<p><strong>As you embark on your festive celebrations, clinking glasses filled with delightful brews, have you ever considered the meticulous science behind that perfect sip? At Creature Comforts Brewing Co., ensuring each sip of your favorite drink, be it their seasonal festive IPA or my favorite the bold Flash Cat imperial IPA, tastes just right is a year-round commitment.</strong></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_The_Joy_of_Festive_Drinks_A_Cheerful_Tale_of_Consistency_2a360b32e9.jpeg" alt="Thermo Fisher Scientific: The Joy of Festive Drinks: A Cheerful Tale of Consistency." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_The_Joy_of_Festive_Drinks_A_Cheerful_Tale_of_Consistency_2a360b32e9.jpeg 245w," sizes="100vw" width="1024" height="512"></p><p>Nestled in Athens, Georgia, Creature Comforts has become a beacon of quality in the craft beer community since its inception in 2014. Their success lies not just in innovative brewing, but in an unwavering focus on consistency. For this they use an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/484"><strong>advanced Gas chromatography mass spectrometry or GC-MS system</strong></a>. This instrument is a crucial tool in the brewery’s lab that ensures every batch of beer is <strong>consistent </strong>and meets the <strong>highest standards</strong>.</p><p>At Creature Comforts, an array of tests are performed which include checking for <strong>alcohol content, pH levels, density</strong>, and <strong>microbiological tests </strong>to ensure no beer-spoiling organisms are present. Among the most critical tests is the daily check of<strong> vicinal diketones</strong> (VDKs), compounds that can impart off-flavors if not properly controlled. The GC-MS system excels at performing these tests swiftly and accurately. The <strong>GC-MS</strong> system is also utilized for experimental trials, testing how variations in ingredients or processes might affect the final product.</p><p>In-house testing using such advanced equipment allows for rapid issue resolution and ensures that production rates remain high without sacrificing quality. By keeping sample handling within a controlled environment, contamination is avoided, and testing accuracy is maintained. Adding another layer of quality assurance is their sensory panel, a group of trained tasters who subject each batch to rigorous tasting sessions. This panel functions like Santa’s little helpers, making sure only the best brews make it to your holiday celebrations. Any batch that doesn’t meet their expectations is promptly held back for further adjustments.</p><p>So, this festive season, as you enjoy a glass of your favorite holiday beer, take a moment to appreciate the dedication and precision that goes into each sip. Behind every beer, lies a commitment to quality and consistency that makes your celebrations a bit more special. Here’s to the craft brewers who ensure our festive drinks are always delightful, maintaining the joy and cheer of the season, one sip at a time. Happy holidays and cheers to consistent quality!</p><blockquote><p>For more insights into the dedication and science behind Creature Comforts’ brewing process, check out the <a target="_blank" rel="noopener" aria-label="full case study - open in a new tab" data-uw-rm-ext-link="" uw-rm-external-link-id="https://assets.thermofisher.com/tfs-assets/cmd/reference-materials/cs-000433-gc-ms-flavors-volatiles-beer-cs000433-en.pdf$fullcasestudy"><a target="_blank" rel="noopener noreferrer" href="https://assets.thermofisher.com/TFS-Assets/CMD/Reference-Materials/cs-000433-gc-ms-flavors-volatiles-beer-cs000433-en.pdf"><strong>full case study</strong></a></a>.</p><p><strong>Visit our&nbsp;</strong><a target="_blank" rel="noreferrer noopener" aria-label="LinkedIn page - open in a new tab" data-uw-rm-ext-link="" uw-rm-external-link-id="https://www.linkedin.com/showcase/chromatography-&amp;-mass-spectrometry/posts/?feedview=all$linkedinpage"><a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/chromatography-&amp;-mass-spectrometry/posts/?feedView=all"><strong>LinkedIn page</strong></a></a><strong>:</strong> #GCMS #QC</p></blockquote><section><blockquote><h4 data-uw-rm-heading="level" role="heading" aria-level="2"><strong>Adam Ladak</strong></h4><div itemprop="description">Adam Ladak is the global product marketing manager for GC quadrupole mass spectrometry at Thermo Fisher, based in the UK. He started his career working in a contracting testing lab analyzing sports supplements and horse feed for prohibited substances. He has over 20 years of experience in the analytical testing industry and has worked for leading instrument manufacturers in various roles from an application specialist to a global marketing role focused on food and environmental testing. Adam is passionate about utilizing our GCMS instrumentation to meet the customer needs and solve real world problems.</div></blockquote></section>

