<p><strong>In the week of August 11, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.</strong></p><blockquote><p class="cke-user_style-important"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></p><p class="cke-user_style-important"><strong>👉 Search and filter in the largest global database</strong> with over <strong>4 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Separation Science/Wiley Science Solutions: Automate Non-Targeted LC-MS/MS and GC-MS Component Identification</strong></h5><ul><li>Th, 14.8.2025 16:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5360">Registration</a></li></ul><p>Streamline LC-MS and GC-MS workflows with Wiley’s KnowItAll software—automate unknown identification, search 8.5M+ spectra, and explore real-world application examples in this expert-led session.</p><h5><strong>2. Agilent Technologies: Quantitation Modeling for FTIR and Raman Measurements</strong></h5><ul><li>Th, 14.8.2025 20:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4927">Registration</a></li></ul><p>Learn how to develop robust models for FTIR quantitative analysis using the Cary 630 FTIR spectrometer and MicroLab FTIR software, including practical guidance and case studies.</p>

Webinars LabRulezGCMS Week 33/2025

<p><strong>In the week of August 11, the following webinars await you in the field of liquid phase and especially HPLC and LC/MS.</strong></p><blockquote><p class="cke-user_style-important"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></p><p class="cke-user_style-important"><strong>👉 Search and filter in the largest global database</strong> with over <strong>4 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. C&amp;EN/Waters Corporation: Next Level Purification Efficiency for Small Molecule Targets and Beyond</strong></h5><ul><li>Tu, 12.8.2025 00:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5278">Registration</a></li></ul><p>Discover how to tackle non-specific adsorbers (NSAs) in prep HPLC using new inert OBD column technology—improving purity, yield, and recovery of metal-sensitive or low-level compounds.</p><h5><strong>2. Phenomenex: Chromatography Modes Explained: Mastering Reversed Phase</strong></h5><ul><li>We, 13.8.2025 10:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5358">Registration</a></li></ul><p>Explore reversed phase separation mode—chromatographic interactions, mobile phases, and stationary phases—with expert insights from Grace Guo of Phenomenex.</p><h5><strong>3. Technology Networks/Thermo Fisher Scientific: Optimizing Bispecific Antibody Purification: Case Studies and Strategies</strong></h5><ul><li>We, 13.8.2025 17:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5324">Registration</a></li></ul><p>Discover chromatography strategies for purifying bispecific antibodies. Learn about optimal capture/polish techniques and matrix selection for complex therapeutic formats.</p><h5><strong>4. C&amp;EN/Metrohm: Beyond the Method: Uncovering the Limits of PFAS Detection with Combustion Ion Chromatography</strong></h5><ul><li>We, 13.8.2025 19:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5348">Registration</a></li></ul><p>Explore how CIC expands PFAS detection beyond LC-MS/MS with AOF and EOF testing. Learn method development tips, recovery strategies, and future trends in non-target fluorine analysis.</p><h5><strong>5. Agilent Technologies: Preventative and Routine Maintenance for Your HPLC System</strong></h5><ul><li>We, 13.8.2025 20:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5035">Registration</a></li></ul><p>This presentation will look at several key issues, such as how often typical preventive maintenance (PM) tasks should be performed.</p><h5><strong>6. Thermo Fisher Scientific: Unlocking the Secrets of Complex Pesticide Residues: Advanced Techniques with Compound Discoverer Software</strong></h5><ul><li>Th, 14.8.2025 06:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4863">Registration</a></li></ul><p>Discover how Thermo Scientific™ Compound Discoverer™ software is revolutionizing the analysis process and uncover the latest advancements in this innovative solution.</p><h5><strong>7. Agilent Technologies: Enabling Workflow Solutions for Pharmaceutical Analysis</strong></h5><ul><li>Th, 14.8.2025 07:30 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5311">Registration</a></li></ul><p>Get expert tips on choosing the right LC column. See how Agilent OpenLab CDS &amp; SLIMS can modernize academic labs through digital workflows and smarter data handling.</p><h5><strong>8. Separation Science/Wiley Science Solutions: Automate Non-Targeted LC-MS/MS and GC-MS Component Identification</strong></h5><ul><li>Th, 14.8.2025 16:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5360">Registration</a></li></ul><p>Streamline LC-MS and GC-MS workflows with Wiley’s KnowItAll software—automate unknown identification, search 8.5M+ spectra, and explore real-world application examples in this expert-led session.</p><h5><strong>9. Waters Corporation: Empower Tips: Ask Me Anything About ALCOA++ Best Practices in Empower Software</strong></h5><ul><li>Th, 14.8.2025 16:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5289">Registration</a></li></ul><p>Explore how Empower Software supports compliance with ALCOA++ principles—ensuring your data is attributable, legible, contemporaneous, original, accurate, and more.</p><h5><strong>10. C&amp;EN/Agilent Technologies: Advanced HILIC Workflows for GLP-1 Agonist Impurity Profiling - Session 1</strong></h5><ul><li>Th, 14.8.2025 17:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5349">Registration</a></li></ul><p>Learn how HILIC-UV/MS and HILIC-ELSD workflows enable robust impurity profiling of GLP-1 agonists like Semaglutide by minimizing adsorption and enhancing recovery.</p>

Webinars LabRulezLCMS Week 33/2025

<p><strong>In the week from August 11, the following webinars await you in the field of atomic and molecular spectroscopy and spectrometry</strong></p><blockquote><p class="cke-user_style-important"><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></p><p class="cke-user_style-important"><strong>👉 Search and filter in the largest global database</strong> with over <strong>4 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. C&amp;EN/Magritek: One for All: Spinsolve NMR with Unlimited Nuclei and Variable Temperature Right on Your Bench</strong></h5><ul><li>Tu, 12.8.2025 17:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5323">Registration</a></li></ul><p>This webinar will present and discuss the latest developments in benchtop NMR technology incorporated into the Spinsolve with practical real-world examples.</p><h5><strong>2. Agilent Technologies: How to Streamline Elemental Analysis of Lithium-ion Battery Samples using an ICP-OES and an Auto-dilutor</strong></h5><ul><li>Tu, 12.8.2025 21:30 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4914">Registration</a></li></ul><p>See how a modern ICP-OES and an auto-dilutor can work together to increase productivity and avoid common challenges with complex lithium-ion battery sample matrices.</p><h5><strong>3. SPECTRO Analytical Instruments: Automatic ICP-OES Analysis of Lubricating Oils, Fuels, Coolants and AdBlue</strong></h5><ul><li>Th, 14.8.2025 10:30 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5376">Registration</a></li></ul><p>Explore how ICP-OES enhances elemental analysis of oils, fuels, coolants, and AdBlue. Learn automation tips, best practices, and ask your questions live.</p><h5><strong>4. LECO: Determination of Total Carbon and Nitrogen in Soil using the LECO CN828 and CN928</strong></h5><ul><li>Th, 14.8.2025 16:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5245">Registration</a></li></ul><p>Discover how LECO CN828 and CN928 elemental analyzers enable precise and efficient total carbon and nitrogen quantification in soil samples.</p><h5><strong>5. Agilent Technologies: Quantitation Modeling for FTIR and Raman Measurements</strong></h5><ul><li>Th, 14.8.2025 20:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4927">Registration</a></li></ul><p>Learn how to develop quantitative analysis models for FTIR using the Cary 630 FTIR spectrometer and MicroLab FTIR software, with practical guidance and examples.</p>

