<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 29th 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 application notes by <strong>Agilent Technologies </strong>and<strong> EST Analytical, </strong>poster by<strong> Shimadzu </strong>and smart note by <strong>Thermo Fisher Scientific!</strong></p><h3><strong>1. Agilent Technologies: Equimolar Response to ASTM D5623 Relevant Sulfur Compounds</strong></h3><p><strong>Using an </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8890+GC"><strong>Agilent 8890 gas chromatograph</strong></a><strong> and </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8355%C2%A0SCD"><strong>8355 sulfur chemiluminescence detector (GC/SCD)</strong></a></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_equimolar_response_astm_d5623_sulfur_compounds_5994_8562en_agilent_62a37181e4.pdf"><strong>Full PDF for download</strong></a></li></ul><p>For many years, the use of a sulfur-specific detector in the petroleum industry has been invaluable for accurately identifying low levels of sulfur-containing compounds in petroleum at various stages of production.<sup>1</sup> Many environmental and health requirements limit the amount of sulfur allowed in the final petroleum product. The presence of sulfur also has the potential to poison the catalytic processes that take place during petroleum refining.&nbsp;</p><p>Along with the determination of low sulfur levels in a petroleum sample, a detector may also need to measure high sulfur levels and total sulfur content. A detector with a high linear range is essential in making both low-level and high‑level determinations of sulfur in a petroleum sample.&nbsp;</p><p>In this application note, an Agilent 8355 SCD was used to measure 19 sulfur-containing compounds within a standard sample. The 8355 SCD is ideal for the widely used ASTM&nbsp;D5623 method<sup>2</sup> because of its ability to obtain linear and equimolar responses to sulfur compounds with minimal hydrocarbon interference. When comparing the equimolar response of analytes containing different numbers of sulfur atoms, the response should be double for the analytes containing two sulfur atoms compared to those with one&nbsp;sulfur atom.&nbsp;</p><p>Another advantage of the 8355 SCD is the ability to use it in tandem with an FID. This combination allows monitoring solvent elution through the GC system, assisting in the detection of the coelution of solvents with analyte peaks. These coelutions can cause peak distortion, which might be mistaken for activity issues within the GC system.</p><h4><strong>Methods&nbsp;</strong></h4><h5><strong>Instrumentation&nbsp;</strong></h5><p>Two <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8890+GC"><strong>Agilent 8890 GC systems</strong></a> were equipped with an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8355%C2%A0SCD"><strong>8355&nbsp;SCD</strong></a>. Both GC/SCD systems were run in the same manner to confirm equimolar results. A third GC system was also configured with a tandem flame ionization detector sulfur chemiluminescence detector (FID/SCD) to allow the determination of the solvent peak elution from the system. This third system also served as another confirmation of the equimolar results that were obtained from the other two GC/SCD systems. Sample introduction for all systems was completed with an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=7693A+automatic+liquid+sampler"><strong>7693A automatic liquid sampler</strong></a> with a 5 µL syringe. The sample volume for each injection was 1.0 µL. All analyses were performed with a split/splitless inlet in split mode.&nbsp;</p><p>The GC/SCD parameters are provided in Table 1. Note that an Agilent DB-Sulfur SCD GC column (part number G3903-63002) was used in this study because of the low column bleed and excellent inertness and performance for sulfur compound analysis. When using the SCD, be aware that stationary phase bleed from the GC column can lead to fouling of the ceramic tubes within the detector. This phenomenon can cause poor SCD performance, such as decreased sensitivity, and may require more frequent maintenance. Proper GC column selection (such as the DB-Sulfur column) is important to ensure lower column bleed into the detector and will reduce fouling of ceramic tubes, reducing instrument downtime.</p><h4><strong>Results and discussion</strong></h4><h5><strong>Use of GC/FID for solvent elution determination&nbsp;</strong></h5><p>Determination of the solvent peak elution can be a challenge when using a sulfur-selective detector such as the SCD. Many times, the large, fronting solvent peak may coelute with analytes of interest, causing distortion of the analyte peak shape (peak tailing, fronting, or broadening) and poor chromatographic separation. This poor peak shape, caused by column overloading, can be mistaken for activity issues in the system or hydrocarbon interferences, leading to unnecessary troubleshooting or inlet/column maintenance. Determination of the solvent peak elution time is recommended to ensure that coelution does not occur with any of the analytes of interest. To confirm the solvent elution time, a tandem GC/FID/SCD system was used. The GC/FID/SCD system puts the FID in-line before the SCD analysis, allowing the user to obtain both FID and SCD signals from a single injection, thus confirming the solvent retention time and determining any solvent/analyte coelutions.&nbsp;</p><h4><strong>Conclusion&nbsp;</strong></h4><p>The Agilent 8355 sulfur chemiluminescence detector, paired with an Agilent 8890 GC, was evaluated by analyzing 19&nbsp;sulfur‑containing compounds relevant to ASTM D5623. The SCD met the specifications of the test method, including an equimolar response to the analyzed sulfur compounds and a wide range of linearity to a sulfur-containing standard. The 8355 SCD shows excellent area reproducibility, and when used in tandem with a flame ionization detector, the system can aid in the determination of solvent peak elution through the GC system.</p><h3><strong>2. EST Analytical: Reducing Carryover in Environmental Water Samples</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_Reducing_Carryover_in_Environmental_Water_Samples_6e5ba0a008.pdf"><strong>Full PDF for download</strong></a></li></ul><p>In order to mitigate carryover, many environmental labs resort to running sample dilutions or adding blank samples after a highly contaminated sample. Both of these solutions are not ideal and can lead to a loss of analyte detection when diluting or a loss of profits when blank samples need to be run.</p><p>Since, the primary source of carryover for water samples is the sparge vessel, purge and trap manufactures have incorporated a rinsing step in which the sparge vessel is “washed” with hot water in order to clean up the volatile compounds that may still reside in the sparge vessel. Expanding on the idea of limiting volatile compounds in the sparge vessel, EST Analytical developed a patented process of heating the sparge vessel during the bake step of the purge and trap process (Patent Number: US 8,075,842 B1) . This engineering innovation essentially performs two bakes; as a result both the trap and the sparge vessel are “cleaned” at the same time. No other concentrator is or can be engineered to do this.</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> and the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2159"><strong>Centurion WS autosampler</strong></a>. The concentrator was affixed with a Vocarb 3000 trap and connected to an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=7890A"><strong>Agilent 7890A 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 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</strong></a> MS 30m x 0.25mm x 1.4µm column. Refer to Table 1 for the sampling method parameters and Table 2 for GC/MS parameters.</p><h4><strong>Conclusions</strong></h4><p>The Evolution purge and trap concentrator with its patented technique of heating the sparge vessel during the bake process proved to reduce carryover by almost half when comparing with hot water rinses alone. The advantages of reduced carryover are many. Primary among them is the ability to run more samples during the twelve hour tune window. This increase in productivity translates to more laboratory profits and better use of instrument time.