The Joy of Festive Drinks: A Cheerful Tale of Consistency

<h3><strong>Too much interfering matrix? Discover how to streamline your daily LC-MS analysis with turbulent flow chromatography.</strong></h3><p><strong>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.”</strong></p><p><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"></p><p>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.</p><p>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.<sup>1</sup></p><h3 id="h-what-exactly-is-matrix-effect"><strong>What exactly is matrix effect?</strong></h3><p><strong>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.</strong></p><p>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.</p><p>Some examples of interfering matrix compounds include ion-suppressing salts, proteins, lipids, compounds capable of ion-pairing interactions, and polymers.</p><h3 id="h-how-does-matrix-effect-impact-your-lc-ms-data"><strong>How does matrix effect impact your LC-MS data?</strong></h3><p>Because matrix compounds interfere with the detection and quantitation of your target analytes, the effects ultimately lead to an <strong>under- or overestimation in analyte quantification.</strong></p><p>In the case of LC-MS, the matrix effect triggers ion suppression<sup>2</sup>, 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.</p><p>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.</p><p><strong>Hence suppression of charge transfer to your analytes leads to poor accuracy and limits of detection and quantitation.</strong></p><h3 id="h-sample-preparation-methods-to-remove-interfering-matrix"><strong>Sample preparation methods to remove interfering matrix</strong></h3><p>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.</p><p><strong>Solid-Phase Extraction (SPE) and Liquid-Liquid Extraction (LLE) are techniques used to clean samples before LC-MS analysis.</strong><sup> 3,4</sup></p><ul><li>In <strong>SPE</strong>, 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><strong>LLE </strong>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><p>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"><strong>sample preparation</strong></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.</p><h3 id="h-automated-online-sample-cleanup-for-efficient-sample-preparations"><strong>Automated online sample cleanup for efficient sample preparations</strong></h3><p>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.</p><p><strong>Online SPE</strong>&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.</p><p><strong>Turbulent flow chromatography</strong> (TurboFlow) is a more advanced online sample cleanup approach combining the aspects of the <strong>chemical affinity of SPE with size exclusion chromatography </strong>(SEC).<sup>5</sup></p><h3 id="h-how-does-turbulent-flow-chromatography-work"><strong>How does turbulent flow chromatography work?</strong></h3><p>TurboFlow separates low molecular weight molecules from high molecular weight matrix components using a specialized sample extraction column on LC systems (<strong>Figure 2</strong>).</p><p><strong>Here’s a detailed look at how TurboFlow works</strong>:</p><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"><strong>TurboFlow column</strong></a> (typically large<strong> &gt; 50 µm particle size </strong>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><p><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"></p><h3 id="h-benefits-of-turbulent-flow-chromatography-for-sample-preparation-over-spe"><strong>Benefits of turbulent flow chromatography for sample preparation over SPE</strong></h3><p>While both TurboFlow and online SPE streamline and automate the sample preparation process, TurboFlow has key differences and advantages to consider (Figure 2).</p><p><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"></p><ol><li><strong>TurboFlow provides a cleaner sample compared to SPE</strong><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><strong>A cleaner sample means</strong><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><p>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.