Webinars LabRulezICPMS Week 33/2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 11th August 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 poster by <strong>Agilent Technologies / ASMS, application note </strong>by<strong> Shimadzu </strong>and technical note by<strong> Thermo Fisher Scientific!</strong></p><h3><strong>1. Agilent Technologies / ASMS: Fully Automated Workflow for Volatile PFAS Analysis in Food Contact Materials Using GC-Triple Quadrupole</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ps_7010d_pal_autusampler_pfas_asms_2025_tp_456_en_agilent_50ffdde82b.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The analysis of per- and polyfluoroalkyl substances (PFAS) in food contact materials (FCMs) is crucial due to potential health and environmental concerns. Increased PFAS testing is needed to meet public demands and new regulations. Gas Chromatography coupled with Triple Quadrupole Mass Spectrometry (GC/TQ) offers a robust and sensitive method for detecting volatile PFAS. However, manual sample preparation could pose a bottleneck, impacting lab productivity. This study presents a robust and fully automated method using the PAL3 platform with GC/TQ for quantifying more than 30 volatile PFAS in FCMs, such as paper coffee cups. The automation approach minimizes human error, improving reliability and reproducibility for routine analysis and safety assessments of PFAS in FCMs.</p><h4><strong>Experimental</strong></h4><h5><strong>Automated Sample Preparation</strong>&nbsp;</h5><p>The integrated 120 cm <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=PAL3"><strong>PAL3</strong> <strong>Series 2 RTC autosampler</strong></a><strong>,</strong> paired with the Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7010D+GC%2FMS"><strong>7010D GC/TQ</strong></a>, facilitated a fully automated PFAS quantitation workflow using a paper cup matrix. It served as an automated liquid handling platform for preparing calibration standards, extracting samples, and injecting them into the GC/TQ system, equipped with essential tools and modules.</p><h5><strong>GCMS Instrumentation&nbsp;</strong></h5><p>The 7010D GC/TQ with HES 2.0 ion source was coupled to an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890+GC"><strong>8890 GC</strong></a> system equipped with an MMI inlet and splitless liner (p/n 5190-2293). SWARM autotune optimized the instrument settings. The Agilent 8890 GC, operated in pulsed splitless mode with a splitless inlet liner, was used for analysis. The PAL3-GC/TQ system, managed by <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=MassHunter+Acquisition+software"><strong>MassHunter Acquisition 13.0 software</strong></a>, provided an integrated single-software experience. <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=MassHunter+Optimizer"><strong>MassHunter Optimizer</strong></a> was used to obtain MRM transitions for 34 targets, along with collision energies1 . Instrument operating conditions and parameters are given in the table below</p><h4><strong>Conclusions</strong></h4><ul><li>This study demonstrated a robust, fully automated method for analyzing volatile PFAS in FCMs using the PAL3 Series 2 RTC autosampler and Agilent 7010D GC/TQ system.&nbsp;</li><li>Method detection limits (MDL), linearity, retention time (RT) precision, area precision, and QC recovery was performed to assess the workflow performance.&nbsp;</li><li>The MassHunter Optimizer simplified method development, while the HES 2.0 ion source provided exceptional sensitivity, achieving sub-ppb MDLs.&nbsp;</li><li>For all FTOHs, an LOQ of 20 μg/kg with recoveries of 65% to 135% and %RSD &lt; 10% were achieved, highlighting the high extraction efficiency, accuracy and reliability of the automated workflow.&nbsp;</li><li>Automation reduces human errors, decreases chemical usage, and enhances productivity, offering reliable trace-level volatile PFAS monitoring in FCMs for regulatory guidance.</li></ul><h3><strong>2. Shimadzu: Analysis of Benzene and Toluene by </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Brevis+GC-2050"><strong>Brevis GC-2050</strong></a><strong> Using ASTM D3606&nbsp;</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00902_en_41581fffcc.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>User Benefits</strong></h4><ul><li>Quantitation of benzene and toluene in fuels based on ASTM D3606 is possible.&nbsp;</li><li>Highly accurate backflush analysis is possible by using the SMI flow device.&nbsp;</li><li>The compact design of the Brevis GC-2050 enables space-saving in the laboratory.</li></ul><p>Benzene and toluene are widely used as feedstocks for chemical products, but due to concerns about their effects on human health, the permissible concentrations of these two compounds are specified in various regulations. ASTM D3606 1) provides two quantification methods (Procedures A and B) for benzene and toluene in automotive fuels. The corresponding concentrations of benzene and toluene are 0.12-5.2 Vol% and 0.4-19.7 Vol% when using Procedure A and 0.10-5.0 Vol% and 2.0-20.0 Vol% when using Procedure B. In this Application News article, benzene and toluene were quantified by Procedure A in ASTM D3606. Satisfactory linearity of the calibration curves and reproducibility of the quantitation values could be obtained for both compounds.</p><h4><strong>System Configuration and Analysis Conditions</strong></h4><p>Table 1 shows the system configuration and analysis conditions. The compact <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Brevis+GC-2050"><strong>Brevis GC-2050,</strong></a> with a width of about 35 cm, can contribute to space-saving in the laboratory while also demonstrating high analytical performance. In procedure A, benzene and toluene are measured with a backflush system using a capillary column. Backflush has the advantage of shortening the analysis time. Fig. 1 shows a schematic diagram of the backflush system. In addition to the FID detector (FID1) connected to the Wax analytical column, a second FID detector (FID2) which is connected to the restrictor tube, is used for monitoring to determine the timing of backflushing. The gas that flows through the columns is supplied from the injection port (SPL) and digital flow controller (AUX-APC). This is connected to discs called an SMI Flow Disc and 2-DET Splitter, which are used to split the flow to the two detectors. The SMI Flow Disc is a flow device for capillary analysis, and has the features of minimal leakage, a low dead volume, a low heat capacity, and inertness. For this reason, the device has the advantages that the temperature inside the device easily follows the temperature of the column oven, and it is also possible to analyze components with high adsorptivity. Before backflushing, the SPL pressure is set high, and during the backflush operation, the gas in the pre-column is made to flow in the reverse direction (backflushed) by changing the pressures of the SPL and AUX-APC. In this experiment, the initial backflush time was set to 3.1 min to match the elution time of toluene (Fig. 2).</p><h4><strong>Conclusion</strong></h4><p>Using the Brevis GC-2050, an analysis of benzene and toluene as specified in ASTM D3606 was conducted. The analysis time could be shortened by using a backflush system. As the quantitation values of benzene and toluene were within the standard range for both reproducibility and repeatability, satisfactory results were obtained.</p><h3><strong>3. Thermo Fisher Scientific: How NeverVent technology enables consistent uptime for continued lab operation&nbsp;</strong></h3><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/sl_003311_gc_vacuum_probe_interlock_nevervent_food_beverage_sl003311_na_en_529ea8c8af.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>Benefit summary&nbsp;</strong></h4><ul><li>Eliminates unnecessary downtime&nbsp;</li><li>Maintains productivity&nbsp;</li><li>Simplifies maintenance&nbsp;</li><li>Enables disruption-free ionization type change&nbsp;</li><li>Increases ROI</li></ul><h4><strong>What is NeverVent technology and how does it work?&nbsp;</strong></h4><p><strong>Thermo Scientific™ NeverVent ™ technology</strong> is unique to <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products?category=5&amp;manufacturerItems=3"><strong>Thermo Fisher Scientific’s GC-MS products</strong></a>. It allows for routine maintenance, exchange of ionization mode, and direct probe work to be performed without the need to break the vacuum of the mass spectrometer:&nbsp;</p><ul><li><strong>Removing/replacing the ionization source:</strong> Utilizing the vacuum probe interlock (VPI) in combination with an isolation valve, the ionization source can be removed the from the system without venting the MS. The source can either be cleaned or replaced with a spare clean source, and samples can be run without long stabilization times which would be required if the system was vented.&nbsp;</li><li><strong>Changing ionization type: </strong>Using the VPI, the ionization source can be replaced with a different type of ionization source, for example, switching from Electron Ionization (EI) to Chemical ionization (CI) within a few minutes.&nbsp;</li><li><strong>Using direct sampling probes: </strong>The VPI also allows the use of direct probes on some NeverVent GC-MS systems. This enables direct sampling into the MS system, bypassing the GC separation, and is useful in compound characterization and when analyzing very difficult to volatilize samples like oils or metal complexes.&nbsp;</li><li><strong>Changing the GC column without venting: </strong>When performing common column maintenance like trimming, or replacing the column entirely, the V-Lock Source Plug allows the MS to be sealed off from inside the manifold. Columns can be exchanged or maintained without ever breaking vacuum.</li></ul><h4><strong>What are the benefits to NeverVent technology?&nbsp;</strong></h4><p>NeverVent technology allows a significant increase in instrument uptime. On a traditional GC-MS when performing maintenance, such as ionization source cleaning or column exchange, the MS must be vented. Venting the MS introduces air and moisture into the system. Once the maintenance is performed, the system is then pumped back down to vacuum and a stabilization period is required to ensure air and moisture are evacuated from the system. This process often takes overnight to complete and means samples cannot be run until the following day.</p><p>&nbsp;Due to the unique design of a NeverVent GC-MS system, the vacuum is maintained which means samples can be run shortly after the maintenance is performed. This could be the difference betwen running a batch of samples overnight or waiting for a system to be ready to run. Utilizing NeverVent technology eliminates unnecessary instrument downtime due to venting the systems during maintenance, thus increasing productivity. Figure 2 highlights the time savings that can be achieved with NeverVent technology.&nbsp;</p><p>For a typical GC-MS system where maintenance on the source is performed every three months, NeverVent technology can give you an extra four days of operation per year. When adding in column and ionization mode changings, the productivity gains are even more significant.</p>

