HPLC gradients are a fantastic means of analyzing a sample for which the analytes exhibit a wide range of retentive strengths along the stationary-phase of your preferred column. Gradients are not always accommodating towards buffers when attempting to maintain a specific pH. If the buffer is limited to your aqueous mobile-phase while the organic mobile-phase remains strictly an organic solvent, then the gradient is prone to solubility limitations and inconsistent buffering strength as the ratio of organic solvent increases during the gradient. This may be overcome by applying an even distribution of the buffer towards both the “weak” and “strong” mobile-phases of your method, for which we will review some approaches and examples.How about spiking both the “weak” and “strong” mobile-phases with an acidic or basic additive, such as the formic acid (HCO2H) at 0.1% (v/v)?The spike in both mobile-phases will ideally maintain a consistent level of the additive in the overall mobile-phase as the ratio of “weak” and “strong” mobile-phases alters during the gradient. The shortcomings of such a spike are that the additive may be prone to volatilization from the mobile-phase mixture, while also inducing inconsistent strengths of protonation or deprotonation towards analytes. Perhaps some of us can admit to having been less than precise in our preparation of (v/v) spikes at one time or another. Alternatively, a proper buffer with the corresponding salt for a specific additive will precisely maintain the consistent pH at which it is prepared without the risk of the additive volatilizing.Ammonium formate (NH4HCO2) and ammonium acetate (NH4CH3CO2) buffers are the most amenable towards gradients, as these salts are soluble in methanol, while the corresponding aqueous buffers may be mixed with high ratios of acetonitrile. The necessary buffering strength typically ranges only 5 – 10 mM in each mobile-phase, but compare this with an isocratic method of 60:40 “20 mM buffer”/acetonitrile, for which the buffer concentration relative to the overall mobile-phase is only 12 mM. Figure 1 features an analysis of Mycotoxins on a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1514">Kinetex™ Biphenyl</a> with 5 mM ammonium acetate buffers comprising both the aqueous and methanol mobile-phases, and for which the ammonium acetate was dissolved directly in the methanol.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Phenomenex_The_effects_of_gradient_on_buffer_capacity_3_788ba526cf.jpg" alt="Phenomenex: The effects of gradient on buffer capacity: Figure 1 - Mycotoxin Analysis on Kinetex Biphenyl (App ID 21951)." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Phenomenex_The_effects_of_gradient_on_buffer_capacity_3_788ba526cf.jpg 245w," sizes="100vw" width="904" height="475">Acetonitrile will need to be mixed with an aqueous buffer of common buffering reagents to maintain the solubility of the buffering salt. Figure 2 features the HILIC-mode analysis of underivatized amino acids on a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1542">Biozen™ Glycan</a>, for which a stock buffer of 100 mM ammonium formate buffer (pH 3.1) was spiked into either water or acetonitrile in a 9:1 ratio of solvent/buffer. The resulting mobile phases each featured overall buffer concentrations of 10 mM ammonium formate, allowing the gradient to maintain a consistent overall buffering strength.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Phenomenex_The_effects_of_gradient_on_buffer_capacity_2_bb25c9ae6a.jpg" alt="Phenomenex: The effects of gradient on buffer capacity: Figure 2 - Underivatized Amino Acids on bioZen Glycan (Tech Note 1264)." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Phenomenex_The_effects_of_gradient_on_buffer_capacity_2_bb25c9ae6a.jpg 245w," sizes="100vw" width="987" height="486">Ammonium fluoride (NH4F) is often included in small amounts (0.1 – 0.2 mM) in the overall mobile-phase to generate highly sensitive fluoride adducts [M+F]- during ESI-negative mode LC/MS, or to encourage the generation of either [M+H]+ or [M+NH4]+ ions in ESI-positive mode. Figure 3 demonstrates the use of a third solvent line by which a 1 mM NH4F buffer is constantly delivered at a ratio of 10% of the overall mobile-phase, corresponding to 0.1 mM in the overall mobile-phase throughout the gradient. Ternary and quaternary pumps facilitate this method, but an initial isocratic hold is recommended at the beginning of the method to accommodate the transferability of the method among instruments. Ternary and quaternary gradients are subject to dwell volumes that are specific to each instrument, and can be a concern even when one of the solvent lines is maintained at a constant percentage of the overall gradient.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Phenomenex_The_effects_of_gradient_on_buffer_capacity_dd2c7475e7.jpg" alt="Phenomenex: The effects of gradient on buffer capacity: Figure 3 - Microcystins on Luna Omega Polar C18 (App ID 23568)." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Phenomenex_The_effects_of_gradient_on_buffer_capacity_dd2c7475e7.jpg 245w," sizes="100vw" width="1071" height="550">Be mindful of solubility considerations when attempting to incorporate either ammonium bicarbonate buffers or phosphate buffers into a gradient, particularly when working with phosphate buffers. These buffers run the risk of precipitation when blended with high percentages of organic solvents, and a solubility study is recommended. Lastly, be sure to include your intended mobile-phase buffer as a portion of your sample diluent to align the pH of your mobile phase, which will benefit the peak shape and reproducibility. Using a gradient where the mobile phase has a consistent buffering strength and pH value will ultimately improve the reproducibility of the LC method.