</p><h3 id="h-streamline-your-daily-lc-ms-analysis-with-turboflow-technology"><strong>Streamline your daily LC-MS analysis with TurboFlow technology</strong></h3><div style="grid-template-columns:auto 60%;"><div><p>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$onlineturboflowtechnology"><a target="_blank" rel="noopener noreferrer" href="https://assets.thermofisher.com/TFS-Assets/CMD/brochures/br-74120-lc-ms-transcend-uhplc-systems-br74120-en.pdf"><strong>online TurboFlow technology</strong></a></a> is a rapid and efficient sample preparation approach that considerably improves method accuracy, reliability, and sensitivity.<br><br>Adopting this technology can even enhance the competitiveness of your laboratory by allowing faster results, lower costs per sample, and improved reproducibility and MS sensitivity.</p><figure class="image"><img style="aspect-ratio:700/410;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Automated_LC_MS_Sample_Cleanup_Using_Turbulent_Flow_Chromatography_2_0a20492c6a.jpg" alt="Thermo Fisher Scientific: Figure 3. Transcend TLX TurboFlow UHPLC System." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Automated_LC_MS_Sample_Cleanup_Using_Turbulent_Flow_Chromatography_2_0a20492c6a.jpg 245w," sizes="100vw" width="700" height="410"></figure><blockquote><p><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/content/lifetech/global/en/home/industrial/chromatography/liquid-chromatography-lc/hplc-uhplc-systems/transcend-turboflow-tlx-systems.html"><strong>Learn how TurboFlow can ease your lab’s daily LC-MS analysis of complex matrices today</strong></a><strong>.</strong></p></blockquote><article aria-label="Automated LC-MS Sample Cleanup Using Turbulent Flow Chromatography"><div><blockquote><p><strong>Visit us on </strong><a target="_blank" rel="noreferrer noopener" aria-label="LinkedIn: - open in a new tab" data-uw-rm-ext-link="" uw-rm-external-link-id="https://www.linkedin.com/showcase/72003132/admin/dashboard/$linkedin:"><a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/72003132/admin/dashboard/"><strong>LinkedIn:</strong></a></a> #TurbulentflowChromatography #lcms #IonSuppression</p></blockquote></div></article><section><blockquote><h4>Dan Kalu Appulage</h4><p>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.</p></blockquote></section></div></div>

Automated LC-MS Sample Cleanup Using Turbulent Flow Chromatography

<h3><strong>Understanding the memory effect in spark OES</strong></h3><p><strong>Spark-generated plasma </strong><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/us/en/home/industrial/spectroscopy-elemental-isotope-analysis/oes-xrd-xrf-analysis/optical-emission-spectrometry.html?icid=CAD_blog_metals_2023Oct"><strong>Optical Emission Spectroscopy,</strong></a><strong> or spark OES, is frequently used as an analytical technique in metal production and fabrication. It is particularly useful in </strong><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/us/en/home/industrial/manufacturing-processing/steel-manufacturing.html?icid=CAD_blog_metals_2023Oct"><strong>steel production</strong></a><strong>, where technicians test the elemental composition of their products dozens of times per day.</strong></p><p>The spark <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/us/en/home/industrial/manufacturing-processing/steel-manufacturing/technologies.html?icid=CAD_blog_metals_2023Oct#optical-emission-spectroscopy"><strong>OES method</strong> </a>works by generating sparks and a digital electrical source to create a plasma in an argon atmosphere around a metal sample. The electrical sparks ablate the material, driving off small particles from the surface of the sample. These miniscule particles are excited by the argon plasma and generate light in the UV-visible range. The light emitted depends on the elements present in the sample and on their concentration.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Spark_OES_Where_Having_No_Memory_is_a_Good_Thing_3_3c8ad23524.jpg" alt="Thermo Fisher Scientific: Spark OES: Where Having No Memory is a Good Thing." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Spark_OES_Where_Having_No_Memory_is_a_Good_Thing_3_3c8ad23524.jpg 235w," sizes="100vw" width="800" height="531"></p><p>A small but not insignificant portion of the analyte may remain as residue, both on the electrode creating the sparks and within the spark chamber. These residual particles are very likely to be excited during the next measurement, creating what is known as a “memory effect.” This memory effect can potentially result in artificially high measurements for subsequent samples and compromised analytical accuracy. Imagine that a given sample is high-chromium steel, and the next sample analyzed in the spark OES is chromium-free ultra-low carbon steel (ULC), for example: Any chromium residue from the first sample could create a memory effect, causing the second sample to appear to have higher levels of chromium than it should. The real-world outcome could be the mischaracterization of a batch of steel, perhaps leading to an expensive mistake like disposing of an allegedly defective or sub-standard lot of material that was in reality perfectly fine.