News from LabRulezGCMS Library - Week 33, 2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 11th August 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 posters by <strong>Agilent Technologies / ASMS </strong>and <strong>Thermo Fisher Scientific / ASMS </strong>and application notes by <strong>Shimadzu </strong>and<strong> Waters Corporation!</strong></p><h3><strong>1. Agilent Technologies / ASMS: Fully Automated Sensitive Quantitation of PFAS in Seafood for Regulatory Screening Using Triple Quadrupole LC/MS&nbsp;</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ps_6495d_pal3_pfas_asms_2025_mp_240_en_agilent_234d300c8d.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Per- and polyfluoroalkyl substances (PFAS) are extensively found in marine life, posing health risks through seafood consumption. Seafood is one of the regulated matrices by the U.S. FDA, EU, EURL POPs, and AOAC. Regulatory and standard-making bodies like the U.S. FDA, EFSA, EURL POPs, and AOAC have set stringent guidelines for PFAS levels in seafood. Detecting trace PFAS level is challenging due to complex sample preparation like QuEChERS extraction followed by SPE cleanup, and evaporation/reconstitution. The manual steps can be labor-intensive and error-prone, affecting accuracy and reliability. This study developed a fully automated workflow for PFAS quantitation in seafood – shrimp.</p><h4><strong>Experimental</strong></h4><h5><strong>Instrumentation&nbsp;</strong></h5><p>An integrated 160 cm <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=+PAL3"><strong>PAL3 Series 2 RTC autosampler</strong></a> coupled with a<a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=+6495D+LC%2FMS"><strong> 6495D LC/TQ</strong></a> (Figure 1) was employed. The PAL3 platform performed automated sample preparation, while TQ data acquisition and analysis were conducted in parallel. LC system comprised of two modules; an Agilent 1290 Infinity II high-speed pump and an Agilent 1290 Infinity II multicolumn thermostat. The study utilized the following tools and modules: two PAL park stations with three liquid syringe tools, a dilutor tool, a micro-SPE tool, an LC/MS tool, a vortex mixer, a centrifuge, a dilutor multi, a tray cooler (for 2/10/20 mL vials), tray holders with rack R60 (for 10/20 mL vials), a micro-SPE tray (for 2 mL vials and micro-SPE cartridges), a solvent module, a fast wash module, and an LC injection valve. The details of various consumables used for this study are provided elsewhere.1</p><h4><strong>Conclusions</strong></h4><ul><li>The integrated system allows sample preparation and data analysis to run in parallel, offering a streamlined workflow and improving productivity for routine laboratory operations.&nbsp;</li><li>The automated workflow significantly reduces manual intervention, minimizing human error and enhancing the precision of the analysis.&nbsp;</li><li>The integration of automated sample preparation techniques with the highly sensitive 6495D LC/TQ ensures consistent and reproducible results, which are critical for regulatory compliance.&nbsp;</li><li>The workflow demonstrated excellent analytical performance meeting the stringent regulatory requirements and recommendations for PFAS in seafood matrices set by the U.S. FDA, EU, EURL POPs, and AOAC.</li></ul><h3><strong>2. Shimadzu: Determination of PFASs in Food Contact Material by </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=1&amp;search=LCMS-8050"><strong>LCMS-8050</strong></a></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_03_lcmsms_961_en_34db9cd4cb.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Due to the unique physical and chemical properties of per- and polyfluoroalkyl substances (PFASs), such as reducing surface tension, good stability, hydrophobicity, and hydrophilic, so it is very widely used in the field of food contact materials. It is mainly used for the production of plastic film, PVC food packaging, waterproof, and oil-proof coating on the surface of food packaging (such as waterproof oil paper products) and non-stick cooker coating, etc. Research has shown that PFASs will migrate from food contact materials to food, and then contaminate the food that comes into contact with it, entering the human body. PFASs are very stable, difficult to be metabolized and biodegraded in the body, and exhibit the characteristics of persistence, accumulation, and long-distance migration. It can be accumulated and amplified in the food chain and enriched in the organisms, endangering human health.&nbsp;</p><p>Refer to the sample preparation method in GB 31604.35-2016, determination of both Perfluorooctane Sulfonates (PFOS) and Perfluorooctanoic Acid (PFOA), an analytical method for the determination of 17 perfluorinated compounds in food contact materials was built.</p><h4><strong>Analysis Conditions</strong></h4><h5><strong>System: </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=1&amp;search=Nexera+XS"><strong>Nexera XS&nbsp;</strong></a></h5><ul><li>Column : Shim-pack GIST C18-AQ HP (2.1 mm I.D.×100 mm, 1.9 μm)</li><li>Temperature : 30 ˚C&nbsp;</li><li>Injection volume : 5 µL&nbsp;</li><li>Mobile phases : A-5 mM ammonium acetate in Water B-ACN&nbsp;</li><li>Flow rate : 0.3 mL/min&nbsp;</li><li>Elution mode : Gradient elution&nbsp;</li><li>Time program (%B) : 15% (0 min) → 15% (2.5 min) →98% (10-12 min) → 15% (12.1-15 min)&nbsp;</li></ul><h5><strong>System: </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=1&amp;search=LCMS-8050"><strong>LCMS-8050</strong></a><strong> (ESI Negative)&nbsp;</strong></h5><ul><li>Nebulizing gas : 3 L/min&nbsp;</li><li>Drying gas : 10 L/min&nbsp;</li><li>Heating gas : 10 L/min&nbsp;</li><li>DL temp. : 250 ˚C&nbsp;</li><li>Heat block temp. : 400 ˚C&nbsp;</li><li>Interface temp. : 300 ˚C</li></ul><h4><strong>Conclusion&nbsp;</strong></h4><p>Utilizing the LCMS-8050 system for quantitative analysis of PFASs in Food Contact Material revealed that the method can accurately determine PFASs levels within a broad concentration range of 0.05 to 5 ng/mL. This approach exhibits several notable advantages, including excellent repeatability, stability, and reliability.</p><h3><strong>3. Thermo Fisher Scientific / ASMS: Leveraging advanced mass spectrometry technology with </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1959"><strong>Orbitrap Astral Zoom MS</strong></a><strong> for in depth immunopeptidome profiling&nbsp;</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_414_advanced_mass_spec_technology_orbitrap_astral_zoom_po414_asms2025_en_3ca6419434.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Immunopeptidomics is the study of the peptides presented by MHC molecules on the surface of cells. These MHC peptides have major implications for many areas of research, including immunotherapy and personalized medicine. Mass spectrometry allows for direct immunopeptidomics analysis, enabling simultaneous identification and quantification of thousands of MHC peptides in a single run. The new <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1959"><strong>Orbitrap Astral Zoom MS </strong></a>has enabled new levels of sensitivity and selectivity to provide deeper insights into the immunopeptidome.