</p><h3><strong>3. Shimadzu / AOAC: Analysis of PFAS in juice using Head-Space Solid Phase Microextraction-Gas Chromatography/Mass Spectrometry (HS-SPME GCMS)</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/aoac_2025_t010_9967ebebff.pdf"><strong>Full PDF for download</strong></a></li></ul><p>PFAS contaminate water and food through packaging that can leach volatile PFAS from plastics and inks or coatings. This work developed a headspace SPME GCMS method to analyze six volatile PFAS classes in juices. The United States Food and Drug Administration has tested for PFAS in a broad range of foods and beverages as part of its Total Diet Study. Juice matrices differ in flavor, sugar, as well as manufacturing practices, and packaging, with the latter two potentially introducing PFAS contamination. The former differences between products can impact PFAS detection.</p><h4><strong>Materials and Methods</strong></h4><p>The SPME method used in this study is based on a method published by Bach et.al. (2016). An HS-SPME method is used to improve method performance when analyzing complex aqueous samples over direct immersion. The optimized parameters of the instrument method for the targeted PFAS are listed in table 1.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=GCMS-TQ8040+NX"><strong>Shimadzu GCMS-TQ8040 NX triple quadrupole instrument</strong></a>, configured with an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=AOC-6000+Plus+SPME"><strong>AOC-6000 Plus SPME</strong></a> unit, was used to measure PFAS in different juice samples. Without isotope dilution, matrix effects caused recoveries to fall outside of acceptable criteria. Method blanks showed no detectable PFAS, and calibration demonstrated excellent linearity (R² ≥ 0.993). This HS-SPME GCMS-TQ8040 NX method demonstrated quantitative capability for analyzing nanogram-per-liter PFAS compounds in complex juice matrices. This application highlights a simple, fast, robust, precise, and accurate workflow for measuring volatile PFAS in challenging matrices.</p><h3><strong>4. Thermo Fisher Scientific: Safe use of carrier hydrogen for air monitoring with Multi-Gas TD-GC-MS</strong></h3><ul><li>Other document (smart note)</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/sn_003958_gc_single_quad_gc_ms_isq_7610_environmental_sn003958_na_en_8216fc7021.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Monitoring volatile organic air compounds, also known as hazardous air pollutants (HAPs), is crucial for maintaining air quality in urban and industrial environments due to their significant health risks. The growing concerns about these potentially dangerous volatile organic compounds in ambient air, particularly in urban areas and from industrial emissions, have led to the development of numerous national and international regulations. The use of Thermal Desorption (TD) coupled with GC-MS is the analytical technique of choice to enrich volatile organic compounds from air and quantify them at trace levels.1 In gas chromatography, the choice of carrier gas is pivotal for the separation and detection of VOCs. Helium has traditionally been the preferred carrier gas for analyzing volatile organic air toxics due to its inertness and performance benefits. However, hydrogen is becoming increasingly popular due to economic and supply considerations. Each carrier gas has unique advantages and challenges, and the choice should be guided by specific analytical requirements, cost constraints, and safety protocols. As the demand for sustainable and cost-effective solutions grows, hydrogen is expected to play a more significant role in monitoring hazardous air pollutants in urban and industrial settings.</p><p>Thermal Desorption is an established way to analyze VOCs in a wide variety of sample types. This smart note highlights the use of the new Multi-Gas TD system (Markes International) that allows a safe use of carrier hydrogen for the analysis of VOCs in air, enhancing operational flexibility and supporting more sustainable laboratory practices.&nbsp;</p><h4><strong>Experimental&nbsp;</strong></h4><p>In this study, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=7&amp;search=TD100-xr"><strong>Markes TD100-xr™ Multi-Gas system</strong></a>, coupled with the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/486"><strong>Thermo Scientific™ TRACE™ 1610 gas chromatograph</strong></a> and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/484"><strong>Thermo Scientific™ ISQ™ 7610 single quadrupole mass spectrometer,</strong></a> was employed to accurately detect and quantify compounds for effective air monitoring. This combination leverages several technological advancements to optimize analytical performance and operational efficiency.</p><p>The comparison between helium and hydrogen carrier gas was carried out using the same analytical column. The method conditions for all analytes could be easily transferred. Flow rates were adjusted using the split ratio calculator available in the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/76"><strong>Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS)</strong></a> Instrument Method Wizard (Figure 1) to maintain the same split level and therefore the same amount of transferred sample. A further factor facilitating rapid adoption of hydrogen carrier gas in laboratories is that existing columns and consumables can be used without restrictions.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>The use of the Markes TD100-xr Multi-Gas system combined with the ISQ 7610 GC-MS for the analysis of VOC in air allows for a safe use of carrier hydrogen, making it a viable alternative to helium and offering an effective solution for laboratories facing the challenges of helium scarcity and rising costs, while maintaining the accuracy and reliability of VOC detection and quantification.&nbsp;</p><ul><li>The comparative analysis clearly confirmed that using hydrogen carrier gas in gas chromatography offers substantial benefits over helium. The significant reduction in retention time, as shown by the 60% decrease for 1,2,3-trichlorobenzene, leads to faster analysis without compromising the separation efficiency.&nbsp;</li><li>Enabling shorter analysis time, hydrogen enhances laboratory productivity, reduces costs, and contributes to more sustainable practices.&nbsp;</li><li>The results also indicate that both helium and hydrogen can be used effectively as carrier gases without impacting the response linearity for the VOC compounds under evaluation. Laboratories can confidently use hydrogen as an alternative to helium for quantitative analysis, ensuring accurate and reliable analytical results.</li><li>When using multiple carrier gases, the ISQ 7610 NeverVent technology is key to easily switching from helium to hydrogen and back to helium with no venting required, making this operation very quick and safe.&nbsp;</li></ul><p>In conclusion, coupling the Markes TD100-xr Multi-Gas system with the ISQ 7610 single quadrupole GC-MS offers a robust and flexible solution for air monitoring. This integration enhances operational efficiency, reduces costs, and maintains high data integrity, making it an invaluable tool for modern analytical laboratories.</p>

News from LabRulezGCMS Library - Week 40, 2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 29th 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 note by <strong>Agilent Technologies </strong>and posters by<strong> Shimadzu / AOAC, Thermo Fisher Scientific </strong>and <strong>Waters Corporation / AOAC!</strong></p><h3><strong>1. Agilent Technologies: Comparison of Dual Sorbent Solid Phase Extraction for PFAS Applications</strong></h3><p><strong>Using dual-phase Agilent </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=Bond+Elut+PFAS+WAX"><strong>Bond Elut PFAS WAX/ Carbon S SPE</strong></a><strong> cartridges for US EPA Method 1633</strong></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_1633_wax_carbon_s_spe_comparison_5994_8291en_agilent_8bdc559ad8.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Many laboratories have opted to combine polymeric weak anion exchange (WAX) and graphitized carbon black (GCB) into single solid phase extraction (SPE) cartridges to streamline sample preparation and facilitate automation for the determination of Per- and Polyfluoroalkyl Substances (PFAS) in environmental samples. This modification is acceptable under Section 1.5 of US EPA Method 1633, if the method's quality control metrics are met.1 The Agilent PFAS WAX and Carbon&nbsp;S sorbents are specifically manufactured for PFAS applications and are lot-tested to ensure low PFAS residue and maximum recovery.2,3 Packing these sorbents into standard 6 mL SPE cartridges with low PFAS residue frits makes them ideally suited for automated methods requiring both WAX extraction and carbon matrix reduction. The extraction performance of the dual-phase Agilent Bond Elut PFAS WAX/Carbon&nbsp;S SPE cartridges are comparable to other commercial cartridges. This ensures seamless integration into existing workflows while assuring optimal performance for PFAS applications.