The effects of gradient on buffer capacity

News from LabRulezLCMS Library - Week 23, 2025

Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 9th June 2025? Check out new documents from the field of liquid phase, especially HPLC and LC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT LCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">LabRulezGCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you application notes by Agilent Technologies, Shimadzu and Thermo Fisher Scientific!<h3>1. Agilent Technologies: Analysis of Oligonucleotides Using Ion-Pairing Alternatives on the Agilent Pro iQ Plus</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.cz/labrulez-bucket-strapi-h3hsga3/an_oligonucleotide_analysis_pro_iq_plus_5994_8337en_agilent_87863ea5c1.pdf">Full PDF for download</a></li></ul>Oligonucleotides are an emerging therapeutic modality that target and modulate gene expression through the silencing or degradation of mRNA. Once an mRNA target is identified, the antisense sequence must be optimized with strategically incorporated chemical modifications to improve pharmacokinetics1 , affinity, and minimize off-targeting or mismatching.2&nbsp;Ion-pair reversed-phase LC/MS is commonly used to confirm the molecular weights of target oligo sequences to ensure proper synthesis. However, using alkylamines as ion-pairing agents often requires dedicated instrumentation. Furthermore, toxic and cost-prohibitive perfluorinated alcohols such as HFIP (hexafluoroisopropanol) are required for optimal chromatographic separation and MS sensitivity.&nbsp;In this application, an alternative reversed-phase approach was used for molecular confirmation of oligonucleotides. The method used ammonium bicarbonate instead of ion pairing, while still providing sufficient chromatographic retention and MS sensitivity. Twenty replicate injections of three different antisense oligonucleotides and five replicates of a single siRNA were performed to ensure the applicability and reproducibility of the method.<h4>Experimental&nbsp;</h4><h5>Instrument configuration&nbsp;</h5>This experiment was conducted using the following instrument configuration:<ul><li>Agilent <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?manufacturerItems=1&amp;search=InfinityLab+Pro+iQ+Plus+LC%2FMS">InfinityLab Pro iQ Plus LC/MS</a> system (G6170A)&nbsp;</li><li>Agilent Infinity II 1290 bio binary pump (G7120A)&nbsp;</li><li>Agilent Infinity II 1290 bio multisampler (G7167B)&nbsp;</li><li>Agilent Infinity II 1290 bio column compartment (G7116B)&nbsp;</li><li>Agilent Infinity II 1260 diode array detector HS (G7117C)&nbsp;</li></ul>Although this analysis used an <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?manufacturerItems=1&amp;search=Infinity+II+LC">Infinity II LC</a> configuration, comparable results can be achieved on the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?manufacturerItems=1&amp;search=Infinity+III+LC">Infinity III LC</a> system with no changes to method parameters.<h4>Results and discussion</h4>Established in 1997, an alkylamine ion pair with perfluorinated alcohol as the acidic modifier is the preferred mobile phase for LC/MS analysis of oligonucleotides.3 This is due to its chromatographic performance and electrospray efficiency, especially when compared to mobile phases using acetate as the counter ion. Extensive work has further demonstrated a wide experimental design space when using this powerful ion-pairing system.4&nbsp;However, there are consequences when using alkylamine and HFIP for LC/MS methods. First, optimization of buffer components is necessary since oligo modifications and sequence affect electrospray desorption and chromatography.5 Second, alkylamine may contaminate ionization sources and LC systems, leading to background peaks if polarity is switched back to positive mode. Consequently, this requires extensive cleaning/passivation of LC components and ion source surfaces. Even then, some labs may dedicate systems to negative mode due to the adsorption of alkylamines onto the LC/MS system. Finally, alkylamine-containing mobile phases have a short shelf life if not kept sealed under argon gas, and thus, mobile phases must be made fresh, sometimes daily, to ensure consistent method performance.&nbsp;For labs performing molecular weight confirmation workflows where many oligos are analyzed, optimizing mobile phase conditions may not be feasible. Additionally, LC/MS downtime due to instrument maintenance and daily preparation of buffers may lead to sample backlogs, which for many labs can be a considerable challenge. A more practical approach would be to use a non-ion-pairing, reversed-phase methodology.&nbsp;Recent work provides a more practical and cost-effective alternative to ion pairs, using an ammonium bicarbonate (NH4 HCO3) buffer and methanol as the strong solvent.6 This is an advantageous method for molecular weight confirmation, as ESI sensitivity and chromatographic performance are sufficient, even with minimal optimization of the mobile phase and gradient. Further, this referenced work postulates that carbon dioxide outgassing facilitates droplet formation, while ammonia evaporation contributes to proton adduction, thus allowing for positive mode analysis. This, therefore, eliminates the need to dedicate a system for negative mode analysis.<h4>Conclusion</h4>The method described in this application note provides a practical approach for medium- to high-throughput molecular confirmation of synthetic oligonucleotides. The Agilent Pro iQ Plus demonstrates excellent resolution and sensitivity for a unit mass detector, even at high m/z ranges that exceed the capabilities of many single quadrupole detectors. The method uses a novel ammonium bicarbonate mobile phase, providing sufficient LC/MS performance for labs analyzing many types of oligos, including antisense oligonucleotides and siRNAs. LC and MS results described in this application note are reproducible. Data analysis workflows are simplified using Agilent OpenLab CDS MS spectral deconvolution, which is automated by unattended processing methods that require minimal optimization.<h3>2. Shimadzu: One System, Multiple Solutions: Analysis of PFAS &amp; Cyanotoxins in Water Adhering to EPA 537.1, 544, and 545&nbsp;</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.cz/labrulez-bucket-strapi-h3hsga3/an_02_ssi_176_en_792c78f426.pdf">Full PDF for download</a></li></ul>User Benefits<ul><li>A single Shimadzu LCMS-8060RX triple quadrupole mass spectrometer can successfully quantitate both PFAS and cyanotoxins in water with automatic method switching.</li><li>With only a five-minute rinsing time between methods, the system maintains high accuracy and sensitivity over an extended run time, even with multiple injections and method changes.</li><li>This single system approach allows laboratories to respond swiftly to emergencies, like Harmful Algae Blooms, while minimizing disruption to routine PFAS testing and eliminating the need to invest in multiple instruments.</li></ul>Per- and Polyfluoroalkyl Substances (PFAS) are a group of synthetic chemicals extensively used in consumer products (e.g., food packaging materials and non-stick coatings) and industrial applications such as firefighting foams and polymer/plastics manufacturing. Their remarkable properties, including high stability and resistance to degradation, coupled with widespread usage, have led to their persistent accumulation in the environment. Consequently, regulatory and governmental organizations, including the US Environmental Protection Agency (EPA) and the European Chemicals Agency (ECHA)1, are working to restrict their presence in the environment.&nbsp;In the United States, EPA Method 537.1 is one of the approved methods by EPA for the analysis of PFAS in drinking water. It targets 18 compounds, utilizing solid-phase extraction (SPE) followed by liquid chromatography-tandem mass spectrometry (LC-MS/MS) for detection at low ng/L concentrations2. EPA Method 533 is the only other EPAapproved method for PFAS analysis in drinking water. It follows a workflow similar to that of EPA Method 537.1 but expands the target list to include 25 PFAS compounds3.&nbsp;PFAS is not the only concern—other contaminants in drinking water can also pose significant health risks. Cyanobacteria, also referred to as blue-green algae, are photosynthetic organisms that thrive in both freshwater and marine ecosystems. The frequency and occurrence of Harmful Algae Blooms (HABs) have risen substantially over the years, primarily due to human-induced inputs of phosphorus and nitrogen into aquatic systems, fueling the global increase in harmful algal blooms. These organisms can significantly affect water quality by producing cyanotoxins such as cylindrospermopsin, anatoxin-a and microcystins. Exposure to these cyanotoxins can cause a range of adverse health effects in humans and animals, from mild skin irritations to severe illnesses4.