</p><h4><strong>Materials and methods</strong></h4><h5><strong>LC-MS/MS method&nbsp;</strong></h5><p>Peptides were separated on a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/398"><strong>Vanquish Neo UHPLC System</strong></a> using Aurora Ultimate column (25 cmx 75µm). Total run time was 72 min. Thermo Scientific EASY-Spray Ion Source was used coupled to the Thermo Scientific FAIMS Pro Duo interface. Peptides were analyzed by the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1959"><strong>Orbitrap Astral Zoom MS</strong></a>.</p><h5><strong>Data Processing&nbsp;</strong></h5><p>The data analysis was performed using PEAKS Studio 12 with DeepNovo Peptidome workflow for database search and de novo peptides identification. Spectra were searched against UniProt human database (20,607 sequences) with no-enzyme option. The sequence motif and binding properties of 9-mer peptides were analyzed using MHCMotifDecon 1.2 and NetMHCpan 4.0.</p><h4><strong>Conclusions&nbsp;</strong></h4><ul><li>Orbitrap Astral Zoom MS equipped with FAIMS Pro Duo interface and coupled to Vanquish Neo UHPLC system provides high sensitivity and the dynamic range necessary for deeper coverage of immunopeptidomic samples</li><li>The low input application mode on Orbitrap Astral Zoom MS offers the sensitivity necessary to analyze low levels of material equivalent to samples ectracted from tissue biopsy samples</li><li>Loading capacity is not limited by MS allowing analyses from ultra low (1e5) to high (1e8) loads of sample&nbsp;</li><li>FAIMS enables the analysis of singly and multiply charged ions enhancing the immunopeptidome coverage&nbsp;</li><li>AGC modulates injection times for each peptide, producing high quality spectra across a wide range of loading levels. This spectral quality is crucial for downstream analysis and confident identification and quantitation of neoantigens</li></ul><h3><strong>4. Waters Corporation: Optimization of Detector Parameters to Improve Sensitivity using the </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/717"><strong>Alliance™ iS HPLC System </strong></a><strong>with PDA Detector</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720008901_en_70df6fce93.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>Benefits&nbsp;</strong></h4><ul><li>The Alliance iS HPLC System with PDA Detector allows the user to easily modify PDA settings to obtain optimal performance, including signal-to-noise</li><li>The Alliance iS HPLC System with PDA Detector has a range of parameters, including variable slit width and wide resolution range for method optimization</li><li>Optimization of the PDA settings produced a S/N ratio increase of 7x</li></ul><p>Default PDA instrument method settings are frequently used for running HPLC methods. When running a method for the first time, these default settings are a good starting point and often produce suitable chromatography. However, detector parameters may need to be modified to obtain optimal separations. In this study, the USP method for organic impurities in ibuprofen tablets was used to show how the Alliance iS HPLC System with PDA Detector parameters may be optimized to improve sensitivity. The USP S/N ratio was used to define sensitivity. The method is a reversed-phase isocratic method with UV detection (254 nm). The method’s system suitability criteria includes a S/N ratio of not less than (NLT) 10 for a 5-ppm solution of ibuprofen.&nbsp;</p><p>The Alliance iS HPLC System with PDA Detector settings that were evaluated and optimized for their impact on sensitivity included data rate, filter time constant, slit width, resolution, and absorbance compensation.&nbsp;</p><ul><li><strong>Data rate:</strong> The data rate defines the rate that the detector collects data, measured in hertz (Hz). The data rate should be set to yield reproducible peak area and retention times. Data rates that are too low will result in poorly defined peaks; high data rates may result in increased noise. Generally, the data rate is set to collect 25-50 points across the narrowest peak in the chromatogram. The data rate of the Alliance iS HPLC Systém with PDA Detector has settable values of 1–160 Hz. The default data rate is 10 Hz.&nbsp;</li><li><strong>Filter time constant: </strong>The filter time constant is a noise filter that filters out high frequency noise. Faster time constants produce narrower peaks and remove less baseline noise. Slower time constants result in broader peaks and decreased baseline noise. The Alliance iS HPLC System with PDA Detector has the following filter time constant options: no filter, slow, normal, fast, and custom. The default selection is normal.</li><li><strong>Slit width:</strong> Slit width is an added feature available in the Alliance iS HPLC System with PDA Detector. The slit width determines the amount of light that reaches the photodiode array sensor which impacts resolution. Smaller slit widths result in improved resolution. Larger slit widths produce less noise and increased sensitivity, but at the cost of lower resolution. The Alliance iS HPLC System with PDA Detector has a variable slit, with available slit width sizes of 35 µm, 50 µm, 100 µm, and 150 µm. The detector’s default slit width is 50 µm.</li><li><strong>Resolution:</strong> The resolution setting determines bandwidth, which is the number of diode responses that are averaged when calculating the absorbance at a specified wavelength. Larger values result in less noise and a better S/N ratio, but they also produce decreased spectral resolution and can impact linearity. Resolution on the Alliance iS HPLC System with PDA Detector is settable over a range of 1<span>–</span>20 nm. The default value is 4 nm.&nbsp;</li><li><span style="font-family:&quot;Arial&quot;,sans-serif;"><strong>A</strong></span><strong>bsorbance compensation</strong>: The absorbance compensation feature of the Alliance iS HPLC System with PDA Detector provides a way to reduce non-wavelength dependent noise. This is achieved by collecting absorbance data over a user-specified wavelength range where there is little or no absorption and calculating the average absorbance. This average absorbance is then subtracted from the absorbance value. The Alliance iS HPLC System with PDA Detector default setting for absorbance compensation is ‘off’.</li></ul><p>Using the USP method, each of these detector settings were individually evaluated and optimized. A method was created using the optimized settings and the results were compared to those obtained using default values.</p><h4><strong>Experimental</strong></h4><h5><strong>LC Conditions&nbsp;</strong></h5><ul><li><strong>LC system: </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/717"><strong>Alliance iS HPLC System</strong></a> with PDA Detector&nbsp;</li><li><strong>Detection:</strong> PDA Detector with 10 mm flow cell</li><li><strong>Column: </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1823"><strong>XBridge™ BEH™ C18</strong></a>, 250 x 4.6 mm; 5 µm (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™ Chromatography Data System (CDS)</strong></a></li></ul><h4><strong>Conclusion</strong></h4><p>While default PDA instrument method settings may be suitable for routine HPLC analysis, they may need to be adjusted to produce optimal separations. This study demonstrated how the Alliance iS HPLC System with PDA Detector allows the user to easily modify PDA settings to obtain optimal separations. Using the USP method for organic impurities in ibuprofen tablets, the data rate, filter time constant, slit width, resolution, and absorbance compensation settings were optimized. The optimized settings produced a 7-fold increase in sensitivity over that obtained using default values.</p>