</p><h3><strong>Traditional methods of mitigating the memory effect</strong></h3><p>The memory effect has been well-known since spark OES was first developed decades ago. Up to now there have been a few main strategies employed to mitigate the memory effect:</p><ul><li><strong>Exchanging the contaminated parts of the spark stand</strong> – In the past, even some spark OES instruments were designed with more than one spark stand to avoid memory effects when changing the matrix, for example from iron based materials to aluminum based materials. While changing out a spark stand or parts of spark stand like isolating inserts and electrodes certainly would minimize any carry-over contamination and memory effects, this obviously increased the costs associated with the technology and the process could be time-consuming.</li><li><strong>Use of pin electrodes</strong> – So-called “pin electrodes” typically only have a diameter of a millimeter and thus provide less chance for particles from previous samples to stay on the tip of the electrode. Unfortunately, pin electrodes can only be used for applications with lower melting points like aluminum, and they are not suitable for iron and steel analysis. Also, their small size makes them less durable and leads to the electrodes having a shorter life span.</li><li><strong>Cleaning procedures</strong> – Physical cleaning methods such as the use of specialized brushes or bursts of argon gas are traditional techniques used throughout laboratories of all kinds. In spark OES, they help to minimize analytical residues and mitigate memory effects.</li><li><strong>Blank measurements</strong> – Incorporating measurements of “blanks” between sample runs helps to establish a baseline signal free from undesired residual elements. The choice of an appropriate blank sample (for instance, a pure iron sample would be useful when analyzing steel materials) and careful monitoring by operators are essential. Extra samples also means this method requires extra time.</li></ul><h3><strong>A new spark OES design diminishes memory effect</strong></h3><p>As is often the case in scientific research and <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/us/en/home/industrial/manufacturing-processing/steel-manufacturing/solutions.html?icid=CAD_blog_metals_2023Oct#laboratory-materials-analysis">laboratory material analysis</a>, an attempt to solve one problem serendipitously led to a solution of a different kind. While attempting to increase the stability of the spark OES instrument results over a scale of days, the scientists inadvertently found a way to decrease the memory effect. Most spark OES designs utilize a single stream of argon flowing straight down the center of the spark chamber. Argon flow is increased during analysis to increase the visibility of the analyte. (Argon does not absorb UV light so it does not interfere with the signal generated by the sample; the argon also helps avoid sample oxidation.) After the analysis, a touch more of argon is usually passed through the chamber to try to blow away any residual particles.</p><p>In an effort to remove black deposits that can build up in the spark chamber, additional channels of argon gas have been added to the chamber design. The new channels are oriented at angles to the spark stand, on either side of the original line of gas flow. This orientation creates turbulence in the area where black deposits can form. The gas currents not only prevented black deposits from forming, they cleared away so much residue from the spark stand that the memory effect was not seen any more.</p><h3><strong>A practical example from steel analysis</strong></h3><p>This new spark OES configuration has already demonstrated practical results. The graphs below in Figures 1 and 2 show the memory effect on chromium and nickel, respectively, in ultra low carbon (ULC) steel samples. After a steel sample containing 16.5% chromium and 11% nickel was analyzed, a sample of ULC steel was assayed. The measurements of the clean steel sample were expected to be about 0.0063% for Cr and 0.0032% for Ni. The results displayed here show that the first few measurements for both elements were elevated by as much as a factor of 10! Multiple trials had to be run before the residual particles were flushed and the memory effect was overcome to generate stable, accurate results.