<h3>Too much interfering matrix? Discover how to streamline your daily LC-MS analysis with turbulent flow chromatography.</h3>Sample preparation is a critical step in liquid chromatography-mass spectrometry (LC-MS) analysis to achieve quantitative accuracy and precision. Directly injecting crude samples into your instrument without prior cleanup to remove interfering compounds can clog the flow path, damage your detector, and negatively impact your analyses through a “matrix effect.”<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Automated_LC_MS_Sample_Cleanup_Using_Turbulent_Flow_Chromatography_c7647c2c50.jpg" alt="Thermo Fisher Scientific: Automated LC-MS Sample Cleanup Using Turbulent Flow Chromatography." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Automated_LC_MS_Sample_Cleanup_Using_Turbulent_Flow_Chromatography_c7647c2c50.jpg 245w," sizes="100vw" width="1024" height="512">Common approaches to clean up samples and suppress the matrix effect include simple dilution and centrifugation to extensive extraction techniques. The common scope of all these procedures is to minimize the possible contamination of your LC-MS system but, more importantly, to reduce to a minimum the interference of unrelated sample components on the detection and quantification of your analytes of interest.A point to note is the preparation method you choose often depends on the complexity of your sample. For instance, samples for clinical research applications or toxicology tend to have high levels of interfering matrix and require a more sophisticated clean-up approach.&nbsp; Let’s dive into what a matrix effect is, the impacts on your LC-MS data, and an effective method called turbulent flow chromatography you can use to clean complex samples.1<h3 id="h-what-exactly-is-matrix-effect">What exactly is matrix effect?</h3>Any chemical entity in your sample capable of coeluting or interacting with analytes of interest can generate matrix effect, ultimately impacting the integrity of your data.Interfering matrix compounds come from endogenous and exogenous sources, but biological samples like blood or serum, and food and environmental extracts inherently have higher levels of interfering compounds.Some examples of interfering matrix compounds include ion-suppressing salts, proteins, lipids, compounds capable of ion-pairing interactions, and polymers.<h3 id="h-how-does-matrix-effect-impact-your-lc-ms-data">How does matrix effect impact your LC-MS data?</h3>Because matrix compounds interfere with the detection and quantitation of your target analytes, the effects ultimately lead to an under- or overestimation in analyte quantification.In the case of LC-MS, the matrix effect triggers ion suppression2, which happens when compounds from the sample matrix inhibit charge transfer from the ion source to your target analytes – a prime example is electrospray ionization, where the detection relies on efficient charge transfer to analytes.Analytes and matrix components will naturally compete for the available charge from the MS ion source. And when compounds of your sample matrix are present in higher concentrations than your analytes, these unwanted molecules can capture more of the charge, leaving fewer ions available for charge transfer to your analytes.Hence suppression of charge transfer to your analytes leads to poor accuracy and limits of detection and quantitation.<h3 id="h-sample-preparation-methods-to-remove-interfering-matrix">Sample preparation methods to remove interfering matrix</h3>Using the example of ion suppression, you can see how eliminating the competition for charge transfer between matrix components and analytes through proper sample cleaning is essential to developing a method with quantitative accuracy.Solid-Phase Extraction (SPE) and Liquid-Liquid Extraction (LLE) are techniques used to clean samples before LC-MS analysis. 3,4<ul><li>In SPE, a liquid sample is loaded onto a column packed with a solid adsorbent material. The analytes of interest are retained on the adsorbent material while unwanted matrix components are washed away. The retained analytes are then eluted using a solvent. This approach is typically developed on a specific panel of target analytes.</li><li>LLE is based on the differential solubility of analytes between two immiscible solvents; once a partition equilibrium is reached, the enriched solvent is separated and, usually, evaporated to dryness and reconstituted in a solvent compatible with LC-MS.</li></ul>Regardless of the <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/content/lifetech/global/en/home/industrial/chromatography/chromatography-learning-center/chromatography-consumables/sample-prep.html">sample preparation</a> approach you decide to use, these manual procedures are imprecise, time-consuming, and labor-intensive—even a quick and easy cleanup is subject to human errors like improper pipetting or sample mix-up.<h3 id="h-automated-online-sample-cleanup-for-efficient-sample-preparations">Automated online sample cleanup for efficient sample preparations</h3>To overcome the bottlenecks and risks of manual approaches, automated sample cleanup is gaining popularity, thanks to much less human intervention combined with better speed and analytical reproducibility.Online SPE&nbsp;is an improvement over manual ones, where the extraction process integrates directly with your LC system. The sample is automatically injected onto an extraction cartridge, cleanup occurs, and your extracted sample transfers directly to the MS instrument (flow injection analysis) or to an analytical column for further separation and detection.Turbulent flow chromatography (TurboFlow) is a more advanced online sample cleanup approach combining the aspects of the chemical affinity of SPE with size exclusion chromatography (SEC).5<h3 id="h-how-does-turbulent-flow-chromatography-work">How does turbulent flow chromatography work?</h3>TurboFlow separates low molecular weight molecules from high molecular weight matrix components using a specialized sample extraction column on LC systems (Figure 2).Here’s a detailed look at how TurboFlow works:<ol><li>Your sample is directly injected into a <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/order/catalog/product/CH-952434">TurboFlow column</a> (typically large &gt; 50 µm particle size with macropores).</li><li>The sample flows through the column at high linear velocities, creating turbulence to enhance the interaction between the sample components and the stationary phase.</li><li>Low molecular weight molecules diffuse into the pores faster than high molecular weight components and quickly flush to waste. Only the small molecules with an affinity for the particle chemistry bind to the internal pore surfaces.</li><li>A change in mobile phase composition elutes the small molecules bound by the TurboFlow column for further separation and detection.</li></ol><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Automated_LC_MS_Sample_Cleanup_Using_Turbulent_Flow_Chromatography_3_a261253a52.jpeg" alt="Thermo Fisher Scientific: Figure 1. Illustration showing how turbulent flow chromatography works." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Automated_LC_MS_Sample_Cleanup_Using_Turbulent_Flow_Chromatography_3_a261253a52.jpeg 245w," sizes="100vw" width="1024" height="512"><h3 id="h-benefits-of-turbulent-flow-chromatography-for-sample-preparation-over-spe">Benefits of turbulent flow chromatography for sample preparation over SPE</h3>While both TurboFlow and online SPE streamline and automate the sample preparation process, TurboFlow has key differences and advantages to consider (Figure 2).