</p><h4><strong>Experimental&nbsp;</strong></h4><p>Extraction recoveries using the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=Bond+Elut+PFAS+WAX"><strong>Bond Elut layered 200 mg PFAS WAX (top)/50 mg Carbon S (bottom) SPE cartridges</strong></a> (part number 5610-2237) were compared to two other commercial 200 mg WAX/50 mg GCB dual-phase cartridges (Table 1). Four replicate extractions were performed with each sorbent, except for benchmark B, where only two replicates were extracted. The target compounds included the 40 listed in Method 1633, spiked at a low-level concentration of 4 ng/L in 250 mL of reagent water. Target recoveries were quantified using 24 isotope-labeled extracted internal standards (EIS). Extractions were carried out using automated SPE. Method details were described in a previous application note.4</p><h4><strong>Conclusion&nbsp;</strong></h4><p>Dual-phase Agilent Bond Elut PFAS WAX/Carbon S SPE cartridges are specifically manufactured for PFAS applications, with rigorous lot testing to ensure PFAS cleanliness and recovery. They enable efficient streamlined sample preparation and automation for EPA Method 1633. PFAS target and extracted internal standards recoveries are comparable to other dual-phase SPE cartridges, facilitating easy integration into existing EPA Method 1633 workflows.</p><h3><strong>2. Shimadzu / AOAC: Analysis of Per- and Polyfluoroalkyl Substances (PFAS) in Drinking Water and Milk using LC-MS/MS coupled with Online-SPE Interface</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/aoac_2025_t009_835132523a.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Per- and Polyfluoroalkyl Substances (PFAS) are a chemical group of organic fluorinated compounds, and perfluorooctane sulfonate (PFOS) and perfluorooctanoic acid (PFOA) are representative compounds. They have been used in applications such as water repellents, surface treatment agents, fire extinguishers, and coatings. PFAS are known to be widely present in the environment and wildlife due to their stable structure. Concerns about human exposure through diet have led various countries to conduct investigations into food contamination by PFAS.</p><p>We have examined a quantitative analysis method for 43 PFAS in tap water, drinking water, and milk, and developed a pretreatment and analysis method that realized labor and time savings using LC-MS/MS and automatic pretreatment equipment (Fig.1). For extraction from milk, the QuEChERS method was used with reference to the FDA method.</p><h4><strong>Experimental</strong></h4><ul><li><strong>Automatic pretreatment equipment: </strong>SPL-W100 (AiSTI SCIENCE)</li><li><strong>LC-MS/MS:</strong> <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=1&amp;search=LCMS-8060RX"><strong>LCMS-8060RX</strong></a> (Shimadzu)</li></ul><h4><strong>Conclusion</strong></h4><ul><li>LC-MS/MS methods were developed to analyze 43 PFAS in 11 minutes using automatic pretreatment, saving time and labor.</li><li>We conducted recovery tests by adding samples to tap water, drinking water, and milk, and achieved the LOQ set by EPA regulations and AOAC criteria for all compounds.</li><li>The quantitative values of the four main components in tap water were PFOA 0.00109 <span>μ</span>g/kg, PFNA 0.00044 <span>μ</span>g/kg, PFHxS 0.0004 <span>μ</span>g/kg and PFOS 0.00063 <span>μ</span>g/kg. PFAS was not detected above the detection limit in drinking water and milk.</li></ul><h3><strong>3. Thermo Fisher Scientific: High-Throughput and Highly Selective Quantitative Lipidomics with the Stellar Mass Spectrometer – A Novel Hybrid Nominal Mass Instrument</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_unil_stellar_lipidomics_metsoci_2025_po_en_730b1c19fd.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The increasing prevalence of metabolic disorders underscores the need for robust, high-throughput clinical lipid panels and lipidomics methods to quantify lipid species comprehensively, with high precision and selectivity . Structurally related lipids, with varying fatty acid composition, were associated with distinct metabolic consequences and proven to have different biological roles. Thereby, measuring individual lipid species with highest selectivity possible is crucial for corroboration of clinical utility including the improved risk prediction and diagnostics. We present an advanced methodology leveraging the unique capabilities of the new Stellar mass spectrometer. This nominal mass instrument addresses current limitations in specificity and throughput by enabling fast acquisition parallel reaction monitoring, and revolutionizing lipidomics workflows by delivering unprecedented specificity and quantitation. This system combines a quadrupole and a dual cell linear ion trap that significantly improves the ion accumulation efficiency and scan speed. This allows for the acquisition of full MS2 spectra including multiple transitions, thus improving the annotation specificity by resolving isomeric lipids and structurally similar species. This unique capacity of Stellar MS positions it as a practical solution for translational research, biomarker discovery and clinical lipidomics where rapid, sensitive and selective lipid quantitation is essential.</p><h4><strong>Materials and Methods&nbsp;</strong></h4><h5><strong>Sample Preparation&nbsp;</strong></h5><p>Dried UltimateSPLASH ONE internal standard mixture (100 µL) was reconstituted in 25 µL of NIST human plasma SRM 1950 followed by the addition of 125 µL of isopropanol for lipid extraction. The supernatant was then transferred to LC vials for LC-MS analysis. Linearity assessment: different volumes of Avanti Research UltimateSPLASH ONE internal standard mixture (0.5, 1, 5, 10, 50, 100, and 500 µL) were evaporated to dryness, followed by the reconstitution with 25 µL NIST Plasma and 125 µL of isopropanol for lipid extraction.&nbsp;</p><h5><strong>Data Acquisition&nbsp;</strong></h5><p>Plasma lipid extracts were separated on a ACQUITY Premier BEH Amide column (1.7um, 100 mm x 2.1 mm I.D., Waters) and analyzed using a targeted LCMS lipidomics approach on <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/742"><strong>Thermo Scientific Vanquish Duo UHPLC system</strong></a> coupled to a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1149"><strong>Stellar mass spectrometer</strong></a> (Figure 1) 1 . This method was built from a well-established selected reaction monitoring (SRM) method that we Converted to a parallel reaction monitoring (PRM) method by using only the unique precursors. As there are many isomeric lipids sharing the same mass, converting the method for the Stellar reduced 1,019 (579 positive mode; 440 negative mode) SRM precursors to 524 (233 positive mode; 291 negative mode) PRM precursors.</p><h4><strong>Conclusions&nbsp;</strong></h4><ul><li>By integrating LipidCreator with Stellar MS, we expanded on an already thorough lipid workflow by increasing the number of targeted lipids (&gt;50%) and transitions (&gt;3/molecule) enabling higher confidence in lipid identification&nbsp;</li><li>Multiple transitions per precursor, combined with fast scan speeds, enhanced both the specificity and accuracy of lipid quantification, particularly for isomeric species.&nbsp;</li><li>Employing both HCD and CID simultaneously allowed for more robust characterization of sphingomyelins seen in the 2-3 transitions per species.&nbsp;</li><li>This high throughput, targeted approach addresses key limitations and provides a efficient platform for biomarker discovery&nbsp;</li><li>Also, look for our other poster showing a high-throughput targeted MS3 approach has been optimized on the Stellar MS, for the semi-quantification of TG species in human plasma.</li></ul><h3><strong>4. Waters Corporation / AOAC: From Coop to Carton: A Study of PFAS in Backyard &amp; Store-Bought Eggs Using Automation and LC-MS/MS</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720009037_6848187630.