News from LabRulezLCMS Library - Week 33, 2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezICPMS Library in the week of 11th August 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 guide by <strong>Agilent Technologies, </strong>brochure by<strong> Anton Paar </strong>and<strong> </strong>application notes by<strong> Metrohm </strong>and <strong>Shimadzu!</strong></p><h3><strong>1. Agilent Technologies: AA Troubleshooting and Maintenance Guide&nbsp;</strong></h3><p><strong>Tips, tricks, and good advice for ensuring your AA instruments achieve the best performance</strong></p><ul><li>Guide</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/technicaloverview_AA_guide_5994_0858_EN_agilent_bc66e8fc7b.pdf"><strong>Full PDF for download</strong></a></li></ul><p>This Agilent guide provides practical advice for maintaining atomic absorption (AA) instruments, improving performance, and extending instrument lifespan. Based on survey data from 700 laboratories, key challenges include instrument downtime, sample preparation issues, and space constraints. Agilent addresses these through design features like compact instruments and high-performance consumables, including long-life UltrAA hollow cathode lamps with up to 30 % more sensitivity and lifetimes exceeding 8,000 mA hours.</p><p>The document offers troubleshooting tips for lamps, nebulizers, burners, and spray chambers. It emphasizes prevention—regular rinsing to avoid blockages, polishing burners, replacing pitted impact beads, and aligning burners correctly. For optimal results, it also covers flame chemistry adjustments, such as fine-tuning acetylene flow for nitrous oxide/acetylene flames. Multi-element lamps are shown to deliver performance comparable to single-element lamps when used under recommended conditions.</p><p>Accurate calibration standards are essential for reliable quantification. The guide explains the differences between Reference Materials (RMs) and Certified Reference Materials (CRMs), advising on preparation, matrix matching, contamination prevention, and storage. Agilent’s standards are manufactured in ISO-accredited facilities, traceable to NIST, and supplied with comprehensive Certificates of Analysis.</p><p>Finally, the guide outlines recommended daily, weekly, and periodic maintenance schedules, along with a list of key consumables to keep on hand. Agilent offers operating supply kits to support a year of routine operation, helping labs maintain consistent performance, minimize downtime, and ensure data quality in flame, graphite furnace, and vapor generation AA systems.</p><h3><strong>2. Anton Paar: Solutions for Your Supreme Spirits</strong></h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/XDLIP_058_EN_D_Brochure_Spirits_analysis_overview_screen_d55d8c66c1.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Anton Paar offers a comprehensive range of solutions for precise, efficient, and regulation-compliant analysis of distilled spirits, liqueurs, and related products. Leveraging over 40 years of application expertise, their portfolio includes handheld devices, benchtop density meters, and modular multiparameter systems. These instruments deliver high accuracy—alcohol measurements with repeatability down to 0.01 % v/v—while reducing measurement times by up to tenfold compared with traditional distillation.</p><p>Key technologies like the Pulsed Excitation Method, <strong>FillingCheck™</strong> for bubble detection, and <strong>U-View™ </strong>for visual sample verification ensure reliable results and streamlined workflows. Instruments are designed for durability, supported by a three-year warranty and a global service network. Applications span the entire production process—from raw material control and fermentation monitoring to distillation, blending, and final product bottling—covering parameters such as alcohol, extract, density, pH, color, turbidity, and sugar content.</p><p>Systems can be tailored for specific tasks, including wort and juice analysis, liqueur quality control, and safeguarding visual properties like color and clarity. Automation options, such as high-throughput sample changers and integration with AP Connect lab execution software, enable fully digital workflows and higher productivity. These solutions ensure consistent quality, tax compliance, and competitive advantage in the beverage industry.</p><h3><strong>3. Metrohm: Rapid phenotypic identification of microorganisms with Raman</strong></h3><p><strong>A simple and nondestructive method for bacterial analysis</strong></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_rs_047_download_b050d98d38.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Raman spectroscopy is used in microbiology for its potential to identify bacteria and monitor metabolites. All living organisms on Earth are composed of carbon, hydrogen, oxygen, nitrogen, phosphorus, sulfur, and other trace elements. These elements bond together to form DNA, lipids, amino acids, and other biomolecules. The composition of these biomolecules varies between organisms. Some bacteria store metabolites (e.g., polyphosphate and glycogen) depending on environmental conditions. The Raman spectra of bacteria reflect these chemical differences, enabling their identification and elucidating their roles in bioprocesses.</p><h4><strong>EXPERIMENT</strong></h4><p>Lysogeny broth (LB) agar culture media was prepared by dissolving LB powder and agar powder in deionized water following manufacturer specifications (Sigma-Aldrich). After autoclaving, the mixture was poured into sterilized glass petri dishes and cooled. Once the LB agar solidified, fingers were pressed onto the surface to transfer bacteria to the media.&nbsp;</p><p>The petri dish was then incubated at room temperature until bacterial colonies were observed. The petri dish was placed on a BAC150B probe holder and BAC151C Video microscope, and Raman spectra were collected from colonies and the culture media (Figure 1).