<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Automated_LC_MS_Sample_Cleanup_Using_Turbulent_Flow_Chromatography_4_221b9dda9b.jpg" alt="Thermo Fisher Scientific: Figure 2. TurboFlow vs. SPE for sample cleanup." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Automated_LC_MS_Sample_Cleanup_Using_Turbulent_Flow_Chromatography_4_221b9dda9b.jpg 245w," sizes="100vw" width="700" height="410"><ol><li>TurboFlow provides a cleaner sample compared to SPE<ul><li>The more efficient dual mode of action (chemical affinity plus SEC)</li><li>The elution performed by a strong solvent plug potentially reduces the transfer of residual matrix components to your MS</li></ul></li><li>A cleaner sample means<ul><li>Reduced ion suppression, leading to increased sensitivity</li><li>Less mass spectrometer contamination</li><li>Extended analytical column lifespan</li><li>Faster analytical gradients</li></ul></li></ol>Moreover, the opportunity to modulate the strength of the mobile phase reaching the analytical column allows for better analyte focusing on the head of the column, significantly improving your chromatography.<h3 id="h-streamline-your-daily-lc-ms-analysis-with-turboflow-technology">Streamline your daily LC-MS analysis with TurboFlow technology</h3><div style="grid-template-columns:auto 60%;"><div>Automated sample cleanup using <a target="_blank" rel="noreferrer noopener" aria-label="online TurboFlow technology - open in a new tab" data-uw-rm-ext-link="" uw-rm-external-link-id="https://assets.thermofisher.com/tfs-assets/cmd/brochures/br-74120-lc-ms-transcend-uhplc-systems-br74120-en.pdf$onlineturboflowtechnology"><a target="_blank" rel="noopener noreferrer" href="https://assets.thermofisher.com/TFS-Assets/CMD/brochures/br-74120-lc-ms-transcend-uhplc-systems-br74120-en.pdf">online TurboFlow technology</a></a> is a rapid and efficient sample preparation approach that considerably improves method accuracy, reliability, and sensitivity. Adopting this technology can even enhance the competitiveness of your laboratory by allowing faster results, lower costs per sample, and improved reproducibility and MS sensitivity.<figure class="image"><img style="aspect-ratio:700/410;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Automated_LC_MS_Sample_Cleanup_Using_Turbulent_Flow_Chromatography_2_0a20492c6a.jpg" alt="Thermo Fisher Scientific: Figure 3. Transcend TLX TurboFlow UHPLC System." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Automated_LC_MS_Sample_Cleanup_Using_Turbulent_Flow_Chromatography_2_0a20492c6a.jpg 245w," sizes="100vw" width="700" height="410"></figure><blockquote><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/content/lifetech/global/en/home/industrial/chromatography/liquid-chromatography-lc/hplc-uhplc-systems/transcend-turboflow-tlx-systems.html">Learn how TurboFlow can ease your lab’s daily LC-MS analysis of complex matrices today</a>.</blockquote><article aria-label="Automated LC-MS Sample Cleanup Using Turbulent Flow Chromatography"><div><blockquote>Visit us on <a target="_blank" rel="noreferrer noopener" aria-label="LinkedIn: - open in a new tab" data-uw-rm-ext-link="" uw-rm-external-link-id="https://www.linkedin.com/showcase/72003132/admin/dashboard/$linkedin:"><a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/72003132/admin/dashboard/">LinkedIn:</a></a> #TurbulentflowChromatography #lcms #IonSuppression</blockquote></div></article><section><blockquote><h4>Dan Kalu Appulage</h4>Dr. Dan Kalu Appulage is a Product Management Specialist in the HPCS business unit at Thermo Fisher Scientific. He holds a Ph.D. in Analytical Chemistry, an M.A., and B.S. in Chemistry. His professional background includes expertise in product management, LCMS method development, and teaching. Dan is passionate about education and loves sharing his knowledge and experiences with others. Outside of work, Dan enjoys playing volleyball and traveling with his family.</blockquote></section></div></div>

Automated LC-MS Sample Cleanup Using Turbulent Flow Chromatography

<h3>Part 4: Going beyond 4D to improve analytical performance for targeted quantitative analysis</h3>This is the fourth in a multi-part blog series highlighting the key attributes and impressive benefits of the Thermo Scientific Stellar mass spectrometer—the first-of-its-kind instrument designed and optimized for highly multiplexed targeted quantitation, ideally suited for discovery verification. By delivering robust analytical methods and dramatically improved turnaround time, this solution helps labs boost capacity and differentiate themselves to generate more revenue. For additional background, see blog <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/article/5077">Part 1</a>, <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/article/5086">Part 2 </a>and <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/article/5416">Part 3</a> here and stay tuned for more blogs on our website.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Why_You_Need_a_Verification_Class_Mass_Spectrometer_Going_Beyond_4d_to_Improve_Analytical_Performance_for_Targeted_Quantitative_Analysis_125258804e.jpg" alt="Thermo Fisher Scientific: Why You Need a Verification-Class Mass Spectrometer: Going Beyond 4d to Improve Analytical Performance for Targeted Quantitative Analysis." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Why_You_Need_a_Verification_Class_Mass_Spectrometer_Going_Beyond_4d_to_Improve_Analytical_Performance_for_Targeted_Quantitative_Analysis_125258804e.jpg 245w," sizes="100vw" width="1200" height="600">Analytical specificity is one of the most critical requirements for successful targeted quantitative analysis. Assigning measured data to diagnostic product ions from the analyte of interest increases the confidence in resulting measurement determining the analyte expression level, copy number, or absolute amount in each sample, as well as across an entire study. Using empirically determined values for liquid chromatography (LC) and mass spectrometry (MS) provides specific information that collectively increases data processing. This orthogonal information comes in the form of 1) chromatographic retention times and peak shapes; 2) precursor m/z value; 3) MS/MS product ions; and 4) MS/MS product ion distribution profiles, which can be stored to form spectral libraries that are used to not only process LC-MSn data but build confident targeted data acquisition methods.<h3>4D parameter determination: Sufficient or not?</h3>Previous publications touted utilization of four-dimensional (4D) parameter determination to confidently create and process untargeted and targeted data. Using LC coupled to a trapped ion mobility QTOF (timsTOF) mass spectrometer, each analyte is annotated by four empirical measurements across all study samples: 1) measured retention time; 2) ion mobility as measured by its collision cross section (CCS); 3) precursor m/z value; and 4) presence of corresponding product ions. The assumption is that the orthogonal selectivity achieved by UHPLC separation and ion mobility resolution relative to the precursor isolation is sufficient to differentiate a specific analyte from co-eluting isobaric and isomeric ions and that resulting product ions are only attributed to the isolated precursor. <a target="_blank" rel="noopener noreferrer" href="https://arxiv.org/pdf/2111.03134">Adding CCS values can help accommodate for some variability</a> but requires more work by the researcher to accurately determine the variance associated with ion mobility. <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/1885960_lcms_179_lipidomics_short_gradient_ebook_rev_01_ed630faf92/1885960-lcms-179-lipidomics-short-gradient-ebook-rev-01.pdf">At no point are the product ion ratios used as an additional dimension for verification</a>.A smart addition: product ion ratio determination Product ion ratio determination, however, has been used as the gold standard for qualitative data analysis for SRM/MRM acquisition for decades. Despite quantitative methods on triple quadrupole mass spectrometers acquiring data for only two or three product ion transitions, the inclusion of the resulting product ion ratio is used to qualitatively verify that the signal measured per SRM transition is attributed to the analyte of interest. This concept has been included in the targeted quantitative studies performed using the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1149">Thermo Scientific Stellar mass spectrometer (MS)</a>, significantly increasing analytical performance for a wide range of molecules.To increase the quantitative selectivity and specificity needed for confident data acquisition, the proposed solution combines the chromatographic separation capabilities of the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products?category=40&amp;search=vanquish">Thermo Scientific Vanquish UHPLC system </a>with the innovative PRM acquisition on the Stellar mass spectrometer to go beyond data processing confidence.