&nbsp;The US EPA has established Methods 544 and 545 as analytical protocols for detecting cyanotoxins in drinking water and freshwater. EPA Method 544 is designed to detect microcystins and nodularin5, while EPA Method 545 targets cylindrospermopsin and anatoxin-a 6. Both methods employ liquid chromatography-tandem mass spectrometry (LCMS/MS) for precise analysis.Ideally, separate instruments should be dedicated to analyzing PFAS and cyanotoxins to minimize the risk of contamination and interference. However, with the growing demand for water testing and rapid turn-around-times during emergencies that may alter routine testing, a single system capable of handling multiple methods offers a more costeffective solution. This application demonstrates the accurate and robust quantification of PFAS and cyanotoxins, performed in accordance with EPA Methods 537.1, 545, and 544, using a single Shimadzu LCMS-8060RX triple quadrupole mass spectrometer with automatic method switching.<h4>Method</h4>System configuration: A Shimadzu <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?manufacturerItems=3&amp;search=LCMS-8060RX">LCMS-8060RX</a> triple quadrupole mass spectrometer (Figure 1) was used to quantify the PFAS and cyanotoxins in water. The front-end liquid chromatography (LC) system was configured with the Shimadzu LC-40 series, ensuring seamless automation, method switching, and high efficiency. Key modules include three degassers (one 3-channel and two 5-channel), two LC40 solvent pumps equipped with low-pressure gradient (LPGE) modules, an autosampler, a system controller, a column oven with two column switching valves (one 6-port, 2-position valve and one 7-port, 6-position valve).PFAS contamination can originate from solvent containers and consumables used in the LC system. To minimize background interference, a delay column is implemented before the autosampler to separate background PFAS from target analytes.<h4>Conclusion&nbsp;</h4>This study demonstrates the successful quantification of PFAS (EPA 537.1) and cyanotoxins, including microcystins and nodularin (EPA 544) as well as cylindrospermopsin and anatoxin-a (EPA 545), using a single triple quadrupole mass spectrometer with automatic method switching. By leveraging this streamlined approach, we achieved precise and reliable measurements while maintaining high accuracy and sensitivity across extended analytical runs, even with multiple injections and frequent method transitions.&nbsp;A key advantage of this approach is the efficient switching between analytical methods with only a five-minute rinse between methods. This ensures complete removal of residual analytes and prevents mobile phase contamination, allowing smooth transitions between PFAS and cyanotoxin analysis without compromising data quality. The rapid automatic rinsing process eliminates the need for extensive manual intervention, reducing instrument downtime and increasing overall laboratory productivity.&nbsp;By consolidating multiple analytical methods into a single instrument, this approach minimizes the need for separate systems, thereby reducing both capital investment and maintenance costs. This single system enables laboratories with the capability to respond quickly to emergencies, such as HABs, without major disruption of their routine testing, for PFAS and potentially other organic contaminants. Furthermore, automation significantly enhances operational efficiency by minimizing manual labor requirements, improving reproducibility, and optimizing high-throughput sample analysis. This method provides a cost-effective and reliable solution for laboratories performing environmental monitoring and regulatory compliance testing.<h3>3. Thermo Fisher Scientific: Comprehensive screening of per- and polyfluoroalkyl substances (PFAS) in textiles: Utilizing combustion ion chromatography for total organic fluorine (TOF) analysis</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.cz/labrulez-bucket-strapi-h3hsga3/an_003571_ic_Integrion_fluoride_textiles_an003571_na_en_8643b1e42a.pdf">Full PDF for download</a></li></ul>Per- and polyfluoroalkyl substances (PFAS) are used globally across various industries and comprise thousands of individual compounds. These amphipathic substances are extensively incorporated into textile-based products, such as clothing, carpets, and other household items to provide waterproofing, oil, dirt, and heat protection, as well as increased durability. PFAS can be released from functional textiles according to an outdoor aging study.1 The Department of Toxic Substances Control (DTSC) has found that treated textiles and leathers are major sources of PFAS exposure for people and the environment, particularly through inhalation when using these products. PFAS also contribute to widespread environmental contamination, similar to other consumer products like food packaging and cosmetics.2Traditionally, PFAS testing has been conducted using liquid chromatography coupled with triple quadrupole mass spectrometry (LC-QQQ). While LC-QQQ is a targeted analytical technique, its results are limited to compounds for which standards are available. Consequently, these targeted studies do not necessarily provide a comprehensive measurement of the total PFAS in samples. Recently, laboratories have focused on developing and validating lower-cost alternatives that offer a more comprehensive measure of total PFAS content. This has led to the development of several methods for measuring total fluorine (TF) as a proxy for total PFAS contamination in textiles. Technologies employed in these methods include combustion ion chromatography (CIC)5 and particle-induced γ-ray emission spectroscopy (PIGE).6 However, measuring only TF is not a reliable proxy for PFAS, as it includes both organic and inorganic fluorine, the latter of which is not considered PFAS. Using TF as a measure of PFAS may result in overestimating the amount of PFAS in samples.&nbsp;California AB 1817 introduces a new methodology for testing PFAS contamination or intentional use of PFAS in fabrics based on the amount of TOF in the sample. This is a significant change from previous approaches, employing a non-specific untargeted method to PFAS detection and quantification. In this study, we developed a method to determine TOF in textiles using CIC. CIC offers excellent sensitivity and versatility, independent of sample thickness, and the capability for direct ion chromatography (IC) analysis to determine inorganic fluorine (IF).<h4>Experimental&nbsp;</h4><h5>Equipment&nbsp;</h5>A <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/408">Thermo Scientific™ Dionex™ Integrion™ HPIC™ System</a> (P/N 22153-60306) including:&nbsp;<ul><li>Eluent generator&nbsp;</li><li>Pump&nbsp;</li><li>Degasser&nbsp;</li><li>Conductivity detector&nbsp;</li><li>Column oven temperature control&nbsp;</li><li>Detector-suppressor compartment temperature control&nbsp;</li></ul>Nittoseiko Automatic Combustion Unit Model AQF–2100H system* including:&nbsp;<ul><li>Automatic Sample Changer ASC-270LS&nbsp;</li><li>Horizontal Furnace Model HF-210&nbsp;</li><li>Gas Absorption Unit GA-211&nbsp;</li><li>External Solution Selector ES-210&nbsp;</li><li>*Any combustion oven with equivalent performance will work.</li></ul><h5>Software&nbsp;</h5><ul><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/76">Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS)</a> Version 7.3 1 with DDK driver to control the combustion system</li></ul><h4>Results and discussion</h4><h5>TOF in textile samples by CIC</h5>The TF in a sample is defined as the sum of TIF and TOF. In this study, TOF was determined by subtraction of TIF from TF. After combusting the solid sample, TF was measured using IC. High concentrations of TF (&gt;100 ppm) were observed in five of the six samples tested (Table 2).&nbsp;TIF was measured using IC after extracting the ground textile samples with DI water. The contribution of TIF to TF was found to be very small (&lt;1 ppm) as shown in Table 2. Even after subtracting TIF, the TOF remained above 100 ppm for five of the samples. Therefore, the five samples did not meet the regulatory limit of 100 ppm TOF set by the state of California.3&nbsp;Figure 5 shows the IC chromatograms of TF and TIF of Sample #1. Fluoride is well separated from other anions that may be present in samples, allowing for accurate determination.<h4>Conclusion&nbsp;</h4>We developed a sensitive and accurate method using CIC to determine TOF in textiles. The method offers a detection limit of 0.37 ppm, which is significantly lower than the regulatory threshold of 100 ppm, ensuring reliable detection of PFAS. Spiked recovery experiments show the method’s accuracy falls within a range of 85–105%. This TOF method is beneficial for manufacturers who want to ensure compliance with current state regulations. Moreover, the CIC workflow provides a more comprehensive understanding of the total PFAS and fluorinated content in textiles compared to LC-MS targeted approaches, offering greater clarity about the potential PFAS contamination in textiles.