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Consumers often view backyard chicken eggs as a healthier alternative to store-bought eggs. However, environmental factors such as contaminated soil, water, feed, and bedding may expose backyard chickens to per- and polyfluoroalkyl substances (PFAS). This study set out to compare PFAS levels in eggs from backyard flocks with those in cage-free eggs purchased from grocery stores. The challenge was to analyze whole egg—a dense protein- and fat-rich matrix—efficiently and reproducibly. To address this, an automated sample preparation workflow was developed, reducing analyst involvement, minimizing variability, and ensuring robust results.</p><h4><strong>Methods</strong></h4><p>The workflow combined automated extraction (CEM EDGE) with automated solid-phase extraction (PromoChrom SPE-03) using dual-phase <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/215"><strong>Oasis GCB/WAX cartridges</strong></a> designed for PFAS. Key steps included:</p><ul><li>Homogenizing whole eggs and spiking with internal standards.</li><li>Automated alkaline extraction cycles followed by nitrogen-assisted concentration.</li><li>SPE cleanup with GCB/WAX cartridges to remove matrix interferences.</li><li>Analysis by LC-MS/MS using a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/191"><strong>Waters ACQUITY Premier system</strong></a> coupled to a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/554"><strong>Xevo TQ Absolute mass spectrometer</strong></a>.</li></ul><p>This approach enabled preparation in less than 15 minutes per sample, while the SPE system processed up to eight samples simultaneously in under 70 minutes. Altogether, the workflow provided consistent recoveries across a broad range of PFAS, including EU-regulated compounds such as PFOA, PFOS, PFNA, and PFHxS.</p><h4><strong>Conclusions</strong></h4><p>Automated sample preparation and SPE enabled reproducible, high-throughput analysis of PFAS in whole eggs—a challenging matrix. Results showed that backyard eggs generally contained higher PFAS concentrations and a wider variety of compounds than store-bought eggs, reflecting greater environmental exposure. In contrast, grocery store eggs contained certain PFAS precursors, suggesting possible legacy contamination. The method proved robust for both regulated and emerging PFAS, with recoveries in the acceptable 70–130% range. This workflow offers laboratories a reliable, future-proof solution for PFAS monitoring in foods, helping to ensure consumer safety and regulatory compliance.</p>

News from LabRulezLCMS Library - Week 40, 2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezICPMS Library in the week of 29th 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>Agilent Technologies</strong> and posters by &nbsp;<strong>Shimadzu / AOAC</strong> and <strong>Thermo Fisher Scientific!</strong></p><h3><strong>1. Agilent Technologies: Accurate Identification of Binder Raw Materials for Li-Ion Battery Electrodes by FTIR</strong></h3><p><strong>Rapid quality control of incoming materials using the </strong><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=10&amp;search=Cary+630+FTIR"><strong>Agilent Cary 630 FTIR&nbsp;</strong></a></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_battery_electrode_binder_cary_630_ftir_5994_8465en_agilent_4edc49f78f.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Lithium-ion battery (LIB) production relies on a wide variety of specialized materials sourced from numerous suppliers. In high-throughput LIB manufacturing facilities, even minor inconsistencies in raw materials can lead to significant downstream effects on cell performance. Binders are a good example: although used in small quantities to adhere active materials to metal current collectors, they are critical to electrode functionality. Binders directly influence electrode mechanical strength, uniformity, and long-term cell performance. As a result, production engineers and quality control (QC) managers consider binder verification as a key part of quality assurance (QA) workflows.&nbsp;</p><p>Traditional binders such as polyvinylidene fluoride (PVDF) are effective but introduce environmental and solvent-handling concerns. Alternatives such as polytetrafluoroethylene (PTFE), styrene-butadiene rubber (SBR), and carboxymethyl cellulose (CMC) are increasingly being adopted within the industry to align with evolving sustainability standards. However, these changes also introduce new risks for LIB manufacturers — particularly when material specifications vary or supply sources change. To maintain production consistency and reduce the risk of batch failure or rework, fast and accurate material identification and verification tools are needed. FTIR spectroscopy offers a simple yet powerful solution for the QA/QC of various LIB raw materials. Given the organic and polymeric nature of binders, FTIR spectroscopy offers a rapid and reliable means of identifying them, as discussed in the "Characterization of PVDF polymorphic phases" section of this application note.&nbsp;</p><p>This study outlines how the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=10&amp;search=Cary+630+FTIR"><strong>Agilent Cary 630 FTIR spectrometer</strong></a> (Figure 1) with its compact footprint can be used at the point of material receipt to verify binder identity. User-friendly Agilent MicroLab software ensures successful operation following minimal operator training. Analyses carried out using the Cary 630 FTIR support fast decision‑making, help avoid production disruptions, and improve end-product reliability.</p><h4><strong>Results and discussion&nbsp;</strong></h4><p>The binder samples were analyzed by placing a small quantity of solid material directly onto the ATR crystal of the Cary 630 FTIR spectrometer. Gentle pressure was applied to ensure good contact. After the measurement was completed, the ATR crystal was cleaned with a light solvent and wipe in preparation for the next sample.&nbsp;</p><p>The MicroLab software uses a built-in Similarity algorithm that automatically calculates a Hit Quality Index (HQI). The HQI value indicates how closely the acquired sample spectrum matches a reference spectrum from the user‑generated library. HQI values are commonly used as pass/fail criteria in material identification and confirmation&nbsp;workflows.&nbsp;</p><p>Using the Similarity algorithm, all four unknown samples (samples 1 to 4) were correctly identified according to the binder type stated on the respective container labels. However, variations in HQI values were observed among the PVDF samples (1 to 3). As shown in Table 2, PVDF-210 and PVDF-5130 exhibited HQI values of 0.96271 and 0.96713, respectively, indicating strong spectral matches. PVDF-6020 showed a slightly lower HQI of 0.90741, which may reflect differences in polymer grade or formulation compared to the reference sample. PTFE-104 (Sample 4) was also correctly identified, with a high HQI of 0.98345, suggesting good spectral agreement and a high-confidence match.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>An Agilent Cary 630 FTIR spectrometer with Agilent MicroLab software provided a simple solution for identifying electrode binder materials—a typical application in lithium-ion battery quality control (QC) workflows.&nbsp;</p><p>The MicroLab software enabled the rapid creation of a spectral reference library for binder materials based on the analysis of two known "reference" samples. Four "unknown" binders from a different supplier were then correctly identified using the FTIR method. However, one sample yielded a low, red color-coded confidence score, suggesting possible differences in polymer grade or formulation between the reference and unknown samples.&nbsp;</p><p><strong>The Cary 630 FTIR enables production and QC teams to:&nbsp;</strong></p><ul><li>Adapt quickly to new materials or suppliers through easy management of the spectral library&nbsp;</li><li>Verify the identity of incoming raw materials using intuitive pictorial guidance and color-coded pass/fail results&nbsp;</li><li>Detect any mislabeling or contamination of materials&nbsp;</li><li>Monitor batch-to-batch variability that could affect electrode performance and battery manufacturing yields&nbsp;</li></ul><p>With its compact, modular design, the Cary 630 FTIR can be deployed in production environments, including gloveboxes. Its ease-of-use makes it a valuable tool for ensuring material consistency, minimizing process disruptions, and maintaining high standards in lithium-ion battery manufacturing.</p><h3><strong>2. Shimadzu / AOAC: Speciation Analysis of Mercury in Seafood by LC-ICP-MS</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/aoac_2025_m028_b60b5ecaa6.