&nbsp; Additionally, the proposed method leverages intelligent data acquisition to perform RT alignment reducing the need to apply additional post-acquisition data processing steps.&nbsp; This blog covers the differentiation for each of these steps while presenting an important 5th dimension—extending PRM data analysis to the MS3 level.<h3>Dimension #1: Leveraging 1,500 bar UHPLC separation to drive orthogonal selectivity</h3>Using the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/398">Thermo Scientific Vanquish Neo</a> and <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/744">Horizon UHPLC</a> systems, researchers can harness higher backpressure capabilities covering a wide range of flow rates from nanoflow to analytical flow rates—increasing peak capacity while driving higher utilization rates than HPLC systems with only 1,000 bar of backpressure. T<a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products?category=40&amp;search=vanquish">he Vanquish UHPLC systems</a> also deliver reproducible performance over the course of longer studies such as populational health.Going beyond the first dimension: Including the Adaptive RT routine enables LC mapping to assign true retention time values to each analyte with narrower retention time windows. The Adaptive RT routine works for small and large molecules, from single-cell to bulk analysis, and bridges method development between longer discovery gradients and faster targeted quantitation gradients without the need for spiked RT standards.&nbsp; The advantage is that the retention time alignment for the study is reliably performed during data acquisition, not processing.<h3>Dimension #2: Introduction of targeted analytes</h3>Following UHPLC separation and ionization, targeted analytes (precursors) are introduced into the MS and moved through the ion flight path to the detector. The quadrupole mass filter (termed isolating quadrupole or Q1) has an RF/DC offset to transmit a narrow m/z range centered on the target precursor m/z value. The mass range used for precursor ion filtering is ca. 1 to 2 Th depending on the mass spectrometer. Leveraging precursor isolation following chromatographic separation increases the target analyte selectivity relative to co-eluting compounds.Going beyond the second dimension: The Stellar mass spectrometer’s QR5 Plus quadrupole mass filter uses hyperbolic-surfaced quadrupole rods that improve ion transmission efficiency across a wider precursor m/z range. Unit resolution settings are 0.7 Th at the baseline—significantly better than other quadrupole mass spectrometers using 1.2 to 2 Th (almost 2-3x wider), which can compromise quantitative performance.<h3>Dimension #3: Acquiring PRM data from more product ions</h3>The<a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1149"> Stellar mass spectrometer </a>acquires PRM data which is comprised of full scan MS2 spectra per scan event relative to SRM/MRM acquisition. Acquiring data for many more product ions per unit time increases the specificity of the resulting measurement. It also enables post-acquisition data processing methods to determine specific product ions used for quantitation without having to update the experimental method and re-analyze samples.Going beyond the third dimension:&nbsp; The Stellar mass spectrometer combines the unique capabilities of dual ion packet management with ion accumulation outside of the ion trap to boost quantitative performance.&nbsp; Simultaneously managing two different ion packets enables longer accumulation times without significantly compromising the PRM acquisition rates which becomes imperative when performing quantitative measurements at the LOD and LOQ levels.<h3>Dimension #4: Leveraging the full scan MS2 spectrum and multiple product ions to evaluate the product ion ratios compared to a reference spectrum</h3>As mentioned above, ion ratio calculations are used in validated quantitative methods to ensure selectivity relative to the matrix or background interference per product ion.Going beyond the fourth dimension: What, where and how you perform ion accumulation differentiates the effectiveness of each mass spectrometer. The Stellar MS first filters for the targeted precursor m/z value, then accumulates product ions in an ion-routing multipole (as has been done on Thermo Scientific Orbitrap mass spectrometers for over a decade).&nbsp; Performing tandem MS in this order maximizes sensitivity for low-level product ions to maintain accurate ion ratio analysis. Finally, incorporating dynamic AGC automates the accumulation time regardless of precursor ion flux. (Reference: <a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1101/2024.06.04.597431">Plubell et al. BioRxiv</a>)<h3>Dimension #5: Addressing sensitivity disrupters</h3>Targeted quantitation for specific analytes using MS2 acquisition may have co-eluting isomeric/isobaric ions potentially disrupting quantitative sensitivity (signal-to-noise limitation).&nbsp; Two options to pursue would be modifying LC gradients or increasing the tandem MS level to MS3. Elongating the LC gradient decreases sample throughput yet still may not remove all background interferences. The Stellar MS, on the other hand, can implement MS3 acquisition with exceptionally fast acquisition speeds (up to 40 Hz) to maintain target capacity and the number of data points per LC peak.Going beyond the fifth dimension:&nbsp;In addition to the unique MS3 acquisition speed, the Stellar MS implements dynamic AGC to maximize spectral quality across a wider dynamic range, as well as the ability to perform either HCD or CID at each MSn level. Finally, introduction of Adaptive RT to confidently manage scheduled retention time windows ensures tMS3 methods can succeed for increased target capacity using faster LC gradients.<blockquote>For more information, explore the <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/content/lifetech/global/en/home/industrial/mass-spectrometry/liquid-chromatography-mass-spectrometry-lc-ms/lc-ms-systems/orbitrap-lc-ms/stellar-mass-spectrometer.html">Stellar mass spectrometer</a> and <a target="_blank" rel="noopener noreferrer" href="https://assets.thermofisher.com/TFS-Assets/CMD/brochures/eb-003672-lsms-stellar-2024-year-in-review-eb003672-na-en.pdf">download our new 2024 year in review ebook</a>.Visit us on <a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/72003132/admin/dashboard/">LinkedIn:</a> #StellarMassSpectrometer #Vanquish #UHPLC</blockquote><section><blockquote><h5>Dr. Scott Peterman</h5><div>Scott Peterman, Ph.D., is Senior Product Marketing Manager for Life Science Mass Spectrometry of the Chromatography and Mass Spectrometry Division of Thermo Fisher Scientific.</div></blockquote></section>