News from LabRulezLCMS Library - Week 24, 2025

In industrial processes, accurately determining halogens and sulfur in industrial processes is crucial due to their significant impact on product quality, equipment longevity, and adherence to environmental regulations. Halogens, such as fluorine, chlorine, bromine, iodine, and sulfur compounds, are found across various industries, including consumer product manufacturing, petroleum refining, and chemical production. These elements can influence corrosion rates, catalytic performance, and operational safety, making their monitoring essential for optimal process control.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Robust_Analysis_of_Halogens_and_Sulfur_in_Industrial_and_Environmental_Samples_2e0e076113.jpg" alt="Thermo Fisher Scientific: Robust Analysis of Halogens and Sulfur in Industrial and Environmental Samples" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Robust_Analysis_of_Halogens_and_Sulfur_in_Industrial_and_Environmental_Samples_2e0e076113.jpg 245w," sizes="100vw" width="1024" height="512"><article><div><h3>What is combustion-ion chromatography (C-IC)?</h3><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/content/lifetech/global/en/home/industrial/chromatography/chromatography-learning-center/ion-chromatography-information/ion-chromatography-technology/combustion-ion-chromatography.html">Combustion-ion chromatography (C-IC)</a> is an advanced analytical technique that integrates the processes of sample preparation and analyte determination into a single, automated system. This method involves the combustion of samples to convert halogens and sulfur into their respective ionic forms, which are then analyzed using ion chromatography. The integration of these processes ensures consistent, accurate, and sensitive determinations while saving valuable hands-on time and minimizing exposure to hazardous chemicals and pressurized vessels. For additional information on how C-IC works, visit the <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/content/lifetech/global/en/home/industrial/chromatography/chromatography-learning-center/ion-chromatography-information/ion-chromatography-technology/combustion-ion-chromatography.html">Combustion-Ion Chromatography Learning Center</a>.<h3>Applications of combustion-ion chromatography</h3>C-IC is best suited to applications that require precise determination of halogens and sulfur, where its automation and sensitivity provide more reliable and reproducible results. These applications include:<ul><li>Environmental monitoring:&nbsp;Detecting and quantifying halogens and sulfur in water, soil, and air to ensure compliance with <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/content/lifetech/global/en/home/industrial/environmental.html">environmental</a> regulations.</li><li>Consumer product testing:&nbsp;Analyzing consumer products for halogen content to ensure safety and compliance with regulatory standards.</li><li>Petroleum refining:&nbsp;Monitoring sulfur content in fuels to optimize refining processes and ensure product quality.</li><li>Chemical manufacturing:&nbsp;Ensuring the purity of chemical products by accurately determining halogen and sulfur content.</li><li>Waste management:&nbsp;Assessing the presence of halogens and sulfur in waste materials to facilitate proper disposal and minimize environmental impact.</li></ul><h3>Why use combustion-ion chromatography?</h3>C-IC is highly effective for determining halogens and sulfur in a variety of samples. It offers:<ul><li>Enhanced sensitivity:&nbsp;C-IC provides sensitivity down to parts per billion, making it ideal for detecting low concentrations of halogens and sulfur.</li><li>Automation:&nbsp;The integration of sample preparation and analysis processes reduces hands-on time and enhances reproducibility.</li><li>Versatility:&nbsp;C-IC is suitable for a wide range of sample types, including solids, liquids, and gases.</li><li>Compliance:&nbsp;Accurate determination of halogens and sulfur can assist with stringent regulatory standard compliance.</li><li>Efficiency:&nbsp;The automated process minimizes the risk of contamination and ensures consistent, reliable results.</li></ul><blockquote>For more details about how C-IC and C-IC methodologies can benefit your laboratory, download our white paper: <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/wp_003769_ic_systems_combustion_ic_system_environmental_wp003769_na_en_482946411d.pdf">Enhancing the efficiency and effectiveness of halogen and sulfur monitoring in challenging environmental and industrial samples</a>Already know that you’re interested in a new C-IC system? Learn how the <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/content/lifetech/global/en/home/industrial/chromatography/ion-chromatography-ic/cindion-combustion-ic-system.html">Thermo Scientific Cindion Combustion IC system</a> can transform your laboratory’s analytical capabilities and ensure the highest standards of accuracy and efficiency in your analyses.Visit us on <a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/72003132/admin/dashboard/">LinkedIn:</a> #HalogenAnalysis #SulfurAnalysis #CIC</blockquote><blockquote>Dr. Carl FisherDr. Carl Fisher is a Product Marketing Manager in the Ion Chromatography/Sample Preparation (IC/SP) business unit of Thermo Fisher Scientific, focusing on delivering intuitive, reliable IC and sample preparation solutions for routine analyses.</blockquote></div></article>

