions&nbsp;</strong></h4><p>We demonstrated a comprehensive LCMS solution for highly sensitive quantitation of GLP-1 analogs in human plasma using the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/744"><strong>Vanquish UHPLC</strong></a> coupled to TSQ Altis Plus MS. The solution enables:&nbsp;</p><ul><li>Robust quantitation of semaglutide and liraglutide with a LOQ of 0.1 ng/mL&nbsp;</li><li>Excellent precision and accuracy across 3 orders of LDR for the analysis of GLP-1 analogs&nbsp;</li><li>Minimal carryover observied with post-injection signals remaining below 10% of the LOQ for semaglutide and below 14% for liraglutide following the highest concentration injection (100 ng/mL)</li></ul><h3><strong>4. Waters Corporation: Method Migration of a Reversed Phase TFAAcetonitrile Gradient Method From a Binary to a Quaternary System: Impact of Mixing</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720008689_en_51b4c42ae8.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Solvent mixing is critical to obtaining optimal gradient LC separations. The most commonly available pump mixing designs for reversed phase gradient HPLC separations are high pressure (typically binary) and low pressure (quaternary) systems. High pressure systems use independent pumps to deliver different solvents. Mixing occurs at high pressures with solvent composition controlled by the flow rates of the pump heads. In low pressure systems, solvent composition is controlled by a gradient proportioning valve. Each solvent is delivered in packets (based on the gradient specified in the method) which are mixed as they go through the pump head. High pressure systems have reduced dwell volumes and generally have improved compositional accuracy (leading to better retention time precision) over low pressure systems. Both high- and low-pressure systems are subject to mobile phase composition fluctuations. Mixers of various volumes and designs are utilized to help minimize these composition fluctuations by reducing baseline noise and oscillations in mobile phase composition.&nbsp;</p><p>The use of certain mobile phase modifiers is known to impact chromatographic baselines. Trifluoroacetic acid (TFA) is a commonly used ion-pairing reagent used in combination with acetonitrile for many gradient reversed phase applications. TFA absorbs strongly at wavelengths below 250 nm. Additionally, TFA is slightly retained on reversed phase columns which results in fluctuations in TFA concentration as the acetonitrile gradient passes through the column. In combination, these factors result in significant baseline disturbances (ripples) when TFAacetonitrile gradients are used at low wavelengths. These baseline ripples may make peak integration difficult and can impact the sensitivity along with peak area precision and retention time precision of the method.&nbsp;</p><p>Most modern HPLC systems typically include a standard mixer in the pump design. Additionally, different mixers may be available to improve mixing performance for specific applications. The effect that mixers have on chromatographic performance was demonstrated during the migration of a reversed phase TFA-acetonitrile gradient method from a binary system to the quaternary Alliance iS HPLC System.</p><h4><strong>Experimental</strong></h4><ul><li><strong>LC systems: </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/717"><strong>Alliance iS HPLC System</strong></a> Comparable Binary HPLC system (System X)&nbsp;</li><li><strong>Detection: </strong>UV Detector with 10 mm HPLC flow cell</li><li><strong>Column: </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1823"><strong>XBridge™ C18 Column</strong></a>, 5 µm 4.6 x 250 mm (p/n: 186003117)</li></ul><h5><strong>Data Management&nbsp;</strong></h5><ul><li><strong>Chromatography data system: </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/627"><strong>Empower™ 3.8.0.1</strong></a></li></ul><h4><strong>Conclusion&nbsp;</strong></h4><p>The differences in mixing performance between binary and quaternary HPLC Systems may impact method migration. Mixing performance is particularly important when migrating gradient TFA-acetonitrile methods at low wavelengths, as these methods are known to produce significant baseline noise (ripple). In this study, effect of mixers on chromatographic performance was demonstrated through the migration of the USP Tryptophan Organic Impurities method from a binary system to the quaternary Alliance iS HPLC System. The results show that the characteristic baseline ripple associated with TFA-Acetonitrile gradients at low wavelengths is impacted by the choice of mixer. The Alliance iS HPLC System with the 690 µL Ti diffusion bonded mixer displayed a significant reduction of baseline noise when compared against both the binary and quaternary systems equipped with their respective standard mixers. This resulted in easier peak integration, improved peak area and retention time reproducibility, and increased method sensitivity.</p>