Why You Need a Verification-Class Mass Spectrometer: Going Beyond 4d to Improve Analytical Performance for Targeted Quantitative Analysis

Many elements, such as chromium, zinc or selenium are considered essential micronutrients for humans and are subject to ongoing research. Their concentration in foods can be accurately determined using inductively coupled plasma mass spectrometry (ICP-MS).<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Deciphering_Selenium_Nutrition_Using_Speciation_Analysis_with_ICP_MS_3ecef88508.jpg" alt="Thermo Fisher Scientific: Deciphering Selenium Nutrition Using Speciation Analysis with ICP-MS" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Deciphering_Selenium_Nutrition_Using_Speciation_Analysis_with_ICP_MS_3ecef88508.jpg 245w," sizes="100vw" width="1200" height="600"><article><div>However, beyond the actual levels of an element in a sample, the precise chemical form in which it is present is important. Trace elements may occur in different oxidation states (for example, essential Cr (III) and its carcinogenic counterpart Cr (VI)) or may be found incorporated into organic molecules. This may lead to significantly different results when assessing potential hazards from a sample with respect to toxicity. For example, fruit juices such as apple juice may only contain 10 µg∙L-1 of arsenic, as it is mostly found as inorganic arsenic, whereas fish and seafood can be safely consumed even though they may contain total concentrations 1000-fold higher, as arsenic is commonly found in organic forms. The qualitative and/or quantitative determination of different chemical forms of an analyte in a sample is often referred to as speciation analysis.Prof. Dr. Marc Birringer, Alexander Maxones and Simon Glas from the University of Applied Science in Fulda, Germany, working at the department for nutritional, food and consumer sciences, explore the importance of selenium (Se) in foods, leveraging speciation analysis to assess different selenium species for their bioavailability. “The journey on selenium species started in the 1990s”, says Prof. Birringer, “when people started to understand why selenium is important for biochemistry and nutrition. When we started with ICP-MS as a new technique in our lab, we learned that this technique can really give us a lot of information in single and multi-element analysis, and we planned to perform speciation analysis, too.”Selenium is an essential trace element that is low in abundance in Germany. Important sources for this essential trace element are fish, meat or eggs. Because these foods are not part of a vegetarian’s or vegan’s diet, they are particularly susceptible to the potential risk of malnutrition. Mushrooms, in particular porcini mushroom (boletus edulis), could be an alternative source when meat or fish are not part of the diet based on an individual’s choice. One compound that is particularly abundant is selenoneine, a derivative of ergothioneine, where a selenium atom replaces a sulfur atom.Whereas there are a lot of chromatographic methods established to separate other water-soluble selenium compounds, like inorganic selenium (Se (IV) and Se (VI)), methods allowing separation of organic selenium compounds like selenoneine are more difficult to optimize when ICP-MS is used as an element-specific detection system. Separation based on hydrophilic interaction chromatography (HILIC) typically start with high amounts of organic solvents in the mobile phase, which require the ICP-MS to be equipped accordingly., i.e. oxygen addition to the plasma and platinum tipped cones.<a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/content/lifetech/global/en/home/industrial/chromatography/ion-chromatography-ic.html">Ion chromatography (IC)</a> is well known for its ability to separate charged ions or polarizable species and is often the technique of choice for speciation analysis of elements such as arsenic or selenium. Typical IC systems, such as the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/410">Thermo Scientific Dionex ICS-6000 Ion Chromatography systems,</a> are fully inert and can therefore leverage eluents with very high or low pH values. &nbsp;&nbsp;&nbsp;“We have an ICS-6000 HPIC in the laboratory, but that system is usually blocked for other assays. However, the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products?category=39&amp;search=Vanquish">Thermo Scientific Vanquish HPLC</a> was also compatible with the mobile phase we used, which was at pH 2”, says Prof. Birringer. “This system was used for the separation with a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/2076">Thermo Scientific Dionex IonPac CS12 column</a>.&nbsp; This allowed good separation for the organic compounds containing selenium, even though the separation of the inorganic and ionic species was not ideal under these conditions.”During method development, it was very important to also monitor sulfur, as there is no standard available for selenoneine and instead, the sulfur-containing analog ergothioneine was used. For both elements, the use of a triple quadrupole ICP-MS system such as the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1488">Thermo Scientific iCAP MTX ICP-MS</a> provides significant advantages. Both elements are potentially biased by polyatomic interferences (especially the most abundant isotopes 32S and 80Se), which can be efficiently reduced using oxygen as a reactive gas.“What we found in the boletus edulis was a lot of compounds that we did not know before or could at least not explain as we have no mass spectra to confirm structures, but we do have the ICP-MS data”. They must be present in low concentrations and would likely be found in the noise in a normal LC-MS run states Prof. Birringer.Coupling of the two systems is straightforward. When water-based eluents are applied, the outlet of the column can be directly connected to the nebulizer of the ICP-MS system using narrow bore tubing and a zero dead volume connector. &nbsp;“I´m really comfortable with the system, and I think it gives us a lot of possibilities” says Alexander Maxones. “I would like to explore other column options for future projects, as I think smaller particles would be beneficial for further separation of species”, he adds.For data evaluation, <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/76">Thermo Scientific Chromelon CDS software</a> was used, as it provides more options for peak integration and smoothing of raw data, if needed. The original data collected on the ICP-MS can be directly imported into Chromeleon CDS software.“The methodology developed can now be applied to a wider range of samples. We have found at least five unknown compounds in boletus edulis, but it is clear from the literature that other mushrooms, for example shiitake, can also accumulate some selenium. We are sure they have similar but also different compounds to be investigated”, says Prof. Birringer. Next is additional food matrices, but also human samples.<blockquote><ul><li>For more information, please visit the <a target="_blank" rel="noopener noreferrer" href="https://www.hs-fulda.de/oecotrophologie/labore/analytik">laboratory´s website</a> and <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/content/lifetech/global/en/home/industrial/mass-spectrometry/inductively-coupled-plasma-mass-spectrometry-icp-ms/quadrupole-icp-ms-systems.html"><ins>Quadrupole ICP-MS Systems</ins></a>.</li><li>Visit us on&nbsp;<a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/72003132/admin/dashboard/">LinkedIn:</a>&nbsp;#ICP-MS</li></ul></blockquote></div></article><section><blockquote><h4>Daniel Kutscher</h4>Dr. Daniel Kutscher manages the Application Development for trace elemental analysis and GC/GC-MS products at the Thermo Fisher Scientific Center of Excellence in Mass Spectrometry in Bremen, Germany. After graduation in Chemistry in 2007, Daniel obtained his PhD from the University of Oviedo in 2011. In the same year, he joined Thermo Fisher Scientific and has had different roles in application development and marketing.</blockquote></section>