&nbsp;</p><ul><li><strong>Instrument setup:</strong><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=220&amp;search=+i-Raman+Prime+785"><strong> i-Raman Prime 785</strong></a>,<a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=220&amp;search=+i-Raman+EX"><strong> i-Raman EX</strong></a></li></ul><h4><strong>CONCLUSION&nbsp;</strong></h4><p>Raman spectroscopy can be used to acquire spectra of bacterial colonies directly from solid culture media. Raman spectra collected with 785 nm excitation provides higher resolution, while excitation at 1064 nm reduces fluorescence from culture media. Simple bacterial colonies can be differentiated using PCA models, but advanced machine-learning algorithms can be used to characterize more complex microbial communities. Users can easily export the spectral files from i-Raman instruments for further analysis using BWSpec software or other more advanced machine learning tools.</p><h3><strong>4. Shimadzu: TOC and TIC Analysis in Hydroxide Solutions Using High-Temperature Catalytic Combustion&nbsp;</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_05_sca_130_305_en_925eeb11bd.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>User Benefits</strong></h4><ul><li>TOC and TIC of hydroxide solutions such as NaOH and KOH can be determined using a TOC-L analyzer</li><li>The internal acidification function minimizes the volume of acid required and reduces the time spent on sample preparation.</li><li>The High salt combustion tube kit prolongs the service life of the combustion catalyst</li></ul><p>Hydroxide solutions, especially sodium hydroxide (NaOH) and potassium hydroxide (KOH), are commonly used in chemical, industrial, and environmental processes. These solutions neutralize acids to form water and salts, a process that is essential in various reactions. As strong bases, NaOH and KOH play a significant role in the production of a variety of goods, including soap, through the saponification process (Figure 1), in which they react with oils and fats. However, organic contaminants in these chemicals can lead to impurities, necessitating quality control of the reactants to ensure product integrity.</p><p>Furthermore, hydroxides are potent CO₂ absorbers. They form carbonate and bicarbonate ions when they bind CO₂. Their solutions are used for various purposes, including sequestering fossil fuel emissions, which can be quantified by measuring total inorganic carbon (TIC).&nbsp;</p><p>KOH is an essential electrolyte in the alkaline electrolysis of green hydrogen. Total organic carbon (TOC) limits must be maintained to ensure the smooth operation of this sensitive technology. Analytical quality control of hydroxide solutions is therefore necessary to ensure product quality and uphold process efficiency of alkaline electrolyzers.</p><h4><strong>Measurement conditions TOC analysis</strong></h4><ul><li><strong>Analyzer: </strong><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=1&amp;search=TOC-L+"><strong>TOC-L CxH</strong></a> (CxN possible for NPOC analysis only)&nbsp;</li><li><strong>Catalyst:</strong> Saline&nbsp;</li><li><strong>Meas. Parameter: </strong>NPOC (Direct method TOC=NPOC)&nbsp;</li><li><strong>Calibration curve:</strong> 5-point NPOC calibration using automatic dilution function in the range of 0,1 - 10 mg/l, 10 mgC/l KHP standard solution&nbsp;</li><li><strong>Acidification: </strong>H<sub>2</sub>SO<sub>4</sub> 4mol/l, acid addition 12 %&nbsp;</li><li><strong>Sparge settings: </strong>5 min. (internal). 80 ml/min</li><li><strong>Injection settings</strong>: 150 µl, 3 / max. 5 injections Multiple injections ON&nbsp;</li><li><strong>Other settings:</strong> Correction of dilution ON</li></ul><h4><strong>TIC analysis results&nbsp;</strong></h4><p>The results of the analysis of the KOH and NaOH solutions using the TIC method are shown in Table 5. The calibration stock solution with a TIC concentration of 10 mg/l was used as the control standard as well. Since the TIC concentrations of the KOH and NaOH samples were higher than the calibration span, the instrument automatically re-sampled and re-measured the samples with an increased internal dilution factor using the "correction of dilution" function. These results demonstrate the method's good recovery and robustness.&nbsp;</p><p>The limit of quantification (LOQ) of the method was determined to as ten times the standard deviation of a sixfold injected pure water blank sample.&nbsp;</p><p><strong>TIC LOQ: 10 x 0,006 mg/l = 0,06 mg/l.</strong></p><h4><strong>TOC-L system configuration&nbsp;</strong></h4><p>For the analysis, a TOC-L CPH was retrofitted with a combustion tube for high-salt samples, operating at 680°C. As a precautionary measure, an SO₃ mist catcher was also installed (see Fig. 4). Combusting at temperatures below the melting points of common salts (particularly sulfates) mitigates blockages caused by molten salt. Instead, the salt precipitates as a powder on the catalyst. The High Salt Kit also includes a catalyst tube with an increased diameter, a mixture of catalyst beads of various sizes, and ceramic mesh to replace the standard platinum nets. This increases the catalyst replacement interval at high salt loads.&nbsp;</p><p>The combustion of excess sulfuric acid produces sulfur dioxide (SO₂), which then catalytically produces sulfur trioxide (SO₃) in an oxygen atmosphere. This can lead to interference in the CO₂ detection flow line, potentially resulting in false high TOC readings and peak tailing. Furthermore, the combustion products of large amounts of H₂SO₄ are corrosive and can damage the NDIR detector over time. The optional SO₃ mist catcher removes these unwanted combustion products from the sample gas. It is installed after the dehumidifier and before the halogen scrubber in the TOC-L flow path.</p>