Robust Analysis of Halogens and Sulfur in Industrial and Environmental Samples

Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 16th June 2025? Check out new documents from the field of liquid phase, especially HPLC and LC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT LCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">LabRulezGCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you brochure by Agilent Technologies and application notes by Shimadzu, Thermo Fisher Scientific and Waters Corporation!<h3>1. Agilent Technologies: PFAS Analysis Without Compromise</h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/br_sample_prep_solutions_for_environmental_pfas_analysis_5994_8377en_agilent_f4acd7c313.pdf">Full PDF for download</a></li></ul>The brochure presents Agilent’s comprehensive solutions for environmental PFAS (per- and polyfluoroalkyl substances) analysis, designed to support laboratories in meeting increasingly stringent regulatory standards. Given the persistence and bioaccumulative nature of PFAS in water, soil, and biological samples, effective and contamination-free sample preparation is crucial. Agilent offers a complete range of solid phase extraction (SPE) cartridges and start-up kits specifically tailored for EPA and ISO PFAS methods, including EPA 533, 537.1, and 1633, as well as ISO 21675:2019. These tools ensure high recovery rates, method compliance, and minimal contamination risk.At the heart of Agilent’s offering are the Bond Elut PFAS WAX and Bond Elut PFAS WAX/Carbon S dual-phase cartridges. The WAX cartridges utilize polymeric PSDVB sorbent with diamino functionality for strong retention and selectivity, making them ideal for extracting a broad range of PFAS classes, from carboxylic and sulfonic acids to fluorotelomer sulfonates and polyfluoroalkyl ethers. The dual-phase WAX/Carbon S cartridges combine high PFAS recovery with superior matrix cleanup, effectively handling complex samples like biosolids and fish tissues in compliance with EPA Method 1633.Agilent ensures batch-to-batch consistency through rigorous quality control. Each cartridge batch comes with a Certificate of Analysis (CoA), verifying PFAS cleanliness and recovery. This level of assurance helps labs reduce verification workload while ensuring reliable, reproducible results. Additionally, the products are compatible with automated sample preparation systems, which is essential for high-throughput labs aiming to optimize workflow efficiency.To further support labs, Agilent offers specialized PFAS Start-Up Kits and PFC-free HPLC conversion kits for ultratrace PFAS analysis. These complete workflow solutions include vials, columns, filters, and sorbents engineered to prevent PFAS contamination. Whether the application is environmental or food-related, Agilent’s portfolio equips laboratories with the tools they need to conduct PFAS testing with confidence, accuracy, and regulatory compliance.<h3>2. Shimadzu: Chiral Amino Acid Analysis Using a Single Quadrupole Mass Spectrometer</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00870_en_19d0c986a5.pdf">Full PDF for download</a></li></ul>User Benefits<ul><li>Separation with a chiral column enables direct analysis of chiral amino acids without pretreatment by derivatization.</li><li>By using a high-performance single quadrupole LC-MS system, even trace quantities of D-amino acids can be detected in foods and cosmetics</li></ul>Of the 20 types of amino acids included in proteins, optical isomers exist for all but glycine. Most naturally occurring amino acids are L-amino acids, but advancements in analytical technology have revealed the presence of D-amino acids in many organisms. It is also becoming evident that D-amino acids have different physiological functions than L-amino acids. Consequently, D-amino acids perform attracted attention in basic research related to their physiological and medical functions and for applications in the fields of food, health, and beauty.&nbsp;This Application News article describes using a single quadrupole LC-MS system with a crown ether-type chiral column to analyze chiral amino acids, which enables rapid analysis of chiral amino acids without derivatization pretreatment. If a comprehensive analysis of all hydrophilic metabolites that includes amino acids is required, refer also to Application News No. 01-00334-EN, which describes a useful technique forsuch analysis.<h4>Instruments and Analysis Conditions&nbsp;</h4>Analysis was performed with a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?manufacturerItems=3&amp;search=Nexera+series+HPLC+">Nexera series HPLC </a>system that was combined with an <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?manufacturerItems=3&amp;search=LCMS-2050">LCMS-2050</a> LC-MS system (Fig. 1). Although compact, the LCMS-2050 single quadrupole mass spectrometer offers easy operability and outstanding performance. Equipped with a DUIS heated ion source, which provides the benefits of both ESI and APCI, it can analyze masses ranging from m/z 2 to 2000. That makes it well suited for simultaneously analyzing all metabolites, including amino acids, as described in Application NewsNo. 01-00334-EN.&nbsp;The analysis condition settings for HPLC and MS are shown in Table 1. The analysis conditions for LCMS-2050 was configured based on the analysis conditions in the LC/MS/MS Method Package for D/L Amino Acids. Using a crown ether-type chiral column enables the chiral separation of all amino acids except proline, which is a secondary amine.<h4>Conclusion&nbsp;</h4>This article describes using a chiral column and a single quadrupole LC-MS system to analyze chiral amino acids. The technique enables direct analysis of chiral amino acids without derivatization pretreatment. Although sensitivity is lower than a triple quadrupole LC-MS system, it offers equivalent or higher sensitivity than a quadrupole time-of-flight LC-MS system or a fluorescence detector. So while it is not appropriate for analyzing ultra-trace concentrations of chiral amino acids, it is well suited to analyzing foods and other samples that contain large amounts of chiral amino acids. It also offers good throughput, with the ability to analyze samples within 15 minutes, even if that involves switching between (+) and (-) columns to separate components from contaminants in the samples. This also makes it well suited for analyzing large quantities of samples. Widespread adoption of the described techniques for chiral amino acid analysis can be expected to lead to continuous advancements in the R&amp;D of foods, cosmetics, and othersamples.<h3>3. Thermo Fisher Scientific: Enhanced screening of PFAS compounds in wastewater: Implementing U.S. EPA Method 1621 with improved combustion-ion chromatography</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_003774_ic_ic_systems_combustion_environmental_an003774_na_en_db0fb51b4c.pdf">Full PDF for download</a></li></ul>Per- and polyfluoroalkyl substances (PFAS) is the collective name for over 14,000 synthetic fluorinated compounds. A PFAS compound is defined as a compound containing a fully fluorinated methyl group or methylene on an alkane functional group (Organisation of Economic Co-operation and Development (OECD)) or as a fluorinated compound with at least two adjacent saturated carbons with one carbon fully fluorinated and the other at least partially fluorinated (U.S. Environmental Protection Agency (EPA)).1,2 Since the 1940s, PFAS have been prevalent in many polymers, surfactants, fire-suppression chemicals, industrial products, and consumer products.3-6 In addition to their extensive presence, PFAS compounds are persistent and bioaccumulate. Consequently, PFAS compounds are an environmental contamination concern. Toxicological studies of several PFAS compounds, such as perfluorooctanoic acid (PFOA) and perfluorooctane sulfonate (PFOS), indicate the potential for acute to chronic effects impacting reproductive health.7-11 Fewer studies have been conducted on the thousands of other compounds grouped under the EPA PFAS classification.2The U.S. EPA has defined targeted and non-targeted analysis methods for PFAS.12-18 Combustion-ion chromatography (C-IC) was previously demonstrated as a screening method for PFAS; PFAS compounds are converted to HF, and the subsequent fluoride is analyzed by ion chromatography (IC) with suppressed conductivity detection.19-24 This technique is incorporated into EPA Method 1621 for non-targeted determinations of PFAS as adsorbable organic fluorine (AOF).25-28 Our results from the EPA Method 1621 multi-laboratory study are also published in the Thermo Scientific Application Note AN002748 with additional tips for successful implementation in the Thermo Scientific Technical Note TN003056.29,30&nbsp;In the EPA Method 1621 collaboration study, we found that reduced baseline contamination and increased sensitivity, accuracy, and precision can be achieved by minimizing sources of contamination.29,30 Another approach to reduce baseline contamination is to design the adsorption and combustionabsorption systems in a way that reduces or eliminates contamination sources. In this application, EPA Method 1621 is implemented on the offline Thermo Scientific™ Cindion™ Adsorption module, a Cindion Combustion / Absorption module with liquid and solid sample handling, and a Thermo Scientific™ Dionex™ Inuvion™ Reagent-free Ion Chromatography (RFIC™) System. The adsorption module was designed to minimize contamination by eliminating contamination sources. To increase throughput, the adsorption module is designed to semiautomatically adsorb PFAS from six water samples at a time. The Thermo Scientific™ Cindion™ Combustion-Ion Chromatography (C-IC) System was optimized for increased combustion efficiency by incorporating a Z-fold combustion tube to introduce oxygen at multiple locations. As a result, the combustion tube and furnace are shorter, and combustion times are reduced. This also results in a smaller footprint, saving crowded bench space. Data processing and system management are also more efficient because the Cindion C-IC system is controlled by a single software, the Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS). Overall, this solution provides improved sensitivity due to increased signal-to-noise, improved recoveries of added standards, and comparable reproducibility to previous results in a smaller footprint.<h4>Experimental&nbsp;</h4><h5>Equipment&nbsp;</h5>Cindion C-IC system&nbsp;<ul><li>Thermo Scientific™ Cindion™ Combustion / Absorption Module (P/N B51006425) with Thermo Scientific™ Cindion™ C-IC Solids Kit (P/N B51006426)&nbsp;</li><li>Thermo Scientific™ Cindion™ Solid / Liquids Autosampler (P/N B51006429)</li><li>Thermo Scientific™ Cindion™ Adsorption Module (P/N B51006430), includes six column holders&nbsp;</li><li>Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1078">Dionex™ Inuvion™ IC System</a> with RFIC (P/N 22185-60108)&nbsp;</li><li>Optional Thermo Scientific™ Dionex™ Eluent Monitor, 4 L (P/N 22185-62708)&nbsp;</li><li>Thermo Scientific™ Thermolyne™ Muffle furnace, 2 L small bench top, to clean combustion cups, recommended for EPA Method 1621 (P/N FB1415M)&nbsp;</li></ul>Software&nbsp;<ul><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/76">Chromeleon CDS software</a>, Chromeleon 7 version 3.2, with Cindion C-IC system and eluent monitor drivers</li></ul><h4>Results and discussion&nbsp;</h4>The official EPA Method 1621 was updated from the draft method, and therefore, some of the section enumerations have changed. In addition, this method was updated from the EPA method by initiating the gradient at 4 min instead of 6 min to ensure that all anions are fully eluted from the column. Initial demonstration of capability In EPA Method 1621, the initial demonstration of capability (IDC) is required before analyzing samples. IDC includes determining the retention time windows of fluoride and chloride, calibration with relative standard error (RSE) 1 min from the water dip (void volume) and other peaks eluting near fluoride for accurate determinations. In hydroxide eluent separations with suppressed conductivity, as shown in Figure 2, the water dip is small and isolated from fluoride. Fluoride elutes away from the water dip in a flat baseline region. The results of these retention time experiments are summarized in Table 1. Fluoride meets the retention time criteria.<h4>Conclusion&nbsp;</h4>This application note demonstrates U.S. EPA Method 1621 results using an improved C-IC workflow solution. The C-IC complete flow path includes the adsorption of PFAS in wastewater samples using the offline Cindion adsorption module, the combustion of the PFAS to fluoride using the Cindion combustion-absorption system, and quantitation using a Dionex Inuvion IC instrument with RFIC. The results were improved compared to previous implementation of EPA Method 1621 in Thermo Scientific Application Note AN002748. MDLs were improved (1.7 μg/L vs. 2.3 μg/L) with comparable reproducibility (4.5% RSDs vs. 4.6%) and improved accuracy (82–101% vs. 70–120%) as compared to previous results. This method showcases significant advantages of the Cindion C-IC system for measuring AOF and screening for PFAS in wastewater. In addition to ease of use, RFIC with hydroxide eluents provides more accurate reporting because fluoride easily elutes from the water dip, eliminating the need for manual integration. These data collectively highlight the power of C-IC in eliminating the sample matrix and measuring only adsorbable fluorine content in samples, successfully achieving the goals outlined in U.S. EPA Method 1621.<h3>4. Waters Corporation: Enhanced Reliability for Long-Term PFAS Analysis with the Xevo TQ Absolute XR Mass Spectrometer</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720008824_en_a91738478b.pdf">Full PDF for download</a></li></ul>Benefits<ul><li>Xevo TQ Absolute XR provided maximal system uptime for PFAS analysis across 10 weeks and more than 7000 injections with no unscheduled downtime.</li><li>Reliable calculated concentrations were maintained for PFAS at relevant levels in extracts of river water, biosolid, and landfill leachate with %RSDs of &lt;8.4%.</li><li>Seamless batch review and long-term calibration management using waters_connect™ for Quantitation Software accelerated data validation workflows.</li></ul>As awareness grows around the environmental and health impacts of PFAS, regulatory pressure continues to intensify globally. The EPA Method 1633A1 has become a critical protocol for the quantitation of 40 PFAS compounds in diverse environmental matrices, including non-potable water, soils, biosolids, and tissues. Although the method describes a solid phase extraction (SPE) clean-up step for all sample types, these matrices still contain co-extractive interferents when introduced into an LC-MS/MS system, which can contaminate the system and degrade method performance over time. This application note describes how the StepWave XR Ion Guide, a novel slotted bandpass ion guide within the Xevo TQ Absolute XR Mass Spectrometer, can be integrated into a typical PFAS workflow to enhance signal robustness while preserving sensitivity and speed, thereby boosting method reliability.<h4>Experimental</h4><h5>LC Conditions</h5><ul><li>UPLC system: <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/191">ACQUITY™ Premier System </a>with Binary Solvent Manager and Flow-Through Needle&nbsp;</li></ul><h5>MS Conditions</h5><ul><li>MS system: <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/554">Xevo TQ Absolute XR Mass Spectrometer</a></li></ul><h4>Results and Discussion</h4><h5>QC Performance&nbsp;</h5>Method performance was evaluated every 10 sample extract injections to ensure that the weekly calibration of the method was stable. Figure 2 shows the QC plots for GenX, L-PFHxS, L-PFOS, PFBS, PFNA, and PFOA with a tolerance of ±30% set from the assigned concentration level (0.1–0.2 ng/mL) over the course of the study. Table 1 lists the %RSDs for the ion ratios for the same compounds. QC measured concentrations and ion ratios were within the set tolerances across 10 weeks and more than 7,000 injections with no unscheduled downtime. This illustrates the reliability of the Xevo TQ Absolute XR for PFAS analysis using a weekly calibration routine.<h4>Conclusion</h4>The StepWave XR Ion Guide within the Xevo TQ Absolute XR Mass Spectrometer was introduced into a typical PFAS workflow and shown to maintain method reliability for extended periods of time. The Xevo TQ Absolute XR provided maximal system uptime for PFAS analysis across 10 weeks and more than 7,000 injections with no unscheduled downtime. Concentrations for PFAS at relevant levels were reliably calculated in extracts of river water, biosolids, and landfill leachate with trueness in the range 70–130% and %RSDs of &lt;8.4%. These findings support the Xevo TQ Absolute XR as a powerful platform for laboratories seeking to meet regulatory requirements for PFAS monitoring while minimizing system downtime and maintenance.&nbsp;