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Spark_OES_Where_Having_No_Memory_is_a_Good_Thing_01eaa400bd.jpg" alt="Thermo Fisher Scientific: Spark OES: Where Having No Memory is a Good Thing." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Spark_OES_Where_Having_No_Memory_is_a_Good_Thing_01eaa400bd.jpg 245w," sizes="100vw" width="959" height="348"></p><p>With the novel spark OES&nbsp;configuration featuring additional argon channels, the argon injected after the analysis of a Cr- and Ni-containing steel sample removed residual particles so efficiently that virtually no memory effect could be observed. In fact, the results were virtually identical to those found when a manual brush was used to ensure residual particles had been cleaned away. Notice in Figure 3 that even on the first run of the clean steel sample, the Cr and Ni values are in line with later analyses.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Spark_OES_Where_Having_No_Memory_is_a_Good_Thing_2_ab41b69c97.jpg" alt="Thermo Fisher Scientific: Spark OES: Where Having No Memory is a Good Thing." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Spark_OES_Where_Having_No_Memory_is_a_Good_Thing_2_ab41b69c97.jpg 245w," sizes="100vw" width="786" height="406"></p><h3><strong>Say goodbye to the memory effect</strong></h3><p>The well-known memory effect could be totally eliminated with this new spark stand concept featuring additional argon flow channels, at least where the analysis of steel and iron is concerned. This will not only save a lot of time which up to now has been necessary to either perform manual cleaning or to run blank samples several times. It will also avoid the transmittance of incorrect results and make the instrument totally trustable. We may not ever forget about the memory effect in spark OES, but we sure won’t miss it when it’s gone.</p><blockquote><h4><strong>Additional Resources</strong></h4><ul><li><strong>Quick Guide: </strong><a target="_blank" rel="noopener noreferrer" href="https://assets.thermofisher.com/TFS-Assets/MSD/posters/OES-PO41283-OES-quick-guide.pdf?icid=CAD_blog_metals_2023Oct"><strong>Spark Optical Emission Spectrometry (OES)</strong></a><strong> illustrating the spark OES method</strong></li><li><strong>Brochure: </strong><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/paper/27802"><strong>Thermo Scientific ARL iSpark Plus, illustrating the novel spark OES configuration</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/paper/27802"><strong>Steel Production Technologies</strong></a></li></ul></blockquote>

Spark OES: Where Having No Memory is a Good Thing

<p>🎤 <strong>Presenter</strong>: Andrea Caratti (University of Turin, Turin, Italy)</p><p>💾 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/FL_17_Caratti_Oral_MDCW_CC_a93f40bcee.pdf"><strong>PDF presentation</strong></a></p><blockquote><p>💡 <strong>Book in your calendar: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/events/787"><strong>17th Multidimensional Chromatography Workshop (MDCW)</strong></a><strong> 13 - 15. January 2026</strong></p></blockquote><h3><strong>Abstract</strong></h3><p><strong>Volatilomics is a growing field focused on identifying volatile metabolites in various samples. A straightforward approach using comprehensive two-dimensional gas chromatography (GC×GC) with parallel flame ionization detector (FID) and mass spectrometry (MS) offers both compound identification (via MS) and precise quantification (via FID). Typically, FID and MS data are analyzed separately, but with dedicated software solutions it is possible to combine raw signals from parallel detection. The fused signal brings the original information from both detectors (i.e., MS fragmentation pattern and FID response at each data point) and enable reliable image pattern recognition by template matching.</strong></p><p>The contribution discusses the workflow to obtain combined detector signals and challenges posed by: (a) dual parallel detection, (b) dual parallel second dimension (2D) columns set up, and (c) impaired acquisition frequencies. As test bench for the new data fusion workflow food volatilomics and fragrance allergens profiling are considered.</p><p>With data fusion, template matching using MS spectral similarity reduces false negatives by 80% on comprehensive UT features covering the hazelnut detectable volatilome (450 UT features) and improves true positive matches in allergens recognition. In both applications, accurate quantification is made straightforward due to the readily available FID signal.</p>

Dual detection raw data fusion: fingerprinting over large time frames (Andrea Caratti, MDCW 2025)