News from LabRulezICPMS Library - Week 33, 2025

<p><strong>In the week of August 18, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.</strong></p><blockquote><p class="cke-user_style-important"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></p><p class="cke-user_style-important"><strong>👉 Search and filter in the largest global database</strong> with over <strong>4 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Shimadzu Corporation: Faster, Smarter Analysis For FAMEs And Pesticides</strong></h5><ul><li>We, 20.8.2025 09:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5351">Registration</a></li></ul><p>Explore how Shimadzu’s AOC-6000 Plus and Peakintelligence AI streamline GCMS and LCMS food workflows—boosting speed, throughput, and efficiency in FAME and pesticide analysis.</p><h5><strong>2. Thermo Fisher Scientific: Chromeleon CDS connections – Exploring options for interfaces</strong></h5><ul><li>We, 20.8.2025 20:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5383">Registration</a></li></ul><p>Learn how to integrate Chromeleon CDS with other software to streamline workflows, boost data integrity, and enhance lab efficiency. Live Q&amp;A with Thermo Fisher experts.</p><h5><strong>3. GERSTEL: Decoding Odors - Detection and Identification</strong></h5><ul><li>Th, 21.8.2025 10:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5405">Registration</a></li></ul><p>Discover the GERSTEL ODP 4 and ODI software for scent detection and identification using Sensory Directed Analysis, with real-world applications and expert tips.</p><h5><strong>4. Thermo Fisher Scientific: How to process MS data in Chromeleon CDS software</strong></h5><ul><li>Th, 21.8.2025 11:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5362">Registration</a></li></ul><p>Join us for an insightful webinar on MS Data Processing using Thermo Scientific Chromeleon 7.3.2 software.</p><h5><strong>5. Agilent Technologies: Comprehensive Guide to GC Column Bleed: From Troubleshooting to Prevention</strong></h5><ul><li>Th, 21.8.2025 20:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5040">Registration</a></li></ul><p>Join us as we distinguish between abnormal and normal bleed as well share some tips and tricks to control your bleed.</p>

Webinars LabRulezGCMS Week 34/2025

<p><strong>In the week of August 18, the following webinars await you in the field of liquid phase and especially HPLC and LC/MS.</strong></p><blockquote><p class="cke-user_style-important"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></p><p class="cke-user_style-important"><strong>👉 Search and filter in the largest global database</strong> with over <strong>4 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Evosep Biosystems: Translational Proteomics</strong></h5><ul><li>Mo, 18.8.2025 16:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5382">Registration</a></li></ul><p>Explore how LC-MS workflows are advancing immunology research, clinical proteomics, and biomarker discovery.</p><h5><strong>2. Thermo Fisher Scientific: Technology of the new mass spectrometers</strong></h5><ul><li>Tu, 19.8.2025 14:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5399">Registration</a></li></ul><p>Discover the Orbitrap Astral Zoom and Orbitrap Excedion Pro — next-gen mass spectrometers with up to 10× sensitivity, speed, and resolving power for advanced research applications.</p><h5><strong>3. Technology Networks: Modernization of Liquid Chromatography Methods</strong></h5><ul><li>Tu, 19.8.2025 17:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5315">Registration</a></li></ul><p>This webinar features two expert speakers who will share insights into the latest LC methods and technologies.</p><h5><strong>4. 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Webinars LabRulezLCMS Week 34/2025

<p><strong>In the week from August 18, the following webinars await you in the field of atomic and molecular spectroscopy and spectrometry</strong></p><blockquote><p class="cke-user_style-important"><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></p><p class="cke-user_style-important"><strong>👉 Search and filter in the largest global database</strong> with over <strong>4 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Agilent Technologies: Analysis of Major and Trace Constituents in Li-ion Battery Electrolyte Solutions using ICP-OES</strong></h5><ul><li>Tu, 19.8.2025 21:30 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/2766">Registration</a></li></ul><p>Join us for insights into Li-ion battery design, material purity testing, and electrolyte analysis using ICP-OES, including standard prep and practical tips to boost analytical performance.</p><h5><strong>2. Agilent Technologies: Overview of Metal Speciation by LC/IC-ICPMS</strong></h5><ul><li>Th, 21.8.2025 20:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4905">Registration</a></li></ul><p>This presentation will cover the basic operation of metal speciation by the coupling of chromatography technique with ICPMS.</p>