News from LabRulezLCMS Library - Week 38, 2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezICPMS Library in the week of 15th September 2025? Check out new documents from the field of spectroscopy/spectrometry and related techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT SPECTROSCOPY/SPECTROMETRY 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://gcms.labrulez.com/library"><strong>LabRulezGCMS</strong></a> libraries.</p></blockquote><p>This week we bring you application note by <strong>Shimadzu</strong> and<strong> </strong>poster by <strong>Thermo Fisher Scientific!</strong></p><h3><strong>1. Shimadzu: Analyzing Microscopic Contaminants Embedded in Recycled Plastic</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_01001_en_79904665ce.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Reusing plastic waste is key to achieving a carbon-neutral society, which is why targets have been established for levels of recycled plastic in plastic products. But quality control of recycled plasticsis essential for maintaining the functional properties of plastic productssince impropersorting, transporting, and processing can all lead to contamination of recycled plastic. Determining the type and quantity of contaminants in recycled plastic is important since they can have a significant negative impact on product performance in certain applications.&nbsp;</p><p>Shimadzu’s infrared microscopes use high-speed mapping analysis to quickly find and characterize contaminants dispersed in recycled plastic, and Shimadzu’s particulate analysis program also provides a convenient and simple tool for determining the morphology and numbers of contaminants.&nbsp;</p><p>This Application News describes using this equipment and tools to analyze contaminants in recycled plastic material that was formed into a film.</p><h4><strong>High-Speed Mapping Analysis of Recycled Plastic</strong></h4><p>For recycled plastic with a relatively simple infrared spectrum, contaminants embedded in the plastic can be analyzed without removing them from the plastic. This is achieved by configuring wavenumber ranges (exclusion ranges) that exclude the peaks of the recycled plastic in the settings of the high-speed mapping software. In this example, a thermal press was used to form recycled plastic composed of PE and PP into a plastic film approximately 100 µm thick. The high-speed mapping settings were then configured to detect peaks in wavenumber regions that contain hydroxyl groups and carbonyl groups that are not normally found in PE or PP. Table 1 shows the analysis conditions in detail. Background readings were obtained from an area of the film with no contaminants.</p><ul><li><strong>Equipment:</strong> <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=1&amp;search=IRTracer-100"><strong>IRTracer-100</strong></a>, <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=1&amp;search=AIMsight+"><strong>AIMsight</strong></a>&nbsp;</li><li><strong>Software: </strong>AMsolution, high-speed mapping software, particle analysis program</li></ul><h4><strong>Conclusion&nbsp;</strong></h4><p>This Application News describes a simple and rapid method for analyzing and characterizing contaminants in recycled plastic using high-speed mapping analysis with an infrared microscope and data analysis with a particle analysis program. Areas of recycled plastic with no contaminants were scanned once, whereas areas with contaminants were scanned multiple times (50). This allowed a wide area of recycled plastic to be analyzed quickly with minimal noise in the recorded infrared spectra, reducing the analysis time to around just one-fifteenth of the time needed if every part of the recycled plastic was scanned 50 times. Also, using a thermal press to form recycled plastic pellets into a film enabled the efficient characterization of large numbers of contaminants by transmission spectroscopy and the ability to calculate their numbers in the pellets.</p><h3><strong>2. Thermo Fisher Scientific: Highly sensitive analysis of distillate products per ASTM Method D8110 using single quadrupole ICP-MS</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_highly_sensitive_astm_method_d8110_single_quadrupole_icp_ms_po_en_d7c721bc97.