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Mercury contamination in seafood poses significant health risks to consumers. Mercury screening using ICPMS alone can provide a total concentration, however some species of mercury are more toxic to humans than others, and a total concentration may not provide adequate information and result in incomplete risk assessments. Generally, methyl mercury is more toxic than inorganic mercury and other organic mercury. Evaluating the toxicity in food requires not only analysis as total mercury but also by the form of mercury. To address this, we propose the use of Liquid Chromatography coupled with Inductively Coupled Plasma Mass Spectrometry (LCICP-MS) for detailed speciation analysis of mercury by connecting an <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=1&amp;search=ICPMS-2040%2F2050"><strong>ICPMS-2040/2050 </strong></a>with <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=1&amp;search=Nexera+XS+inert"><strong>Nexera XS inert.</strong></a> Furthermore, we also evaluated the automatic dilution function of the Nexera series autosampler for the speciation analysis of mercury.</p><h4><strong>Results&nbsp;</strong></h4><p>Samples were analyzed with the LC-ICP-MS system, which consisted of the ICPMS-2040/2050 connected to a Nexera XS inert (Fig. 1). LabSolutions ICPMS TRM software can control the ICPMS2040/2050 system and Shimadzu LC units, enabling everything from sample injection to chromatogram analysis to be performed via a single software program. The analytical conditions used for analysis were those included in the LC-ICP-MS Method Package for Mercury Speciation Analysis. Table 1 shows the analytical conditions for HPLC, and Table 2 shows the analytical conditions for ICP-MS.</p><h4><strong>Conclusion</strong></h4><p>Speciation analysis of methyl mercury and total mercury in seafood was performed using an LC-ICP-MS system that connected an ICPMS-2040/2050 to a Nexera XS inert according to the conditions in the “LC-ICP-MS Method Package for Mercury Speciation Analysis.” Analysis of methyl mercury and total mercury in seafood showed good spike recoveries demonstrating system suitability.</p><h3><strong>3. Thermo Fisher Scientific: High Sensitivity, Fast Scanning, Sector Field ICP-MS – Improving Sensitivity for Laser Ablation with the Jet Interface</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_65415_icp_ms_high_sensitivity_fast_scanning_ewcps2019_po65415_en_22e55fbf12.pdf"><strong>Full PDF for download</strong></a></li></ul><p>In laser ablation ICP-MS analysis, the choice of which type of ICP-MS to use may not be entirely obvious. High precision isotope ratio analysis, such as epsilon level precision for geochronology, would need to be measured with a multicollector ICP-MS, such as the Thermo Scientific™ NEPTUNE XT™, but for the majority of applications the precision obtainable with a single collector ICP-MS is sufficient. In the area of single collector ICP-MS we are still left with the choice between a quadrupole-based ICP-MS, such as the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1206"><strong>Thermo Scientific™ iCAP™ RQ/TQ</strong></a>, and a magnet sector based ICP-MS, the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1670"><strong>Thermo Scientific™ Element XR™</strong></a>.&nbsp;</p><p>The reduced cost, size and complexity of the quadrupolebased ICP-MS make them a popular choice for LA-ICP-MS analysis. However, it has always been known that a magnet sector based ICP-MS enjoys a significant increase in sensitivity: detecting more ions for the same amount of atoms introduced. In laser ablation analysis the amount of sample to be analyzed is often strictly limited. Furthermore, to reduce laser-induced fractionation and to stay within discrete sample zones it is highly desirable to ablate as little sample material as possible. The trend towards higher resolution LA-ICP-MS bioimaging has also led to a reduction in the amount of sample ablated. These limitations in sample size make the sensitivity of the ICP-MS vital in order to achieve useable limits of quantification and detection (LOQ and LOD).</p><p>The Jet Interface option for the Thermo Scientific Element XR HR-ICP-MS greatly increases the sensitivity of fast scanning, sector field ICP-MS, especially for dry plasma. It consists of a high capacity dry interface pump and a companion set of specially designed cones. Here we report the sensitivity (as sample ion yield) of the Element XR when equipped with the Jet Interface option. We then compare this sensitivity to two other ICP-MS for the LA-ICP-MS U-Pb analysis of two common zircon reference materials.&nbsp;</p><h4><strong>MATERIALS AND METHODS&nbsp;</strong></h4><h5><strong>ICP-MS&nbsp;</strong></h5><p>Three ICP-MS systems were used:&nbsp;</p><ul><li><strong>NEPTUNE XT</strong> (multi collector ICP-MS, with Jet Interface)&nbsp;</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1670"><strong>ELEMENT XR</strong></a> (single collector Sector Field ICP-MS), equipped with Jet Interface option&nbsp;</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1206"><strong>iCAP TQ</strong></a> (single collector quadrupole based ICP-MS), equipped with high sensitivity cones and insert recommended for laser ablation analysis</li></ul><h4><strong>CONCLUSIONS&nbsp;</strong></h4><p>The Jet Interface for the Element XR SF-ICP-MS gives:&nbsp;</p><ul><li>Sample Ion Yield &gt;1% for Nd, Hf, Pb and U.&nbsp;</li><li>Over 20 times LA sensitivity compared to Q-ICP-MS</li></ul>

News from LabRulezICPMS Library - Week 40, 2025

<p><strong>Scientists from the University of Pardubice (UPCE) are part of a research consortium that has proposed best practices for the statistical processing and visualization of lipid analysis data. The publication, co-authored by analytical chemists from the team of Prof. Michal Holčapek at the Faculty of Chemical Technology, UPCE, highlights the most effective methods and tools in the programming languages R and Python for statistical data analysis and visualization. This article was published this week in the prestigious journal </strong><a target="_blank" rel="noopener noreferrer" href="https://www.nature.com/articles/s41467-025-63751-1.epdf?sharing_token=d4BwtQ-cAQDoolqvF-6sqdRgN0jAjWel9jnR3ZoTv0OCEr0hjE30S42RZ9Ec1dYJcqvfGdGaZCQhcrfF99X6je-n0SbLMQm5hl5EWu8YMr27kHqcYx8HhbhXVNVJnC1OwSo7QrDqTDTqlZQXJbaXH4CVNPLxU9Be0MTUl6bx0qg%3D"><i><strong>Nature Communications</strong></i></a><i><strong>.</strong></i></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/UPCE_Vedci_z_Univerzity_Pardubice_maji_dalsi_publikaci_v_prestiznim_casopise_Nature_Communications_2669200654.jpg" alt="UPCE: Scientists from the University of Pardubice have another publication in the prestigious journal Nature Communications" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_UPCE_Vedci_z_Univerzity_Pardubice_maji_dalsi_publikaci_v_prestiznim_casopise_Nature_Communications_2669200654.jpg 234w," sizes="100vw" width="1349" height="900"></p><p>A multidisciplinary team of experts in lipidomics, metabolomics, programming, and statistics prepared a comprehensive review summarizing methods and tools in <strong>R and Python</strong>. Lipidomics and metabolomics based on mass spectrometry are among the fastest-growing <i><strong>“omics”</strong></i> technologies today. Their application provides critical biological insights and generates extensive datasets. However, this requires appropriate statistical analysis and visualization. A shortage of specialists able to efficiently process such data remains a major barrier to fully leveraging these methods.</p><p><i><strong>“Originally, I just wanted my PhD student, Jakub Idkowiak, to summarize the R scripts he used for data visualization so that other members of my group could benefit. Step by step, thanks to Jakub’s initiative, the scope expanded considerably, ultimately resulting in this comprehensive article co-authored by 20 researchers from 19 institutions across five countries,” </strong></i>said <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/articles?search=hol%C4%8Dapek"><strong>Prof. Michal Holčapek</strong></a> from the Faculty of Chemical Technology, University of Pardubice.</p><p>Drawing on numerous discussions at conferences and experience from peer review, the authors identified the need for a coherent and accessible overview of available tools. Their proposal provides scientists at all levels of expertise with verified, robust, and user-friendly solutions that had previously been scattered across different platforms.