Webinars LabRulezICPMS Week 34/2025

<p><strong>Fired cartridge cases are common evidence at shooting crime scenes. While fingerprints are often damaged and insufficient for identification, human scent traces may remain intact even after a gun is fired.</strong></p><p>In this pilot study, a simulated crime scene was created in which a volunteer loaded a weapon before firing. The scent remaining on fired cartridge cases was analyzed and compared to reference samples from several volunteers using olfactronics and olfactorics. Results suggest that scent analysis can support investigations by linking cartridge cases to the individual who handled the ammunition.</p><blockquote><h4><strong>The original article</strong></h4><h4><a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.4c06231"><strong>Analysis of the Human Scent on Fired Cartridge Cases from a Simulated Crime Scene</strong></a></h4><p>Ulrika Malá*, Václav Vokálek, Pavel Vrbka, Jana Čechová, Petra Pojmanová, Oleksii Kaminskyi, Veronika Škeříková, Štěpán Urban</p><p>Anal. Chem. 2025, 97, 7, 3799–3803</p><p><a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1021/acs.analchem.4c06231">https://doi.org/10.1021/acs.analchem.4c06231</a></p><h6>licensed under <a target="_blank" rel="noopener noreferrer" href="https://creativecommons.org/licenses/by/4.0/"><strong>CC-BY 4.0</strong></a></h6></blockquote><p><strong>Selected sections from the article follow. Formats and hyperlinks were adapted from the original.</strong></p><p>Forensic olfactronics is a new field of forensic analysis whose aim is to analyze scent samples using advanced analytical chemistry techniques. <a href="javascript:void(0);">(1−3)</a> Unlike olfactorics (the odorology method using specially trained canines), forensic olfactronics is an objective method. On the other hand, the olfactory system of a canine is still more sensitive than the best contemporary instruments of analytical chemistry usable for human scent analysis. This is why both methods should be used for these purposes in the future during criminal investigations, so they can complement each other and be a desirable chain of evidence to present before the court. Cartridge cases are often one of the traces that can appear on the crime scenes usually connected with a shooting, mainly in the cases of very serious crimes. Unfortunately, the fingerprints tend to be partially spoiled; thus, they cannot be compared with the dactyloscopy database. In a previous study, <a href="javascript:void(0);">(4)</a> it was found that the less volatile substances that seem to be more significant for the individual identification of human scent <a href="javascript:void(0);">(5)</a> resist high temperatures for a short time (up to 500 °C for 1 min). That led to a presumption that at least a part of the human scent remaining on the cartridge after loading the gun and even after the gun’s firing would be sufficient for an individual identification. <a href="javascript:void(0);">(4)</a></p><h4><strong>Experimental Section</strong></h4><h5><strong>Instrumentation</strong></h5><p>For this experiment, only one gun type was used (a Sauer 38H, Sauer Sohn Germany, caliber 7.65 Browning, ammunition, type FMJ 73 grs, produced by Sellier Bellot, Czech Republic).</p><p>The samples were measured by a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7980B"><strong>7980B GC two-dimensional gas chromatograph</strong></a> (Agilent, USA) coupled with a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=24&amp;search=Pegasus+BT+4D"><strong>Pegasus BT 4D time-of-flight analyzer mass spectrometer</strong></a> (LECO, USA). The columns were connected in reverse order. The primary column was a semipolar <strong>Rtx-200MS</strong> (30 m + 2 m precolumn, Restek, USA), and the secondary column was a nonpolar <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1745"><strong>TG5-HT</strong></a> (1.1 m, Thermo Fisher Scientific, USA). The diameter of the columns was 0.25 mm, and the thickness of the stationary phase was 0.25 μm. Helium (purity 5.5, Linde CZ) was used as a carrier gas for gas chromatography. The sample was injected in a volume of 1 μL in splitless mode (2 min) at a temperature of 280 °C. The temperature gradient on the primary column started at 40 °C, held for 2 min, and ended at 320 °C, held for 10 min. The temperature increased at a rate of 5 °C/min. The temperature on the secondary column was always 5 °C higher than that on the primary column. The modulator between the two columns always had a temperature 15 °C higher than the secondary column. The cryogenic modulation at −80 °C with three modulation periods of 6, 8, and 10 s were used. The carrier gas flow rate was 1.5 mL/min. The interface between GC and MS was heated to 280 °C. The mass detector used electron ionization with an energy of 70 eV ionizing electrons, and the temperature of the ion source was 250 °C. Data collection took place in TIC (total ion current) mode, with a mass interval of 29–800 (<i>m</i>/<i>z</i>); data collection took place at a speed of 200 spectra/s. The time required to elute the solvent was set to 500 s. To increase the detection sensitivity, a 200 V higher voltage was set on the detector compared to tuning. The ratio of the signal and the noise was set at S/N 300.</p><h4><strong>Results and Discussion</strong></h4><p>By comparing the chromatograms of the scent samples collected on the original and the prewashed cartridges, significant differences supporting the necessity of the cleaning procedure before the collection itself were not found. The chromatogram area where the lubricant peaks were found was more concentrated on the original cartridges, but the differences were not significant. From a practical point of view, that is efficient for our experiments, as it gets closer to reality at the crime scene. Other experiments were carried out on nonprewashed ammunition based on these results.<named-content></named-content><named-content></named-content></p><p>Our olfactronic analysis showed successful individual separation/variance between different volunteers on the glass beads (see <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.4c06231#fig3">Figure 3</a>). However, the system could not link the human scent extracted from the gun-fired cartridge cases to the volunteers. This could have been caused by the different kinds of background material that was provided by glass beads (see <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.4c06231#fig1">Figure 1</a>) and cartridge cases (see <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.4c06231#fig2">Figure 2</a>), despite the fact that data editing was done in an attempt to eliminate these differences. Another option could be that even if the significant substances for the identification withstand high temperatures, the explosion heat could slightly change them. Therefore, one of the solutions could be to equalize the conditions before the extraction by heating the glass beads to the same temperature to which the bullets are exposed when fired. Nevertheless, the surface differences from which the unknown trace was collected at the crime scene do not seem to play a significant role. This is important for further investigation, as the cartridge cases remaining at the crime scene could lay on many kinds of surfaces, and the analyses of the evidence must not depend on them. The inconsistency of the result from the previous experiment <a href="javascript:void(0);">(4)</a> where the cartridge cases were successfully linked to the volunteer who had loaded the gun before the shooting could be based on the fact that another mass spectrometer (Pegasus BT-4D) with new commercial software (ChromaTOF, version 5.51.06.0) was used for this experiment. The software having issues with processing the chromatograms (mainly peak areas) may have contributed to the inconsistency.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Anal_Chem_2025_97_7_3799_3803_Figure_1_Chromatogram_of_a_volunteer_s_sample_from_our_small_database_captured_on_the_glass_beads_f34c95896c.jpg" alt="Anal. Chem. 2025, 97, 7, 3799–3803: Figure 1. Chromatogram of a volunteer’s sample from our small database captured on the glass beads. The x axis represents the retention time of the first column [s], and the y axis represents the retention time of the second column [s]. The areas corresponding to individual groups of substances are indicated in the image." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Anal_Chem_2025_97_7_3799_3803_Figure_1_Chromatogram_of_a_volunteer_s_sample_from_our_small_database_captured_on_the_glass_beads_f34c95896c.jpg 215w," sizes="100vw" width="2100" height="1524"></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Anal_Chem_2025_97_7_3799_3803_Figure_2_Chromatogram_of_an_unknown_sample_from_the_cartridge_case_736c975356.jpg" alt="Anal. Chem. 2025, 97, 7, 3799–3803: Figure 2. Chromatogram of an unknown sample from the cartridge case. The x axis represents the retention time of the first column [s]; the y axis represents the retention time of the second column [s]. The areas corresponding to individual groups of substances are indicated in the image." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Anal_Chem_2025_97_7_3799_3803_Figure_2_Chromatogram_of_an_unknown_sample_from_the_cartridge_case_736c975356.jpg 207w," sizes="100vw" width="2100" height="1577"></p><h4><strong>Conclusions</strong></h4><p>Two methods for comparing four scent traces from a simulated crime scene with 22 different volunteer scent samples were used. The aim was to find a certain volunteer who loaded the gun using eight analogous cartridges. Four samples of cartridge cases were then subjected to olfactronic analysis. These were collected from a heterogeneous crime scene. These four analogous samples were also compared by trained police canines. The olfactory method was successful and correctly identified the shooter. Both methods indicated that the surface (plastic sheet, wooden palette, and concrete floor) from which the scent traces were collected does not play a significant role in the identification. The results from the forensic olfactronic method showed the ability to distinguish each volunteer sampled on the glass beads; however, it has not yet been possible to link the fired cartridge cases to any of the volunteers. In the future, this problem can be eliminated by solving the problems with processing the peaks with commercial software that comes with the two-dimensional gas chromatograph. On the other hand, the issue could also be solved by equalizing the parameters on both surfaces (cartridge cases and glass beads) by heating the glass beads after the scent is collected on them. This heating would partly simulate the process of firing the gun.</p><p>Additionally, olfactronic identification could also be complemented by a dactyloscopy comparison as well. Since both can be crucial for the investigation and together can form a desirable chain of evidence. The only question is in which order should the methods be used for the optimal analysis of both.</p><p>The future prospects for the study include expanding the research to involve more volunteers and diversifying the types of weapons and ammunition tested. Additionally, further optimization of the sample preparation process is necessary, particularly to determine whether heating the glass beads to simulate gunfire can effectively link unknown samples to the shooter. Finally, addressing the issue of data alignment will be a critical step moving forward.</p>

Analysis of the Human Scent on Fired Cartridge Cases from a Simulated Crime Scene

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Analysis of the Human Scent on Fired Cartridge Cases from a Simulated Crime Scene

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