Deciphering Selenium Nutrition Using Speciation Analysis with ICP-MS

Labs use up to 10 times more energy than offices. Here’s how you can work to help change the trend by lowering your carbon footprint.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_A_Greener_HPLC_Guide_How_ACT_Labels_Help_Promote_Lab_Sustainability_1794553f3a.jpg" alt="Thermo Fisher Scientific: A Greener HPLC Guide - How ACT Labels Help Promote Lab Sustainability" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_A_Greener_HPLC_Guide_How_ACT_Labels_Help_Promote_Lab_Sustainability_1794553f3a.jpg 245w," sizes="100vw" width="1200" height="600">The reality is that labs are a major source of environmental impact.According to the National Renewable Energy Laboratory, the average lab typically consumes 3-10 times more energy than a typical office building!As sustainability becomes increasingly central to institutional goals, the lab environment must evolve to reflect these priorities. But simply recycling lab waste is not enough.Building a sustainable lab requires a holistic approach. A fundamental re-think on how to minimize your environmental impact.From developing waste-reducing methods to prioritizing sustainable procurement, and even new approaches in green chemistry can help lower your lab’s carbon footprint.<h4>The future is regulated, let’s get ahead of the curve</h4>The push for greener methods is more than an internal movement and now driven by a growing number of regulatory bodies.Agencies like the European Medicines Agency (EMA) and the U.S. Environmental Protection Agency (EPA) are increasingly prioritizing environmental risk assessments and green chemistry principles. This shift signals that regulations governing solvent usage, waste disposal, and overall environmental impact are becoming more stringent.And the future of analytical chemistry is one where greener methods may become mandatory by regulators. This potential change makes adopting modern methods and sustainable procurement strategic imperatives for labs seeking to get ahead of the curve.This need for change is particularly relevant for core analytical techniques used in labs every day, such as High-Performance Liquid Chromatography (HPLC), which are significant sources of emissions and waste.<h5>The primary contributors to the environmental impact of HPLC include:</h5><ul><li>Energy consumption of your instrument</li><li>Solvent/chemical usage and toxicity</li><li>Total waste generation volume</li><li>Single use consumables</li></ul>Beyond the daily operation, sustainability also requires us to look upstream at the manufacturing practices that create our lab equipment.<ul><li>Using renewable energy in development and manufacturing</li><li>Percentage of recycled/renewable product packaging</li><li>Longevity, and end-of-life recyclability for products</li></ul><h4>How to make better choices for our planet</h4>The good news is that you (we!) don’t have to wait for change. Every scientist can make a difference today by carefully considering their choices. The shift toward an eco-conscious lab starts with the small decisions you make every day.Here are some key ideas to consider for a more sustainable HPLC workflow:<h5>Adopt modern analytical methods</h5><ul><li>Using <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/cz/en/home/industrial/chromatography/chromatography-learning-center/chromatography-consumables/consumable-types.html">shorter columns with smaller particles</a>, you can often achieve faster results while significantly reducing the volume of solvents and mobile phase required.</li></ul><h5>Avoid using toxic solvents when possible</h5><ul><li>Consider replacing hazardous solvents like acetonitrile with greener alternatives like ethanol. This switch not only improves safety but also reduces the environmental impact of your waste stream.</li></ul><h5>Re-think your detection</h5><ul><li>Omitting the use of derivatization techniques where possible is another way to reduce chemical consumption, as these steps often require toxic reagents and generate more waste.</li></ul><h5>Prioritize sustainable suppliers</h5><ul><li>Just as we analyze our own practices, we must look at our supply chain. Choose companies that prioritize sustainable growth and manufacturing as their practices—from product design to sustainable packaging—directly impact the planet.</li></ul>Ultimately, making these choices requires clear, trustworthy information.This decision making is where ACT labels come in.<h4>What is the ACT label?</h4>To help labs identify sustainable equipment, the non-profit organization <a target="_blank" rel="noopener noreferrer" href="https://mygreenlab.org/programs/act-ecolabel/">My Green Lab</a> developed the <a target="_blank" rel="noopener noreferrer" href="https://mygreenlab.org/programs/act-ecolabel/#act-2-0-features">ACT® Ecolabel</a>. ACT stands for Accountability, Consistency, and Transparency, and serves as a trusted third-party certification that provides clear, comprehensive information about the environmental impact of laboratory products.You can think of the ACT label as a nutrition label for your lab supplies. It provides a score based on a product’s Environmental Impact Factor (EIF) across key categories: Manufacturing, User Impact, and End of Life. The criteria within these categories cover everything from energy and water consumption to sustainable packaging and product longevity.A higher score (Figure 1) indicates a lower environmental impact, making it easy for you to compare products and make purchasing decisions that support your sustainability goals.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Figure_1_Lab_certification_levels_for_ACT_labels_1e1b5be65f.jpg" alt="Thermo Fisher Scientific: Figure 1. Lab certification levels for ACT labels" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Figure_1_Lab_certification_levels_for_ACT_labels_1e1b5be65f.jpg 245w," sizes="100vw" width="700" height="410"><h4>Our commitment to ACT Label 2.0</h4>Energy consumption is one of the largest contributors to the lifecycle carbon emissions of an HPLC or UHPLC instrument, having potentially even a greater contribution than solvent consumption or instrument manufacturing.At Thermo Fisher Scientific, we value the importance of transparency in sustainability and are committed to guiding our customers in making environmentally informed purchasing decisions. To reinforce this commitment, we partnered with My Green Lab to incorporate the new ACT® Ecolabel 2.0 into our product offerings. We’re proud to announce our <a target="_blank" rel="noopener noreferrer" href="https://actdatabase.mygreenlab.org/?manufacturer=6&amp;product_type=29">Thermo Scientific Vanquish HPLC &amp; UHPLC Systems received a Platinum rating</a> (Figure 2)! This rating is the second highest possible certification level, reflecting our dedication to reducing environmental impact across the entire product lifecycle—from design and manufacturing to energy efficiency and end-of-life recyclability.