<p>🎤 <strong>Presenter</strong>: &nbsp;Oskar Munk Kronik (niversity of Copenhagen, Frederiksberg, Denmark)</p><p>💾 <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/FL_10_Oskar_Munk_Kronik_d06fe8edbe.pdf"><strong>PDF presentation</strong></a></p><blockquote><p>💡 <strong>Book in your calendar: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/events/787"><strong>17th Multidimensional Chromatography Workshop (MDCW)</strong></a><strong> 13 - 15. January 2026</strong></p></blockquote><h3><strong>Abstract</strong></h3><p><strong>Comprehensive two-dimensional liquid chromatography (</strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?instrumentationItems=39"><strong>LC×LC</strong></a><strong>) has over the years matured from home-build intricate systems to commercially available solutions allowing for its proliferation in a broader community. A large body of research on LC×LC has focused on reaching optimal chromatographic conditions through various optimization schemes. Whereas the chromatographic performance of LC×LC outcompetes one-dimensional LC, the subsequent data processing is often laborious. Therefore, the data from LC×LC hyphenated to high-resolution mass spectrometry (HRMS) is often vastly underexploited. Even routine data processing operations for </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?instrumentationItems=30"><strong>LC-HRMS</strong></a><strong> remain challenging in </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?instrumentationItems=39-30"><strong>LC×LC-HRMS</strong></a><strong>.</strong></p><p>In this study, we explore open-source data processing workflows for LC×LC-HRMS and assess their potential for non-target screening. <strong>Key aspects include:</strong></p><p>1) data compression while preserving mass spectral resolution,<br>2) leveraging high-dimensional data through curve-resolution methods,<br>3) feasibility for trace-level analysis,<br>4) compound grouping across different samples, and<br>5) using LC×LC-HRMS to detect chemical differences between samples.</p><p>We benchmark these workflows using LC×LC-HRMS data from environmental and plant metabolomics samples.</p><p>In recent work (unpublished), we have investigated how to extract high-quality mass spectra for trace-level compounds in LC×LC-HRMS data using variable selection prior to multivariate curve-resolution (MCR). We found that variable selection is a key step for increasing the detection-rate of trace-level compounds when using MCR.</p>

Data processing workflows for non-target screening on LC×LC-HRMS data (Oskar Munk Kronik, MDCW 2025)

<p><strong>In the week of March 24, the following webinars await you in the field of liquid phase and especially HPLC and LC/MS.</strong></p><blockquote><p><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></p><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>4 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. C&amp;EN/Agilent Technologies: Empowering Drug Metabolite Identification with a Novel LC/MS Software Workflow</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Tuesday, March 25, 2025, 16:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4848">Registration</a></li></ul><p>In this webinar, we describe a novel hi-res LC/MS strategy for drug metabolite identification and demonstrate with several known drugs.</p><h5><strong>2. SCIEX: Constructing confidence in your mass spectrometry method</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Tuesday, March 25, 2025, 17:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4788">Registration</a></li></ul><p>Understand commonly used terms for validation or verification and how to establish lower limits of quantitation of the method versus the instrument.</p><h5><strong>3. Bruker: Tailored Proteomics for Biomarker Research in Genetic Diseases: From Biofluids to Tissue Biopsies</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Wednesday, March 26, 2025, 10:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4847">Registration</a></li></ul><p>In this talk, Dr. Chiara Guerrera will present case studies of three rare genetic diseases, highlighting how we selected the most appropriate proteomics analyses to gain deeper insights into each condition.</p><h5><strong>4. Thermo Fisher Scientific: Towards sub-cellular mass spectrometry omics: The SEISMIC facility for spatially resolved single and sub-cellular omics</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Wednesday, March 26, 2025, 16:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4888">Registration</a></li></ul><p>In this webinar you will learn how the SEISMIC facility enables spatially resolved single-cell and sub-cellular 'omics' analysis.