News from LabRulezLCMS Library - Week 25, 2025

News from LabRulezLCMS Library - Week 26, 2025

With the release of <a target="_blank" rel="noopener noreferrer" href="https://mestrelab.com/main-product/mnova?utm_source=adv&amp;utm_medium=labrulez&amp;utm_campaign=june&amp;utm_term=mnova%2016&amp;utm_content=blogpost">Mnova 16</a>, a new and powerful way to handle results from scientific data analysis is now available by using the NoSQL DB Connector, included in <a target="_blank" rel="noopener noreferrer" href="https://mestrelab.com/main-product/gears?utm_source=adv&amp;utm_medium=labrulez&amp;utm_campaign=july&amp;utm_term=mnova%2016%20-%20nosql&amp;utm_content=app%20note">Mgears 2.7</a>.This new connector enables direct integration with NoSQL databases such as MongoDB and Amazon DocumentDB, allowing for flexible, scalable, and searchable storage of Mgears results – perfect for high-throughput environments and complex workflows.A newly published Application Note explores:<ul><li>When and why connecting Mgears to a NoSQL DB is beneficial</li><li>How to send results from Mgears to a NoSQL DB</li><li>How to build filtered views to show selected sample data</li><li>How to create simple views for use in BI tools like Spotfire</li><li>How data stored in NoSQL DB can be connected to AI frameworks like TensorFlow for building predictive models</li></ul>These capabilities are illustrated with real examples using datasets from LCMS system suitability testing and reaction optimization analysis, demonstrating how this connector offers the capability to handle analytical data in a more dynamic way resulting in faster data-driven decision-making.The connector works with Mgears’ native JSON outputs and avoids the need for predefined schemas – making it especially suitable for workflows that evolve over time.<blockquote><a target="_blank" rel="noopener noreferrer" href="https://mestrelab.com/resources/the-mgears-nosql-db-connector.html?utm_source=adv&amp;utm_medium=labrulez&amp;utm_campaign=july&amp;utm_term=mnova%2016%20-%20nosql&amp;utm_content=app%20note">Read the full Application Note.</a></blockquote>