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Figure_2_ACT_Ecolabel_for_Vanquish_Core_Binary_HPLC_System_6c67c2a891.jpg" alt="Thermo Fisher Scientific: Figure 2. ACT Ecolabel for Vanquish Core Binary HPLC System" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Figure_2_ACT_Ecolabel_for_Vanquish_Core_Binary_HPLC_System_6c67c2a891.jpg 245w," sizes="100vw" width="700" height="410"><h4>Our ongoing pledge to sustainability, in and out of the lab</h4>Explore how moving from traditional HPLC to UHPLC methods can increase your lab’s productivity with higher throughput and less solvent.<ul><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/xx_002781_lc_vanquish_method_moderization_guide_tip_sheet_xx002781_en_aca7492d0b.pdf">A Helpful Guide to Modernizing Your Old HPLC Methods</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/in_003058_hplc_vanquish_systems_sanofi_productivity_method_modernization_in003058_na_en_5c74552930.pdf">Infographic: Sanofi – Accelerating your lab operations&nbsp;</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/cs_003059_hplc_vanquish_systems_sanofi_productivity_case_study_cs003059_na_en_25d72a56d5.pdf">Case Study: Transferring methods onto a new UHPLC platform&nbsp;</a></li></ul>Discover how we are innovating with the planet in mind and integrating sustainability into our product development.<ul><li><a target="_blank" rel="noopener noreferrer" href="https://corporate.thermofisher.com/us/en/index/corporate-social-responsibility.html">Our Corporate Social Responsibility page</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/cz/en/home/sustainable-design.html">Greener by Design&nbsp;</a></li></ul><blockquote>Visit us on <a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/chromatography-&amp;-mass-spectrometry/">LinkedIn</a>: #LabOfFuture #LiquidChromatography #ClimateChangeMegan KennyMegan Kenny is a Product Marketing Manager for HPLC products at Thermo Fisher Scientific. She supports creating high-value and compelling content from product tours and configurators to literature and troubleshooting tips. She ensures users have easy access to product content across the Thermo Fisher website. Megan graduated from Drexel University in Philadelphia, PA, in 2013 with her Bachelor's of Science in marketing and has worked in the chromatography and mass spectrometry space since. She is passionate about translating technical information into compelling content.</blockquote>

A Greener HPLC Guide: How ACT Labels Help Promote Lab Sustainability

In today’s forensic and clinical toxicology labs, productivity is more than just speed—it’s about accuracy, flexibility, and the ability to keep pace with an ever-expanding universe of analytes. Whether processing high-throughput urine samples or evaluating oral fluid, labs are under pressure to deliver reliable results faster, with fewer resources, and across a wide range of complex drug panels. Thermo Fisher Scientific is addressing this challenge head-on, delivering complete LC-MS/MS workflows, solution guides, and databases that prioritize throughput and robustness without sacrificing sensitivity or selectivity. Workflows that include over 100 to 2000 drugs allow for single injection assays that mitigate the need to extract and analyze each drug class individually. The fast speed of the mass spectrometers gives users the ability to speed up gradients, leading to shorter run times.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Boosting_Productivity_in_Toxicology_Labs_7d80cfd388.jpg" alt="Thermo Fisher Scientific: Boosting Productivity in Toxicology Labs." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Boosting_Productivity_in_Toxicology_Labs_7d80cfd388.jpg 245w," sizes="100vw" width="1024" height="512"><h3>A unified workflow for broad drug coverage in urine</h3>Urine remains the cornerstone matrix for drug testing, offering a long detection window for many commonly abused substances. However, with over 100 frequently tested drugs and a growing list of synthetic analogs, labs need streamlined methods capable of handling this analytical diversity. A recent method developed by application scientist Courtney Patterson using <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/content/lifetech/global/en/home/industrial/chromatography/chromatography-sample-preparation/sample-preparation-consumables/solid-phase-extraction-consumables/sola-spe-plates-cartridges.html">Thermo Scientific SOLAµ SPE plates</a>, <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products?category=37&amp;manufacturerItems=3&amp;search=vanquish">Thermo Scientific Vanquish UHPLC</a>, and both <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products?category=22&amp;manufacturerItems=3&amp;search=orbitrap">Thermo Scientific HRAM Orbitrap</a> and <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products?category=20&amp;manufacturerItems=3&amp;search=tsq">Thermo Scientific TSQ triple quadrupole</a> mass spectrometry platforms, delivers a compelling solution. This workflow (linked in the resources section below), utilizes both HRAM Orbitrap and triple quadrupole mass spectrometers, quantified 106 drugs—including 15 isomers—across 10 drug classes, including drugs in both positive and negative polarities, in just 7 minutes per sample. Notably, it demonstrated strong chromatographic resolution for challenging isomeric pairs like codeine/hydrocodone and methamphetamine/phentermine. Lower limits of quantitation (LOQs) ranged from 0.1 to 100 ng/mL, meeting stringent ANSI and forensic standards. Wide dynamic ranges, such as 0.5 to 5,000 ng/mL for norbuprenorphine, enabled labs to confidently report both trace and high-concentration results with minimal rework.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Boosting_Productivity_in_Toxicology_Labs_2_0e2f7432b4.jpg" alt="Thermo Fisher Scientific: Boosting Productivity in Toxicology Labs: Figure 1 Extracted ion chromatogram of 106 drugs of abuse in urine from TN002363." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Boosting_Productivity_in_Toxicology_Labs_2_0e2f7432b4.jpg 220w," sizes="100vw" width="672" height="476">What makes this method stand out is its dual-platform compatibility. The same sample preparation and chromatography approach has been validated on both high-resolution Orbitrap and triple quadrupole systems, giving laboratories the freedom to select instrumentation that best aligns with their throughput needs and budget constraints.And speaking of budgets… Be sure to explore our latest promotions, including <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/content/lifetech/global/en/home/o/b/clinical-lcms-discounts.html">complete LC-MS toxicology configurations</a> and <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/content/lifetech/global/en/home/industrial/mass-spectrometry/mass-spectrometer-price-affordability-programs.html">affordability programs</a>. You can aim high without overspending by:<ul><li>Investing in certified refurbished instruments at a fraction of the cost</li><li>Trading in older instruments for credit toward the latest models, regardless of manufacturer</li><li>Taking advantage of flexible leasing and financing options, including 0% interest and deferred payment plans</li></ul><h3>Meeting new demands in oral fluid testing with Stellar MS</h3>As oral fluid gains traction for workplace drug testing, roadside evaluations, and rapid screening, labs face a different set of challenges—chief among them, the need for highly sensitive and selective methods to meet SAMHSA detection thresholds. Patterson’s oral fluid workflow, powered by the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1149">Thermo Scientific Stellar mass spectrometer</a>, addresses these needs with precision in a 5-minute method. Using DPX Technology’s INTip™ SCX/WAX SPE tips for extraction and an<a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/424"> Accucore Biphenyl column</a> for separation, this method quantified 31 drugs—including THC, opioids, stimulants, and cocaine—at LOQs as low as 0.25 ng/mL. The Stellar system’s targeted-MS2 (tMS2) acquisition mode delivered confident identification with full-scan MS2 spectra, resolving issues like matrix suppression common in oral fluid analysis.