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Control of impurities in the petrochemical industry is an essential step to ensure the quality of the crude, intermediates, and finished products. In many laboratories, the analysis of crude, intermediates, and finished products, including light and middle distillates for trace elements, is accomplished using inductively coupled plasma optical emission spectrometry (ICP-OES) or inductively coupled plasma mass spectrometry (ICP-MS). However, the regulations and specifications for content of elemental impurities are becoming more stringent, which enforces determination of these impurities at lower concentration levels. Due to its higher sensitivity and specificity, ICP-MS is becoming the technology of choice for laboratories. The American Society for Testing and Materials (ASTM) issues standard D8110 that outlines the specifications and test method for elemental analysis of distillate products by ICP-MS. Analysis of combustible organic samples like naphtha, vacuum gas oil (VGO), or aviation turbine fuel (ATF) using ICP-MS could be challenging compared to conventional aqueous samples mainly because unexpected and intermittent extinguishing of plasma as well as carbon deposition in the interface region extracting ions into the mass spectrometer. The direct introduction of volatile organics increases the plasma load due to their high vapor pressure, causes destabilization of plasma and results in poor sensitivity and precision of measurements. Carbon-based interference on key analytes, such as chromium or vanadium, cause additional concerns but can typically be overcome using kinetic energy discrimination (KED) on single quadrupole instruments, or other typical gases used in collision/reaction cells1 . This poster discusses a complete workflow developed using the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1487"><strong>Thermo Scientific iCAP MSX ICP-MS</strong></a> (Figure 1) for the sensitive determination of elemental impurities in typical distillate samples including light naphtha, heavy naphtha, and crude oil samples.</p><h4><strong>Materials and methods</strong></h4><p>An analytical method was developed with single quadrupole ICP-MS (iCAP MSX ICP-MS) for elemental analysis of a range of typical petroleum samples with varying physical and chemical properties.</p><h5><strong>Data Analysis&nbsp;</strong></h5><p>The data acquisition and processing were done using <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1489"><strong>Thermo Scientific Qtegra Intelligent Scientific Data Solution (ISDS) Software</strong></a>.</p><h4><strong>Conclusions&nbsp;</strong></h4><p>The results obtained from the experiments described in this application note demonstrate the following:&nbsp;</p><ul><li>The proposed method and instrument set-up for elemental analysis of different petroleum products using the iCAP MSX ICP-MS represents a viable solution for laboratories performing oil and refinery product testing.&nbsp;</li><li>The combination of the sample introduction system together with a uniquely robust plasma generation system and a powerful CRC allows for sensitive analysis and comprehensive interference removal for all elements commonly analyzed in the industry.&nbsp;</li><li>The use of KED with helium provided effective for removal of polyatomic interferences commonly observed in such challenging matrices, as was demonstrated by the detection limits and blank equivalent concentrations (BECs) achieved.&nbsp;</li><li>The method therefore allows the accurate and precise determination of a total of 28 elements in different kinds of distillate products, as was demonstrated by the results obtained in the spike recovery test.&nbsp;</li><li>If needed, other reactive gases can be used in a multi-mode analysis performed during a single aspiration of a sample, including alternative cell gases such as hydrogen. Thanks to the fast gas switching in the QCell CRC, the added time for switching cell gases is often negligible for the overall analysis time per sample.&nbsp;</li><li>The novel design of the sample introduction system of the iCAP MSX ICP-MS allows to easily switch between oxygen addition and the use of argon gas dilution without the need to change gas connections.</li></ul>

News from LabRulezICPMS Library - Week 38, 2025

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The impact of the menstrual cycle on skin volatile profiles (Marion Risse, MDCW 2025)

News from LabRulezICPMS Library - Week 38, 2025

News from LabRulezLCMS Library - Week 38, 2025

News from LabRulezGCMS Library - Week 38, 2025

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Freedom to Fragment: Introduction

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Wiley adds Raman data to its KnowItAll libraries, including microplastics, biopolymers, polymer and monomers, and minerals

Clarity chromatograhy software: Tutorial - Sequence window - Overview

Webinars LabRulezICPMS Week 38/2025

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LECO Training Course Pegasus BT/BT4D BTX/BTX4D

LECO Training Course CS-744/844 Series & ON/ONH-736/836 Series

Bruker at SOFT-TIAFT 2026

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Unlocking the Solid Form: XRD Solutions for Pharmaceutical Development and Manufacturing

XFlash® FlatQUAD 2L: Step Into The Future of SEM Elemental Analysis