&nbsp;</p><p>An important outcome of the project is a<strong> GitBook library </strong>containing an extensive database of codes for data visualization and statistical processing, along with usage instructions. The resource, titled <a target="_blank" rel="noopener noreferrer" href="https://laboratory-of-lipid-metabolism-a.gitbook.io/omics-data-visualization-in-r-and-python/?utm_source=chatgpt.com"><strong>Omics Data Visualization in R and Python</strong></a><strong>.</strong>, responds to strong demand from the scientific community. At i<strong>nternational lipidomics and metabolomics conferences, workshops and lectures on using R for statistical analysis and visualization are among the most attended sessions</strong>, generating strong interest and active interaction on social media.</p><p>For Prof. Holčapek’s research team, which has studied lipid analysis for more than 20 years, this is already <strong>the fifth publication in </strong><i><strong>Nature Communications</strong> </i>within the past five years. The group of analytical chemists from UPCE first gained international attention with a commentary addressing issues in lipidomics data reporting. Their <a target="_blank" rel="noopener noreferrer" href="https://www.nature.com/articles/s41467-021-27765-9"><strong>second publication</strong></a> described the discovery of a method for <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/article/4857"><strong>detecting pancreatic cancer from a simple blood sample using lipid analysis</strong></a>. This breakthrough, published in 2022, is ranked among the top one percent most cited papers in biology and biochemistry according to the Web of Science database. The university has obtained a European patent for the method, and the spin-off company Lipidica is currently conducting clinical trials.</p>

Scientists from the University of Pardubice featured again in Nature Communications

<p><strong>In the week of October 6, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.</strong></p><blockquote><h4><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></h4><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>5 000 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. LECO: Sloppy Disposal – A Combination of Targeted and Non-Targeted GCxGC-HRT Investigations of DDT Manufacturing Waste Products</strong></h5><ul><li>Tu, 7.10.2025 16:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5510">Registration</a></li></ul><p>Explore targeted and untargeted GC×GC-HRT sediment core analysis of DDT waste from deep-sea dumps near Los Angeles, revealing persistent pollutants and their environmental impact.</p><h5><strong>2. Agilent Technologies: Seminar 1 – OpenLab CDS - The Control Panel and Data Acquisition</strong></h5><ul><li>Tu, 7.10.2025 18:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/555">Registration</a></li></ul><p>The Control Panel is the gatekeeper to the system. Explore software features supporting user authentication, system configuration, acquisition methods, and reporting.</p><h5><strong>3. Agilent Technologies: Hydrogen Value Chain: Fueling Green Mobility</strong></h5><ul><li>We, 8.10.2025 07:30 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5540">Registration</a></li></ul><p>Learn how Agilent GC solutions ensure hydrogen purity by detecting trace impurities and supporting certification for fuel-cell and industrial applications.</p><h5><strong>4. New Food magazine: From Calibration to Confidence: Building Trust in Process NIR</strong></h5><ul><li>We, 8.10.2025 15:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5395">Registration</a></li></ul><p>Build trust in Process NIR by aligning lab and production teams. Learn how to validate results, overcome doubt, and integrate NIR for real-time quality control in food production.</p><h5><strong>5. Thermo Fisher Scientific: Reduce manual integrations: Optimize data processing with detection parameters and algorithms</strong></h5><ul><li>We, 8.10.2025 20:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5385">Registration</a></li></ul><p>Master detection in Chromeleon CDS—learn to configure parameters, choose the right algorithms, and boost data accuracy. Live Q&amp;A with Thermo Fisher experts.</p><h5><strong>6. Technology Networks: Advancing Therapeutic Protein Production With Real-Time Analysis</strong></h5><ul><li>Th, 9.10.2025 16:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5511">Registration</a></li></ul><p>Discover how precise, non-destructive, real-time insights into protein production empower teams to make faster, data-driven decisions.</p><h5><strong>7. Agilent Technologies: Common Pitfalls in GC Chromatography: What to Avoid</strong></h5><ul><li>Th, 9.10.2025 20:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5042">Registration</a></li></ul><p>Learn about common GC pitfalls that can cause analytical issues and discover strategies to avoid them for more robust chromatography.</p><h5><strong>8. Shimadzu Corporation: GC-SCD for Petroleum Products: Comparison of Commercially Available Sulfur Chemiluminescence Detectors by ASTM D5623</strong></h5><ul><li>Th, 9.10.2025 20:30 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5512">Registration</a></li></ul><p>Compare three GC-SCD systems for sulfur analysis in petroleum per ASTM D5623. Learn about sensitivity, robustness, and ways to cut maintenance costs in sulfur speciation.</p>

Webinars LabRulezGCMS Week 41/2025

<p><strong>In the week of October 6, the following webinars await you in the field of liquid phase and especially HPLC and LC/MS.</strong></p><blockquote><h4><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></h4><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>5 000 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Agilent Technologies: Every Sample Counts: How SLIMS Transforms Testing Workflows</strong></h5><ul><li>Tu, 7.10.2025 07:30 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5537">Registration</a></li></ul><p>Discover how Agilent SLIMS streamlines food and environmental lab workflows, supports ISO 17025 compliance, and enhances efficiency from intake to reporting.</p><h5><strong>2. Agilent Technologies: Ask the Expert: Master Your GPC Workflow</strong></h5><ul><li>Tu, 7.10.2025 08:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5509">Registration</a></li></ul><p>Join Agilent’s “Ask the Expert” on GPC/SEC. Get live answers to your challenges in method development, data analysis, and troubleshooting from experienced specialists.</p><h5><strong>3. C&amp;EN: Advanced HILIC Workflows for GLP-1 Agonist Impurity Profiling - Session 2</strong></h5><ul><li>Tu, 7.10.2025 09:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5350">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><h5><strong>4. Thermo Fisher Scientific: What can IC-MS bring to metabolomics?</strong></h5><ul><li>Tu, 7.10.2025 14:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5503">Registration</a></li></ul><p>Join Prof. James McCullagh to explore how IC-MS enhances metabolomics by improving the analysis of polar and ionic metabolites, enabling accurate and reproducible pathway studies.</p><h5><strong>5. SCIEX: SCIEX summit Day one: Shaping the future of analytical science</strong></h5><ul><li>Tu, 7.10.2025 16:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5546">Registration</a></li></ul><p>Day one explores next-gen technologies in metabolomics, proteomics, CRO automation, and electrophoresis, with global experts shaping the future of analytical science.</p><h5><strong>6. Waters Corporation: Automation Strategies for Bioanalytical Method Development with Oasis HLB</strong></h5><ul><li>Tu, 7.10.2025 17:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5555">Registration</a></li></ul><p>Discover how to optimize Oasis HLB SPE workflows and automate method development with Andrew+ Robot to boost recovery, reduce variability, and accelerate timelines.</p><h5><strong>7. Waters Corporation: Exploring Antibody Stability Through Light Scattering and Calorimetry Techniques</strong></h5><ul><li>Tu, 7.10.2025 17:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5432">Registration</a></li></ul><p>Explore advanced tools for high-concentration antibody formulations with experts from TA Instruments and Wyatt Technology. Learn how DLS, SLS, and RS-DSC assess stability.</p><h5><strong>8. Agilent Technologies: Seminar 1 – OpenLab CDS - The Control Panel and Data Acquisition</strong></h5><ul><li>Tu, 7.10.2025 18:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/555">Registration</a></li></ul><p>The Control Panel is the gatekeeper to the system. Explore software features supporting user authentication, system configuration, acquisition methods, and reporting.