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Boosting_Productivity_in_Toxicology_Labs_3_146d0fde1c.jpg" alt="Thermo Fisher Scientific: Boosting Productivity in Toxicology Labs: Figure 2 Schematic of XTR tip extraction protocol with mixed mode SCX/WAX chemistry for INTip dispersive solid phase extraction followed by analysis using the Vanquish Horizon UHPLC system and Stellar Mass Spectrometer from TN003851. Artwork provided by DPX Technologies." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Boosting_Productivity_in_Toxicology_Labs_3_146d0fde1c.jpg 245w," sizes="100vw" width="867" height="375">Importantly, the method achieved baseline separation of structural isomers and provided flexibility in fragmentation, using either HCD or CID based on compound-specific needs. Ten real-world case study samples were analyzed successfully, confirming all compounds with robust retention times and fragment ion ratios.<h3>Productivity without compromise</h3>Together, these two workflows—one for urine and one for oral fluid—showcase how Thermo Fisher Scientific is redefining productivity in toxicology. By combining smart sample preparation, fast chromatography, and high-resolution mass spectrometry platforms, these solutions enable:<ul><li>Rapid turnaround times with sub-10-minute methods</li><li>High-confidence results for complex drug panels, including isomers</li><li>Flexible instrumentation to meet the needs of both high-resolution and triple quadrupole users</li><li>Regulatory readiness with LOQs meeting ANSI and SAMHSA guidelines</li></ul>In a world where toxicology labs must do more with less, Thermo Fisher’s comprehensive solutions empower teams to work faster, smarter, and with greater confidence.Learn more about how Thermo Fisher Scientific’s toxicology solutions can help your lab stay ahead: <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/content/lifetech/global/en/home/industrial/forensics/forensic-toxicology.html">Forensic Toxicology</a><h3>Resources</h3><ul><li>Past blogs in this series<ul><li>Sample prep – <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/article/6189">Sample Preparation Strategies Demystified: Choosing the Right Fit for Your Toxicology Workflow</a></li><li>Tox Explorer – <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/article/6587">Beyond Blood: Sheffield Teaching Hospitals NHS Foundation Trust Develops HRAM-Powered Method for Post-Mortem Toxicology Analysis</a></li><li>VeriSpray – <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/article/6860">Advancing Drug Analysis with PaperSpray MS</a></li></ul></li><li>On-demand workshop – <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4735">Next-Generation Workflows for Small Molecule Quantitation Using the Thermo Scientific Stellar Mass Spectrometer</a></li><li>Technical note – <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/paper/32266">Quantitation of an oral fluid drug panel including THC using the new Stellar mass spectrometer</a></li><li>Technical note – <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/paper/32265">Utilizing HRAM Orbitrap mass spectrometry to quantitate 106 drugs of abuse in urine</a></li><li>Technical note – <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/paper/32265">Utilizing triple quadrupole mass spectrometry to quantitate 106 drugs of abuse in urine</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/paper/32265">Drug screening and confirmation workflows</a></li><li>Promotions<ul><li><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/content/lifetech/global/en/home/o/b/clinical-lcms-discounts.html">Save up to 40% on complete LC-MS toxicology configurations</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/content/lifetech/global/en/home/industrial/mass-spectrometry/mass-spectrometer-price-affordability-programs.html">Mass spectrometer affordability programs</a><ul><li>Refurbished MS</li><li>Trade-in</li><li>Financing/ leasing</li></ul></li></ul></li></ul>Visit us on&nbsp;<a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/72003132/admin/dashboard/">LinkedIn:</a>&nbsp;#ForensicToxicology #MassSpectrometry #LabProductivity<blockquote><h5>Ema Ruzic</h5><div>Vertical Marketing Manager, Chromatography and Mass Spectrometry Division (CMD)</div></blockquote>

Boosting Productivity in Toxicology Labs

<h3>Introduction</h3>MOSH and MOAH analysis remains one of the most challenging and closely scrutinized areas in food and packaging safety testing. With evolving regulations, updated standards such as ISO 20122:2024, and increasing expectations for data quality and throughput, laboratories are under constant pressure to deliver accurate, reproducible, and compliant results.To help laboratories navigate this complexity, Thermo Fisher Scientific and SampleQ hosted an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5817">Ask the Experts</a> session focused entirely on MOSH/MOAH analysis using LC-GC-FID and GC×GC-FID/MS workflows. Analytical specialists addressed real-world questions from scientists and lab managers—covering sample preparation, quality control, internal standards, data processing, and system selection.This blog brings together the most important expert insights and practical guidance from that session, providing a valuable reference for anyone responsible for MOSH/MOAH testing.<h3>Why MOSH/MOAH analysis is so challenging</h3>Mineral Oil Saturated Hydrocarbons (MOSH) and Mineral Oil Aromatic Hydrocarbons (MOAH) are complex mixtures rather than single compounds. Their broad carbon number distribution, co-elution with natural matrix components, and sensitivity to sample preparation steps make analysis technically demanding.At the same time, regulatory scrutiny continues to increase, particularly for MOAH due to potential carcinogenicity. Laboratories must therefore balance:<ul><li>Regulatory compliance</li><li>Robust quantification</li><li>Reliable identification of markers</li><li>High sample throughput</li></ul>The Ask the Experts session focused on how modern, integrated workflows can help labs meet all these demands.<h3>Are MOSH/MOAH sample preparation steps matrix dependent?</h3>One of the most common questions from laboratories is whether MOSH/MOAH sample preparation can be standardized across all matrices.The expert answer: it depends on the matrix—and validation is essential.For fats and oils, certain steps are always required:<ul><li>Saponification</li><li>Epoxidation</li></ul>However, alumina (Alox) clean-up is matrix dependent. Practical comparisons show that:<ul><li>Some matrices benefit from Alox clean-up</li><li>Others may suffer from analyte loss if Alox is applied unnecessarily</li></ul>For non-fat matrices, sample preparation must be carefully selected, and method validation is critical to ensure accuracy and recovery.Key takeaway: There is no universal sample prep recipe for MOSH/MOAH. Laboratories must adapt workflows to their matrices while staying aligned with ISO 20122 guidance.<h3>Managing multiple sample prep options in a busy lab</h3>Many labs analyze a wide variety of matrices daily. Running different sample prep workflows manually can be time-consuming and error-prone.Experts highlighted how software-driven workflows help solve this challenge:<ul><li>Multiple sample prep methods can run in the same sequence</li><li>Optional steps (such as Alox clean-up) can be toggled per sample</li><li>Overlapping methods maximize instrument utilization</li><li>Analysts only need to weigh samples and load reagents—automation handles the rest</li></ul>E-workflows simplify method selection and ensure the correct prep is applied every time, reducing training requirements and minimizing human error.For lab managers, this translates into:<ul><li>Higher throughput</li><li>More consistent results</li><li>Less hands-on time for skilled analysts</li></ul><h3>Which internal standard is best for MOAH quantification?