Mgears 2.7 Introduces a new NoSQL DB Connector

Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 7th July 2025? Check out new documents from the field of liquid phase, especially HPLC and LC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT LCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">LabRulezGCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you application note by Agilent Technologies and posters by Shimadzu / ASMS, Thermo Fisher Scientific / ASMS and Waters Corporation / ASMS!<h3>1. Agilent Technologies: Rapid and Sensitive Analysis of Antifungal Agents in Human Serum Using the Agilent 6475 LC/TQ</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_antifungal_human_serum_5994_8338en_agilent_89f89cb4dc.pdf">Full PDF for download</a></li></ul>In addition to minimizing drug-related toxicity, TDM has been hailed as a key step to prevent the emergence of drug resistance. The growing number of invasive fungal infections creates a ripple effect on the rapid advancement of TDM for antifungal agents. Increasing evidence confirms the critical role of TDM in preventing and treating antifungal infections.1 The RECIPE ClinMass TDM kit system for antimycotics in serum (Munich, Germany) was used on a 6475 LC/TQ for the analysis of eight antifungal agents. This application note demonstrates the evaluation and validation of the RECIPE TDM kit, covering sensitivity, linearity, and robustness across five consecutive days (n =&nbsp;5). Quick and simple sample preparation was implemented, providing high-throughput monitoring of antifungal agents in biological&nbsp;samples.<h4>Experimental</h4><h5>Instrumentation</h5><ul><li>Liquid Chromatography System&nbsp;<ul><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?manufacturerItems=1&amp;search=Agilent+1290+Infinity+II">Agilent 1290 Infinity II</a> High-Speed Pump&nbsp;</li><li>Agilent 1290 Infinity II Multisampler&nbsp;</li><li>Agilent 1290 Infinity II Multicolumn Thermostat&nbsp;</li></ul></li><li>Mass Spectrometry System&nbsp;<ul><li>Agilent <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?manufacturerItems=1&amp;search=6475+LC%2FTQ">6475 LC/TQ &nbsp;</a></li><li>Agilent Jet Stream Technology Ion Source (AJS)</li></ul></li></ul><h5>Method&nbsp;</h5>The optimization of multiple reaction monitoring (MRM) transitions for analytes and ISTDs was carried out using Auto MRM Optimizer in the Agilent MassHunter acquisition software to provide optimal sensitivity and selectivity. Data were processed using the Agilent <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?manufacturerItems=1&amp;search=MassHunter+Qualitative+Analysis+software">MassHunter Qualitative Analysis software</a>, version B.12, and Agilent <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?manufacturerItems=1&amp;search=MassHunter+Quantitative+Analysis+software">MassHunter Quantitative Analysis software</a>, version B.12.<h4>Results and discussion&nbsp;</h4>Figure 2 shows the chromatograms of quantifier MRM transitions for the eight antifungal agents at the lowest calibration level. Six out of eight antifungal agents had good chromatographic separation across the run time. The retention times of two antifungals, posaconazole and hydroxy-itraconazole, were slightly overlapped. Despite this overlap, measurement integrity can still be maintained due to MRM selectivity.<h4>Conclusion&nbsp;</h4>A fast and sensitive analysis of eight antifungal agents in serum was validated on an Agilent 6475 triple quadrupole LC/MS. By employing a ready-to-use RECIPE ClinMass TDM kit, this method demonstrates accurate and precise quantitation of antifungal agents in biological samples. Additionally, the streamlined sample preparation method allows high throughput analysis of up to 350 samples per day.<h3>2. Shimadzu / ASMS: Robustness Evaluation of PFAS Analysis in Soil Using LC-MS/MS</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ASMS_25_WP_137_e932b391c7.pdf">Full PDF for download</a></li></ul>Per- and polyfluoroalkyl substances (PFAS) are widely used in various fields and industries. However, due to their structural stability and resistance to degradation, they accumulate in the environment and are suspected of being harmful to humans. PFAS in soil can accumulate in the human body via agricultural products, thus it is essential to develop sensitive and robust analytical methods for the detection of PFAS in soil with complex matrices.1 This study shows a robustness evaluation by adding 30 PFAS to a soil matrix and using the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?manufacturerItems=3&amp;search=LCMS-8060RX">LCMS-8060RX</a> to measure these PFAS in the soil matrix 500 consecutive times.<h4>Methods&nbsp;</h4>For this analysis, LC-MS/MS equipped with a newly designed ESI source was used, and a delay column was installed between the mixer and the autosampler to inhibit the effects of PFAS contamination from the LC system. Six points calibration curves were built, and each calibration point was measured 3 times. A soil sample was prepared referring to part of the soil preparation procedures published by the National Agricultural and Food Research Organization. 2 Thirty PFAS compounds were spiked to the soil sample at 0.1 μg/L after pretreatment and 500 soil sample analyses were performed for the robustness evaluation. This sample contains more than 90% soil matrix. QC samples were also analyzed after every 20 injections of the soil samples.<h4>Conclusion</h4>The <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?manufacturerItems=3&amp;search=LCMS-8060RX">LCMS-8060RX</a> performed 500 consecutive measurements of 30 PFAS spiked to a soil matrix sample. The results showed good peak area repeatability, good peak shapes, and good recovery. The newly designed ESI source showed excellent robustness, and stable analysis was achieved over a long period, even for samples with complex matrices.<h3>3. Thermo Fisher Scientific / ASMS: Evaluation of a modified Orbitrap Astral Mass Spectrometer for label-free quantitation of proteomic samples</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/PO_439_ms_ASMS_25_Astral_Zoom_LFQ_po439_na_en_c1a0b2a11e.pdf">Full PDF for download</a></li></ul>The demand for high-throughput proteomics analysis of complex samples is continually increasing, focusing on greater analysis depth and improved precision and accuracy in quantitation. Label-free quantitation of very complex proteomic samples poses significant challenges for mass spectrometers, requiring faster and more efficient processing of eluting peptide ions and their fragments. The new Orbitrap Astral Zoom mass spectrometer addresses these challenges, offering a higher acquisition rate by improved ion optics switching times and faster ion transfer, higher sensitivity due to ion pre-accumulation, and enhanced spectral processing, leading to deeper coverage with higher confidence.<h4>Materials and methods</h4><h5><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/398">Vanquish Neo</a>: Direct injection mode using 25cm x 75 μm ID Aurora Ultimate TS column (IonOpticks)&nbsp;</h5><ul><li>High loads: 37min gradient; 4-45%B and injection-to-injection time 48min (30SPD)&nbsp;</li><li>Low loads: 20min gradient; 1-40%B and injection-to-injection time 28min (50SPD)&nbsp;</li></ul><h5>Mass Spectrometer: <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/836">Orbitrap Astra</a>l and <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1959">Orbitrap Astral Zoom&nbsp;</a></h5><ul><li>Orbitrap (MS1) and Astral (MS2) detectors&nbsp;</li><li>Orbitrap: 240K; m/z range 380-980; AGC 500%; max IT 5ms&nbsp;</li><li>NCE 25; Thermo Scientific FAIMS Pro Duo (low loads): -48V; gas 3.5 L/min</li><li>Astral: DIA; window size depending on loads (in the tables below); m/z 150-2000; AGC 800% (low loads) or 100% (high loads); max IT depending on load; cycle time: 0.6s&nbsp;</li></ul><h5>Data Processing&nbsp;</h5><ul><li>Spectronaut® v19.5 Direct DIA, 6 files (2 x 3 replicates) processed together for each load; all other settings were default&nbsp;</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1782">Thermo Scientific Proteome Discoverer software </a>3.3.0.54, CHIMERYS 4.0.21</li><li>Human, E.coli, and Yeast FASTA (all w/o isoforms) from UniProt; normalization by Human FASTA</li></ul><h4>Results (High Loads)</h4>The new Orbitrap Astral Zoom mass spectrometer takes advantage of ion preaccumulation in the bent trap, increasing the effective MS2 injection time. Its reduced ion transfer overheads result in a higher MS2 acquisition rate of up to 270 scans per second. Additionally, an enhanced spectral processing algorithm was implemented to deconvolute overlapping spectral features in MS2, for better handling spectra with increased spectrum density.&nbsp;Using Orbitrap Astral Zoom MS and Spectronaut® 19.5 software, there was a 12-17% increase in IDs at the precursor level, 10-15% at the peptide level (stripped sequence), and 4-9% at the protein groups level. With Proteome Discoverer software, the gain was 12-19% at the DIA precursor level, 12-17% at the peptide level, and 4-7% at the protein group level. The increase in identifications was primarily observed for low-abundant species. Orbitrap Astral Zoom mass spectrometer also yielded, on average, a 15% higher median number of MS2 data points per peak, while maintaining consistently high quantitation precision and accuracy at the MS2 level.<h4>Conclusions</h4>The novel Orbitrap Astral Zoom mass spectrometer demonstrates improved performance for qualitative and quantitative analysis of complex proteomics samples over a wide range of sample loads spanning four orders of magnitude, from 100 pg to 1µg.<h3>4. Waters Corporation / ASMS: Investigating Fire Fighter and E-waste Handlers Exposure to PFAS Using Liquid Chromatography and Cyclic Ion Mobility Mass Spectrometry</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720008883_21620a6293.pdf">Full PDF for download</a></li></ul>PFAS are persistent environmental pollutants linked to health risks, including cancer. Monitoring their levels in human biofluids provides insight into exposure pathways. However, the analysis of PFAS isomers is technically challenging due to their structural similarity. To overcome this, the study employs LC coupled with cyclic ion mobility mass spectrometry (LC-cIM-MS) using the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/202">Waters SELECT SERIES Cyclic IMS</a>, which adds a new separation dimension for better specificity.<h4>Methods</h4>Serum samples from Ghanaian firefighters and E-waste workers were prepared using solid-phase extraction (SPE) on 96-well µElution plates. A 22-minute reversed-phase LC gradient was used for separation. The Cyclic IMS system, with ion mobility resolution R~65 and 145, enabled non-targeted PFAS analysis, including the generation of collision cross section (CCS) values to support compound identification.<h4>Results</h4><ul><li>PFAS compounds such as PFOS, PFHxS, PFHpS, PFNA, and 6:2 FTS were identified in real serum samples.</li><li>The cyclic IMS allowed for the separation of coeluting isobaric compounds, such as PFOS isomers and cholic acid biomarkers, minimizing false identifications (Figure 3).</li><li>Figure 4 lists CCS values and other parameters for PFAS standards and identified analytes from a firefighter serum sample.</li><li>Figure 5 shows ion mobility conformeric profiles for PFNA, enabling reliable identification even at low signal intensities.</li></ul><h4>Conclusion</h4>The LC-cIM-MS method:<ul><li>Significantly improves specificity in PFAS identification.</li><li>Enables both targeted and untargeted detection of known and unknown PFAS in complex human samples.</li><li>Can be a key part of future occupational and environmental exposure assessments.</li></ul>