</p><h5><strong>9. Agilent Technologies: Benefits of Customizing LC systems for Bioanalysis and PFAS Analysis</strong></h5><ul><li>Tu, 7.10.2025 20:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5037">Registration</a></li></ul><p>Discover how to modify LC systems to increase biocompatibility for bioanalysis and PFAS detection.</p><h5><strong>10. SCIEX: SCIEX summit Day two: Advanced strategies in analytical science</strong></h5><ul><li>We, 8.10.2025 16:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5547">Registration</a></li></ul><p>Day Two explores advanced MS strategies for proteomics, glycoproteins, bioreactor monitoring, and single-cell metabolomics, featuring experts from pharma and academia.</p><h5><strong>11. Agilent Technologies: An Open-Access LC-MS Platform with Agilent OpenLab CDS SDK</strong></h5><ul><li>We, 8.10.2025 16:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5538">Registration</a></li></ul><p>AbbVie presents the development of an Open-Access LC-MS platform for medicinal chemistry projects, enabled by Agilent OpenLab CDS SDK integration.</p><h5><strong>12. Separation Science: From Matrix to Mass Spec: Mastering IP-RP Mobile Phases in Oligo Analysis</strong></h5><ul><li>We, 8.10.2025 17:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5467">Registration</a></li></ul><p>Gain a deeper understanding of oligonucleotide analysis, together with optimized LC-MS techniques for effective development, characterization, and quantification.</p><h5><strong>13. Thermo Fisher Scientific: Reduce manual integrations: Optimize data processing with detection parameters and algorithms</strong></h5><ul><li>We, 8.10.2025 20:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5385">Registration</a></li></ul><p>Master detection in Chromeleon CDS—learn to configure parameters, choose the right algorithms, and boost data accuracy. Live Q&amp;A with Thermo Fisher experts.</p><h5><strong>14. Bruker: Prostate Cancer Proteomics driven by Spatial Lipidomics Characterization</strong></h5><ul><li>Th, 9.10.2025 08:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5566">Registration</a></li></ul><p>Explore how spatial lipidomics with MALDI MS-Imaging uncovers prostate cancer heterogeneity and links lipid changes to proteomics insights, advancing cancer research workflows.</p><h5><strong>15. Waters Corporation: Becoming a SEC-MALS &amp; ASTRA Expert: Part 9</strong></h5><ul><li>Th, 9.10.2025 11:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5329">Registration</a></li></ul><p>Take your peak analysis to the next level with advanced distribution tools and fitting strategies in ASTRA software.</p><h5><strong>16. 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<p><strong>This study provides the first description of the essential oil distilled from Aiouea dubia, a native Andean species. Chemical analyses by GC–MS and GC-FID identified major terpenes including germacrene D, γ-muurolene, limonene, δ-cadinene, cyclosativene, and (E)-β-caryophyllene.</strong></p><p>Enantioselective GC revealed 11 chiral terpenes, with (−)-α-pinene and (−)-3-carene occurring in enantiopure form and others as scalemic mixtures. Given its high limonene and β-caryophyllene content, the oil shows potential antibacterial and anti-inflammatory properties, highlighting its promise in cosmeceutical applications.</p><blockquote><h4><strong>The original article</strong></h4><h4><a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c05278"><strong>The Chemical and Enantioselective Analysis of a New Essential Oil Produced by the Native Andean Species Aiouea dubia (Kunth) Mez from Ecuador</strong></a></h4><p>Katherin Fiallos, Yessenia E. Maldonado, Nixon Cumbicus, and Gianluca Gilardoni*</p><p>ACS Omega 2025, 10, 38, 44077–44086</p><p><a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1021/acsomega.5c05278">https://doi.org/10.1021/acsomega.5c05278</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>Since ancient times, plants have been used as drugs and as a source of fragrances, for both cosmetic and ritual purposes. With the introduction of the scientific method, these properties have been attributed to the presence of secondary or specialized metabolites, whose purification and structure elucidation greatly contributed to the progress of medicinal chemistry and cosmetology. Nowadays, most of the European botanical species have been phytochemically investigated, and their metabolic profiles are quite well-known. Therefore, in search for new natural products, chemists are currently focusing on the flora of so-called “megadiverse countries”, whose biodiversity includes a great fraction of all biological species around the world. <a href="javascript:void(0);">(1)</a> Among the megadiverse countries, Ecuador is included. In this territory, historical and logistical reasons avoided that most of the native and endemic botanical species could be so far studied for their metabolic content. <a href="javascript:void(0);">(2,3)</a> For these reasons, our group has been investigating the Ecuadorian biodiversity for more than 20 years, in search for new natural molecules, biologically active compounds, and unprecedented essential oils (EOs). <a href="javascript:void(0);">(4−9)</a> In this context, some of the authors recently described a volatile fraction from <i>Aiouea montana</i> (Sw.) R. Rohde, whose composition was dominated by a peculiar, sulphurated compound, responsible for the strong unpleasant smell of the leaves. <a href="javascript:void(0);">(10)</a> On the other hand, the leaves of the less common <i>Aiouea dubia</i> did not present a similar smell but a pleasant, quite sweet fragrance. From the botanical point of view, the genus <i>Aiouea</i> Aubl. is currently considered, by some botanists, the correct classification for all the Neotropical taxa, that were previously included into the genera <i>Phoebe</i> and <i>Cinnamomum</i>. <a href="javascript:void(0);">(11)</a> The taxon <i>Aiouea</i> is therefore native of America, and it includes 73 species with an accepted name, whereas the reported synonyms are more than 200. <a href="javascript:void(0);">(12)</a> For what concerns <i>A. dubia</i>, this species is a shrub, treelet or tree, native of the Andes, and diffused from Venezuela to Peru. <a href="javascript:void(0);">(12−14)</a> In Ecuador, this plant grows in the range between 2000 and 3000 m above the sea level, being described in the provinces of Loja and Zamora-Chinchipe. <a href="javascript:void(0);">(14)</a> Some synonyms are also reported for <i>A. dubia</i>, such as <i>Aiouea granatensis</i> Mez, <i>Aiouea jelskii</i> Mez, <i>Aiouea tambillensis</i> Mez, <i>Aiouea truxillensis</i> Kosterm, <i>Cryptocarya dubia</i> Kunth, <i>Endocarpa corymbosa</i> Raf., <i>Laurus hypericifolia</i> Willd. ex Nees, and <i>Persea hypericifolia</i> Nees. So far, to the best of the authors’ knowledge, only the EOs from <i>Aiouea costaricensis</i>, <i>Aiouea maguireana</i>, and <i>A. montana</i> have been investigated within this genus, whereas no literature has been found describing the chemical and the enantiomeric profiles of any volatile fraction from <i>A. dubia</i> or its synonyms. <a href="javascript:void(0);">(10,15,16)</a> With these premises, the species <i>A. dubia</i> (Kunth) Mez (Lauraceae) was selected to be analyzed for the chemical and enantiomeric compositions of its EO. Main purposes of the present study were contributing to the preservation of the Ecuadorian biodiversity through the phytochemical knowledge and identifying potential sources of new natural products, suitable to be the object of bioeconomic applications.