</h3>Internal standard selection is critical for reliable MOAH quantification. The experts addressed this directly, referencing extensive comparative studies.Three candidates were evaluated:<ul><li>1-Methylnaphthalene (1-MN)</li><li>2-Methylnaphthalene (2-MN)</li><li>Tert-butylbenzene (TBB)</li></ul>Based on repeatability, reproducibility, recovery, and accuracy, TBB emerged as the clear winner and is now specified in ISO 20122.<h3>Why TBB?</h3><ul><li>More stable behavior across sample prep steps</li><li>Better overall performance in routine analysis</li><li>Improved consistency between laboratories</li></ul>For labs updating or validating MOSH/MOAH methods, aligning internal standards with ISO recommendations is strongly advised.<h3>How should ISO criteria for internal standard recovery be interpreted?</h3>A frequent point of confusion is how to interpret internal standard recovery limits defined in ISO methods.The experts clarified an important distinction:<ul><li>Recovery criteria apply to direct injections of internal standards</li><li>All components should fall within 90–110% of the quantification standard</li><li>Perylene is allowed a slightly broader range (80–100%)</li></ul>In real samples, internal standard recoveries can vary due to legitimate chemical effects:<ul><li>Epoxidation may reduce perylene</li><li>Alox clean-up can reduce cholestane</li><li>Saponification may affect methylnaphthalenes</li><li>Some hydrocarbons may be naturally present in the matrix</li></ul>Bottom line: Deviations in sample recoveries do not automatically indicate method failure. Understanding the chemistry behind each step is key to correct interpretation.<h3>Do you still need LC-GC-FID if you have GC×GC-MS?</h3>As GC×GC-MS becomes more accessible, many labs ask whether it can replace LC-GC-FID entirely.According to current EURL guidance:<ul><li>GC×GC is primarily intended for identification, not quantification</li><li>Quantification using GC×GC-FID is technically possible but not yet recommended</li><li>LC-GC-FID remains the reference technique for MOSH/MOAH quantification</li></ul>GC×GC-MS plays a complementary role by:<ul><li>Confirming the presence of aromatic markers and MOSH markers like hopanes, steranes and particular naphthenes</li><li>Differentiating mineral oil components from biogenic interferences</li><li>Supporting risk assessment and regulatory discussions</li></ul>For now, the most robust approach is a combined workflow:<ul><li>LC-GC-FID for quantification</li><li>GC×GC-FID/MS for confirmation and identification</li></ul><h3>Using specific ion masses for marker identification in GC×GC</h3>GC×GC-MS offers powerful identification capabilities when used correctly.Experts highlighted that:<ul><li>The EURL provides recommended ion masses for key MOAH subgroups</li><li>Selective ion chromatograms (SICs) can be generated for markers such as:<ul><li>Naphthalenes</li><li>Hopanes</li><li>Steranes</li><li>DIPNs</li></ul></li></ul>Using multiple SIC views alongside total ion chromatograms (TICs) allows:<ul><li>Faster confirmation of markers</li><li>Clear differentiation from interferences</li><li>More confident reporting of MOAH presence</li></ul>This approach significantly improves interpretability compared to relying on TICs alone.<h3>How is GC×GC-MS data processed efficiently?</h3>One concern with GC×GC-MS is the perceived complexity of data handling.The experts demonstrated a streamlined workflow:<ul><li>Instrument control and acquisition remain in <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/76">Chromeleon S/W</a></li><li>Raw data are automatically exported for GC×GC processing</li><li>Templates are applied to identify known marker regions</li><li>Results are organized by vial, run, and detector channel</li></ul>This structured approach ensures:<ul><li>Consistent marker identification</li><li>Reduced manual data handling</li><li>Faster reporting despite large data volumes</li></ul>For labs new to GC×GC, standardized templates and automated processing significantly reduce the learning curve.<h3>Comparing FID and MS chromatograms: why it matters</h3>Accurate comparison between FID and MS data is critical when combining quantification and identification.Thanks to synchronized acquisition:<ul><li>FID and MS chromatograms are recorded simultaneously</li><li>First-dimension retention times are identical</li><li>Second-dimension alignment is highly accurate</li></ul>This enables:<ul><li>Direct correlation of quantified FID regions with identified MS markers</li><li>Greater confidence in results</li><li>Stronger defensibility during audits and regulatory review</li></ul><h3>Why use a single quadrupole MS instead of TOF-MS?</h3>Time-of-flight MS is often associated with GC×GC due to its high scan speed. However, experts explained why <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products?category=19&amp;manufacturerItems=3">single quadrupole MS </a>can be a practical alternative.By optimizing scan speed:<ul><li>Single quadrupole MS can capture sufficient data points</li><li>Complexity and cost are reduced</li><li>Compliance with EURL guidance is maintained</li></ul>For many routine MOSH/MOAH applications, this offers an excellent balance between performance and operational efficiency.<h3>Is offline sample preparation better for GC×GC?</h3>There is no universal answer—workflow design depends on laboratory needs.Integrated systems offer:<ul><li>Minimal user intervention</li><li>Reduced risk of contamination</li><li>Streamlined operation</li></ul>Separate systems allow:<ul><li>Parallel operation</li><li>Higher overall throughput in some labs</li></ul>The best choice depends on sample volume, staffing, and analytical priorities.<h3>Final thoughts: Building a future-proof MOSH/MOAH workflow</h3>MOSH/MOAH analysis is evolving rapidly, but some principles remain constant:<ul><li>Robust quantification still relies on LC-GC-FID</li><li>GC×GC-FID/MS adds critical confirmation power</li><li>Automation and software workflows reduce complexity</li><li>Alignment with ISO and EURL guidance ensures defensibility</li></ul>By combining expert knowledge with integrated technology, laboratories can confidently meet today’s regulatory requirements—while preparing for what comes next.If you’re looking to optimize or future-proof your MOSH/MOAH analysis, the insights from this Ask the Experts session provide a strong foundation for success.<ul><li>Watch the free webinar on demand: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5817">Talk to an expert about our barrier-free analysis of MOSH/MOAH</a></li><li>Visit us on&nbsp;<a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/72003132/admin/dashboard/">LinkedIn:</a>&nbsp;#automation #MOSH/MOAH</li></ul><blockquote><h4>Petra Gerhards</h4>Petra Gerhards, Dipl-Ing, is Regional Marketing Manager of GC and GC-MS for EMEA at Thermo Fisher Scientific. She has more than 29 years of experience in the fields of GC-MS, SPE and LC-MS. Since joining the regional team she has contributed to workflow solutions combining vials and closures with SPE solutions, GC-MS and LC-MS. She works with KOL's on data for regional specific marketing campaigns, organizes in-house seminars and works on customer specific solutions. Her main expertise is in the field of doping and drugs-of-abuse analysis.</blockquote>

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