News from LabRulezLCMS Library - Week 28, 2025

Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 21st July 2025? Check out new documents from the field of liquid phase, especially HPLC and LC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT LCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">LabRulezGCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you posters by Agilent Technologies / ASMS, Shimadzu / ASMS, Thermo Fisher Scientific / ASMS, Waters Corporation / ASMS and application note by Metrohm!<h3>1. Agilent Technologies / ASMS: De Novo PFAS Annotation and Classification Using Highly Accurate Formula Prediction and Kaufmann Algorithms Embedded in FluoroMatchSuite</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ps_fluoromatch_de_novo_pfas_annotation_asms_2025_wp_113_en_agilent_4190191ba4.pdf">Full PDF for download</a></li></ul><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=FluoroMatch+Suite">FluoroMatch Suite </a>MS1 Only Algorithms: FluoroMatch Suite covers the entire non-targeted PFAS workflow (Figure 1) using MS/MS algorithms and the largest fragmentation database to date providing a &lt;5% false positive rate. However, MS/MS coverage is often incomplete, and DIA methods often provide lower quality spectra after deconvolution. Therefore, we developed MS1 only algorithms for providing highly accurate formula predictions (Figure 2) and for classifying features as PFAS or not PFAS using Kaufmann analysis (Figure 3)&nbsp;Validation: Algorithms were validated on NIST A and NIST C samples from the NIST PFAS interlaboratory study. NIST A consisted of known PFAS chemical standards, and NIST C consisted of an aqueous fire fighting foam (AFFF) contaminated soil sample. Formula prediction with homologous series voting (taking the most common repeating formula) was extremely accurate for both samples with a 0% false positive rate, and without homologous series voting the false positive rate was between 17-26% (Table 1). Kaufmann Analysis was highly specific for classifying PFAS with only 4% of non-PFAS being classified as PFAS with our Kaufmann based model, and only 6% of PFAS not be classified as PFAS according to our model for NIST C (Table 2).<h3>2. Metrohm: Detection of heavy metals with differential pulse voltammetry</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_sens_002_download_aa3cc76472.pdf">Full PDF for download</a></li></ul>DPV, alongside square wave voltammetry (SWV), already discussed in <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_sens_001_download_6ed955a5ff.pdf">AN-SENS-001</a>, is another example of a pulsed voltammetric technique. DPV was actually developed first and is often linked to the field of polarography. This pulsed voltammetric technique is typically used with a dropping mercury electrode, although the general principle can be applied to static electrodes as well. In the case of DPV, a short pulse with constant height is superimposed at the end of every step of a staircase linear sweep voltammetry (LSV) determination (Figure 1). During the experiment, the current is sampled at two points: before (i1 ) and after (i2 ) the pulse. The difference (i1 -i2 ) vs. the potential is the signal which is plotted in DPV. Sometimes i1 is referred to as the base current and i2 as the pulse current. Figure 1. Typical DPV waveform for the forward direction (e.g., from 0 to 1 V).&nbsp;Like SWV, this approach allows the separation of faradaic and capacitive current, boosting the sensitivity of the technique compared to normal staircase voltammetry. In <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=220&amp;search=INTELLO">INTELLO</a>, the i1 and i2 signals can optionally be sampled in the signals tab of the DPV command. In NOVA, custom plots of either signal can be produced in the same tab. The waveform is characterized by the height of the pulse (ΔE) and the step height (ΔEs ). The scan rate is determined only by step height and step duration of the underlying LSV. The pulse duration should not be set longer than the step duration in order to avoid artifacts, with typical values for the step being around 100–500 ms, and around 50 ms for the pulse. In comparison to SWV, DPV is considered less applicable to a wider range of systems due to the interference of oxygen and the slower scan rates required for DPV. In some cases it can produce better separation of closely positioned peaks and sharper peaks in general. The following is an example of a typical DPV measurement made with a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=220&amp;search=PGSTAT302N">PGSTAT302N</a> and the Metrohm 663 VA stand, with the same measurement also possible with the next-generation <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=220&amp;search=VIONIC">VIONIC </a>powered by INTELLO.<h4>SAMPLE AND EXPERIMENTAL DETAILS&nbsp;</h4>A PGSTAT302N equipped with a Metrohm 663 VA stand (2.663.0020) was used for this study. The working electrode (WE) was a Multi-Mode Electrode pro (6.1246.120) in the hanging dropping mercury electrode (HDME) configuration. The reference electrode (RE) was a double junction Ag/AgCl reference electrode (6.0728.120). All potential values mentioned in this Application Note are referred to the potential of this electrode. The electrolyte was composed of 10 mL H2 O + 0.5 mL of acetate buffer, made of 1 mol/L ammonium acetate + 1 mol/L acetic acid.&nbsp;The concentration of heavy metal ions was quantified by making two standard additions. For the first addition, the solution was composed as follows: 10 mL H2 O, 500 μL acetate buffer, 100 μL Pb standard solution (1 mg/L), and 100 μL Cd standard solution (1 mg/L). For the second addition, the solution was composed as follows: 10 mL H2 O, 500 μL acetate buffer, 200 μL Pb standard solution (1 mg/L), and 200 μL Cd standard solution (1 mg/L).&nbsp;Each measurement consisted of a step to precondition the Hg electrode, where nitrogen was purged in the stirring solution and a new Hg drop was formed. Then, a reduction potential of -0.9 V was applied at the Hg drop in order to reduce the Pb and Cd cations at the Hg drop surface under stirring conditions and accumulate them at the Hg drop. The stirrer was then switched off and the DPV measurement was performed by oxidizing the previously accumulated Pb and Cd in a positive potential sweep from -0.9 to -0.2 V. The DPV measurement was repeated twice.&nbsp;The peak heights were determined from the current vs. potential plot of the three experimental iterations (i.e., sample, sample with first standard addition, and sample with second standard addition). Peak height vs. analyte concentration plots were created for both Pb and Cd. The analyte concentration in the sample can be calculated from the intersection of the regression line with the x-axis.<h3>3. Shimadzu / ASMS: EPA 533 and 537.1 with the Novel LCMS-8050RX: Demonstration of Instrument and Method Performance to meet PFAS regulatory levels&nbsp;</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ASMS_25_TP_270_ebf0e2c9b0.pdf">Full PDF for download</a></li></ul>The harmful impacts of per- and polyfluorinated alkyl substances (PFAS) continue to afflict the environment. Water utilities require sensitive and robust analytical methods to assess the current and ongoing burden of PFAS from source waters to meet regulatory demands in treated water and to protect public health. Improvements in sensitivity and/or runtime without sacrificing robustness can aid laboratories by increasing sample throughput to better meet the significant demand for PFAS sample analysis. The novel RX probe was developed to yield better heat distribution and more consistent nebulization to improve sensitivity and reproducibility. Chromatographic improvements compared to existing EPA methods were also performed to decrease runtime while maintaining the integrity of sample analysis.<h4>Methods</h4>PFAS were separated by a Nexera LC and quantified by a Shimadzu <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=1&amp;search=LCMS-8050RX">LCMS-8050RX</a> for EPA methods 533 and 537.1 (EPAM533 and EPAM537.1). Neat standards were analyzed in the required composition (i.e., 80% methanol for EPAM533 and 96% methanol for EPAM537.1). Standards were analyzed twenty times to determine the instrument detection limits.<h4>Results and Conclusion</h4><ul><li>All PFAS were sufficiently analyzed by the respective methods and passed regulatory criteria at a reduced runtime (19 minutes shorter).</li><li>Superb precision and reproducibility were demonstrated with the RX probe, which resulted in an analytical blueprint that greatly exceeds the Final PFAS National Primary Drinking Water Regulation promulgated in 2024.</li></ul><h3>4. Thermo Fisher Scientific / ASMS: Comprehensive and high-throughput plasma proteome profiling for biomarker discovery using the Orbitrap Astral Zoom Mass Spectrometer and the Seer Proteograph ONE workflow</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_381_plasma_proteome_profiling_biomarker_discovery_po381_asms2025_en_074e0d2a50.pdf">Full PDF for download</a></li></ul>Plasma proteomics, the study of proteins in blood plasma, is crucial for biomarker discovery and understanding global signaling and immune responses1, aiding disease diagnosis, monitoring, and personalized medicine. However, the plasma proteome's complexity and dynamic range—spanning up to 12 orders of magnitude²—pose challenges, especially for detecting low-abundance proteins. Additionally, preanalytical, analytical, and biological variables complicate reliable biomarker identification, necessitating optimized techniques³. Liquid chromatography-mass spectrometry (LC-MS) excels in plasma proteomics due to its high analytical dynamic range and capability to measure peptides and characterize posttranslational modifications (PTMs). Advances in sample preparation, separation, MS, and data analysis are improving method sensitivity and robustness. We demonstrate the Thermo ScientificTM OrbitrapTM AstralTM Zoom Mass Spectrometer's high sensitivity and reproducibility in detecting a comprehensive plasma proteome across neat, depleted, and plasma processed with the Seer® Proteograph® ONE workflow, facilitating potential biomarker discovery¹.<h4>Experimental Procedure</h4><h5>Liquid chromatography-mass spectrometry &amp; data analysis</h5>All LC-MS runs for neat, depleted, and Proteograph ONE processed peptides were separated and analyzed using a Thermo Scientific <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/398">Vanquish Neo UHPLC</a> System in trap and elute configuration, paired with an <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1959">Orbitrap Astral Zoom Mass Spectrometer</a>. Peptides were separated on the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/398">Vanquish Neo UHPLC</a> System using Thermo Scientific EASY-Spray PepMap analytical columns (ES906, 2µm C18, 150µm × 15 cm for 100 and 60 SPD and ES75500PN 2µm C18, 75µm × 50 cm for 24SPD) and 12.6-, 22.35-, and 54-minute chromatographic gradients, respectively, were formed using 0.1% formic acid in water for mobile phase A and 0.1% formic acid in 80% acetonitrile for mobile phase B. Samples were injected with 2 loading mass amounts (200/500 ng for 100/60 SPD; 500/1250 ng for 24 SPD) in triplicate. Liquid chromatography parameters are shown below in Table 1A. Mass spectrometer scan parameters can be found below in Table 1B. All data was processed using the Proteograph® Analysis Suite (PAS) (Seer). Output files were imported to Rstudio (2023.09.0 Build 463) with R (v4.3.1) for downstream data analysis and visualization.<h4>Conclusions&nbsp;</h4><ul><li>With the Orbitrap Astral Zoom Mass Spectrometer, neat plasma proteome coverage exceeds 1,000 protein groups in a single pooled sample, providing exceptional quantitative precision without additional sample handling steps.&nbsp;</li><li>High Select Top 14 abundant protein depletion enhances plasma proteome depth by ~2x across 100, 60, and 24 SPD throughputs with comparable or superior analytical measurement precision.&nbsp;</li><li>Seer Proteograph ONE enhances plasma proteome depth by 7.9x (100SPD), 6.9x (60SPD), and 6.2x (24SPD) with comparable or superior analytical measurement precision and no compromise on sample preparation throughput.&nbsp;</li><li>The combination of the Orbitrap Astral Zoom Mass Spectrometer and the Proteograph ONE Workflow allows for over 7,000 protein groups to be identified from a single injection.&nbsp;</li><li>The speed, sensitivity, and robustness of the Orbitrap Astral Zoom Mass Spectrometer enables in-depth biological discovery, paving the way for novel findings and advancements in clinical cohort and population-scale translational research.</li></ul><h3>5. Waters Corporation / ASMS: PFASt and Furious: A Targeted and Non-Targeted LC-MS/MS Study on the Environmental Impact of Using Fluorinated Ski Waxes&nbsp;</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720008880_8590308c24.pdf">Full PDF for download</a></li></ul>This study by Waters Corporation explores the environmental impact of fluorinated ski waxes—specifically per- and polyfluoroalkyl substances (PFAS)—on soil and water quality at competitive ski sites in New England. Using both targeted LC-MS/MS and non-targeted high-resolution mass spectrometry, the research team analyzed samples from slalom and cross-country racing courses to determine the extent of PFAS contamination.PFAS were found in all collected samples, with soil showing significantly higher concentrations than water. Long-chain perfluorocarboxylic acids, commonly used in ski waxes, dominated the contaminant profile. At slalom courses, the highest concentrations were found at the wax application zones near the start line, decreasing progressively downhill. At cross-country sites, similar patterns emerged near waxing and testing areas, with alarming migration of PFAS into adjacent ponds and even a vegetable garden.The study employed automated sample preparation systems (CEM EDGE and Promochrom SPE-03) to ensure efficiency and reproducibility. Advanced LC-MS/MS analysis with Waters’ <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/191">ACQUITY Premier </a>and <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/554">Xevo TQ Absolute</a> platforms enabled the detection of common PFAS, while cyclic ion mobility HRMS revealed additional, untargeted long-chain species (e.g., C15/C16 carboxylic acids) not typically included in regulatory workflows.The findings highlight the long-term environmental risks posed by legacy ski wax formulations and underscore the need for continued monitoring. Notably, unexpected PFOS levels in garden soil suggest multiple PFAS sources may be contributing to contamination, warranting further investigation.

News from LabRulezLCMS Library - Week 30, 2025

News from LabRulezLCMS Library - Week 31, 2025

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News from LabRulezLCMS Library - Week 31, 2025

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