</p><h3><strong>Methods</strong></h3><h4><strong>Qualitative (GC–MS) Chemical Analyses</strong></h4><p>The qualitative chemical composition of <i>A. dubia</i> EO was carried out through gas chromatography, using mass spectrometry as a detection technique (GC–MS). The GC instrument was a gas chromatograph model <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=3&amp;search=trace+1310"><strong>Trace 1310</strong></a>, purchased from Thermo Fisher Scientific (Waltham, MA, USA). The GC was coupled with a single quadrupole mass spectrometer (MS) model <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=3&amp;search=ISQ+7000"><strong>ISQ 7000</strong></a>, purchased from the same provider. The qualitative analyses were conducted with two capillary columns, based on stationary phases of different polarity: 5%-phenyl-methyl-polysiloxane (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1785"><strong>TR-5 ms, nonpolar</strong></a>) and polyethylene glycol (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1791"><strong>TR-Wax, polar</strong></a>), purchased form Thermo Fisher Scientific (Waltham, MA, USA). Both columns were characterized by the following dimensions: 30 m in length, internal diameter of 0.25 mm, and film thickness of 0.25 μm. The thermal program was 50 °C for 10 min, followed by an initial gradient of 2 °C/min up to 170 °C, then a second gradient of 10 °C/min up to 230 °C, which was finally maintained for 20 min. All the injections were conducted in split mode (40:1), with helium as a carrier gas, provided by Indura s.a. (Guayaquil, Ecuador), and maintained at the constant flow of 1 mL/min. Injector and transfer line were set at the temperature of 250 °C. The mass spectrometer detector was equipped with an electron ionization source, set at the ionization energy of 70 eV. The detector was operated in SCAN mode, detecting ions within the mass range of 40–400 amu. Both ion source and quadrupole temperatures were 250 °C. All the EO constituents were identified by comparison of each MS spectrum and linear retention index (LRI) with data from literature. The LRIs were calculated according to Van den Dool and Kratz, <a href="javascript:void(0);">(67)</a> based on a series of homologous <i>n</i>-alkanes in the range C<sub>9</sub>–C<sub>24</sub>. The alkanes were provided by Merck (Sigma-Aldrich, St. Louis, MO, USA).</p><h4><strong>Quantitative (GC-FID) Chemical Analyses</strong></h4><p>The quantitative chemical analyses were conducted with the same GC instrument and the same columns described for the qualitative ones, but with a flame ionization detector (FID), set at 280 °C, instead of the mass spectrometer. Carrier gas, constant flow, injection temperature and mode, and oven thermal program were the same as the qualitative analyses. All the detected compounds were quantified calculating the relative response factor (RRF) of each constituent according to the respective combustion enthalpy, as described by Chaintreau. <a href="javascript:void(0);">(68,69)</a> The integration areas, corrected by the RRFs, were applied to two six-point calibration curves (one for each column), that were traced using <i>n</i>-nonane as internal standard and isopropyl caproate as calibration standard. The internal standard was provided by Merck (Sigma-Aldrich, St. Louis, MO, USA), whereas the calibration standard was synthesized in the authors’ laboratory and purified to 98.8% (GC-FID purity). Both curves produced coefficients of determination <i>R</i><sup>2</sup> &gt; 0.998, with standard dilutions prepared as previously described in literature. <a href="javascript:void(0);">(70)</a></p><h3><strong>Results and Discussion</strong></h3><h4><strong>Chemical Analysis</strong></h4><p>The dry leaves of <i>A. dubia</i> afforded, after preparative steam-distillation, a clear pale-yellow oil, characterized by a sweet light fragrance. The distillation yield, by weight, was 0.3%. A total of 69 compounds were detected and quantified on at least one of two chromatographic columns. The columns were coated with different stationary phases, being 5%-phenyl-methyl-polysiloxane a nonpolar phase and polyethylene glycol a polar phase. The great difference in polarity among these two phases ensured that chromatographic properties were also different enough to obtain a good separation, for almost all compounds, on at least one column. Furthermore, different chromatographic properties produced different linear retention indices for a same compound, ensuring a more reliable identification through the coincide of both linear retention indices with data from literature. Finally, these specific stationary phases are the most used in EO analysis, ensuring that a lot of literature is available as a source of reference linear retention indices. The total mass of the quantified components corresponded to 85.1%–82.8% of the whole oil mass, expressed as the sum of all quantified compounds on the nonpolar and polar column, respectively. This volatile fraction was dominated by sesquiterpenes and sesquiterpenoids, corresponding together to 65.5%–61.4% of the total amount. Major components of the EO (≥3.0% on at least one column) were germacrene D (12.2%–11.7%, <strong>45</strong>), γ-muurolene (7.6%–7.2%, <strong>44</strong>), limonene (6.8%–6.2%, <strong>14</strong>), δ-cadinene (6.4%–5.9%, <strong>51</strong>), cyclosativene (6.0%–5.5%, <strong>32</strong>), and (<i>E</i>)-β-caryophyllene (4.4%–4.0%, <strong>36</strong>). The chemical structures of the main EO components are represented in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c05278#fig1">Figure 1</a>, whereas the gas chromatographic (GC) profiles, obtained on a nonpolar and a polar stationary phase, are respectively represented in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c05278#fig2">Figure 2</a> and <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c05278#fig3">Figure 3</a>. The complete qualitative and quantitative analyses are reported in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c05278#tbl1">Table 1</a>.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ACS_Omega_2025_10_38_44077_44086_Figure_1_Major_components_ab66263628.jpg" alt="ACS Omega 2025, 10, 38, 44077–44086: Figure 1. Major components (≥3.0% on at least one column) of A. dubia leaf EO. The numbers refer to Table 1: limonene (14), cyclosativene (32), (E)-β-caryophyllene (36), γ-muurolene (44), germacrene D (45), and δ-cadinene (51)." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ACS_Omega_2025_10_38_44077_44086_Figure_1_Major_components_ab66263628.jpg 245w," sizes="100vw" width="3222" height="670"></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ACS_Omega_2025_10_38_44077_44086_Figure_2_GC_MS_profile_of_A_dubia_EO_on_a_5_phenyl_methyl_polysiloxane_stationary_phase_b4f398739b.jpg" alt="ACS Omega 2025, 10, 38, 44077–44086: Figure 2. GC–MS profile of A. dubia EO on a 5%-phenyl-methyl-polysiloxane stationary phase. The peak numbers refer to major compounds (≥3.0% on at least one column) in Table 1." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ACS_Omega_2025_10_38_44077_44086_Figure_2_GC_MS_profile_of_A_dubia_EO_on_a_5_phenyl_methyl_polysiloxane_stationary_phase_b4f398739b.jpg 245w," sizes="100vw" width="4123" height="1894"></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ACS_Omega_2025_10_38_44077_44086_Figure_3_GC_MS_profile_of_A_dubia_EO_on_a_polyethylene_glycol_stationary_phase_f279bd70c9.jpg" alt="ACS Omega 2025, 10, 38, 44077–44086: Figure 3. GC–MS profile of A. dubia EO on a polyethylene glycol stationary phase. The peak numbers refer to major compounds (≥3.0% on at least one column) in Table 1." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ACS_Omega_2025_10_38_44077_44086_Figure_3_GC_MS_profile_of_A_dubia_EO_on_a_polyethylene_glycol_stationary_phase_f279bd70c9.jpg 245w," sizes="100vw" width="4142" height="1902"></p><h3><strong>Conclusions</strong></h3><p>The steam-distilled dry leaves of <i>A. dubia</i> produced an EO, with the non-negligible yield of 0.3% by weight. This volatile fraction was characterized by a pleasant, sweet smell, similar to the one of other sesquiterpene-based oils. Being dominated by germacrene D and due to the high enantiomeric excess of its levorotatory enantiomer, this EO could act as an attractant for the insects of the genus <i>Heliotis</i>. Despite <i>A. dubia</i> currently is an only wild species, its leaf EO could be considered commercially promising, due to its high distillation yield. Cosmeceutical science could be the main application field for this volatile fraction. In fact, the high content of limonene and (<i>E</i>)-β-caryophyllene suggested that <i>A. dubia</i> EO could present antibacterial and anti-inflammatory properties, like other oils of similar composition. Future research should experimentally investigate the biological activities of this EO, with a special focus on the two main properties deduced since literature. In fact, for cosmeceutical applications, antibacterial and anti-inflammatory capacities are possibly more interesting than other biological activities, whose actions imply a systemic mechanism instead of a topic effect.</p>

The Chemical and Enantioselective Analysis of a New Essential Oil Produced by the Native Andean Species Aiouea dubia (Kunth) Mez from Ecuador

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The Chemical and Enantioselective Analysis of a New Essential Oil Produced by the Native Andean Species Aiouea dubia (Kunth) Mez from Ecuador

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