</p><h5><strong>5. Waters Corporation: Revolutionizing High Resolution Mass Spectrometry and Forensic Toxicology: Key Updates and Solutions</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Wednesday, March 26, 2025, 16:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4887">Registration</a></li></ul><p>Learn about the development and advancement of the Waters Forensic Screening Application Solution and recognize the benefits of using a single platform for improved usability.</p><h5><strong>6. Agilent Technologies: Small Molecule Chromatographic Purification in Pharmaceutical R&amp;D and Manufacturing</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Wednesday, March 26, 2025, 16:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4883">Registration</a></li></ul><p>This presentation will discuss the critical role small molecule purification plays within a pharmaceutical company.</p><h5><strong>7. Waters Corporation: Advances in Polyconjugate Vaccine Development: Leveraging SEC-MALS for Enhanced Quality Control and Efficacy</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Wednesday, March 26, 2025, 16:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4748">Registration</a></li></ul><p>This webinar explores advances in pneumococcal vaccines, focusing on development, production, and quality control.</p><h5><strong>8. Shimadzu Corporation: Innovations in SFC Applications and Technology for Pharma and Biopharma</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Wednesday, March 26, 2025, 19:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4889">Registration</a></li></ul><p>Join us for this event that will discuss how Shimadzu SFC technology is being used to drive innovation throughout the drug development process.</p><h5><strong>9. Agilent Technologies: Advanced Column Selection for SEC/GPC Analysis of Biomolecules</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Thursday, March 27, 2025, 11:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4849">Registration</a></li></ul><p>In this webinar, we will highlight the main factors that define a strong SEC column and illustrate how they benefit the analysis of different modalities, including AAVs, VLPs, and large oligonucleotides.</p><h5><strong>10. Thermo Fisher Scientific: Unlocking the Secrets of Complex Pesticide Residues: Advanced Techniques with Compound Discoverer Software</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Thursday, March 27, 2025, 16:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4863">Registration</a></li></ul><p>We discover how it is using Thermo Scientific™ Compound Discoverer™ software to revolutionize the analysis process and uncover the latest advancements that are now available in this innovative solution.</p><h5><strong>11. Evosep Biosystems: Industrialized Drug Discovery with the Evosep One</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Thursday, March 27, 2025, 16:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4803">Registration</a></li></ul><p>In this webinar, we explore how Evosep One is shaping industrialized drug discovery by enabling higher sensitivity, reproducibility, and scalability—critical factors in developing new drug applications.</p><h5><strong>12. Evosep Biosystems: Accelerating Drug Discovery with high-throughput proteomics</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Thursday, March 27, 2025, 16:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4770">Registration</a></li></ul><p>In this webinar we will look into how the Evosep One with high-throughput and sensitivity is a good fit when developing new drug applications or biologics license applications.</p><h5><strong>13. Metrohm: Pushing the Limits: Best Practices for Ultra-trace Ion Chromatography</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Thursday, March 27, 2025, 18:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4890">Registration</a></li></ul><p>In this webinar, we’ll discuss best practices for trace-level analyses, including inline preconcentration strategies and methods to eliminate interfering portions of the sample matrix.</p><h5><strong>14. Agilent Technologies: Elimination of Second Surface Reflections in a UV-Vis-nir Reflectance Measurement</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Thursday, March 27, 2025, 19:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4891">Registration</a></li></ul><p>Join our webinar and learn how to eliminate second surface reflections in reflectance measurements for accurate results. Explore key principles &amp; live demonstrations.</p>

Webinars LabRulezLCMS Week 13/2025

<p><strong>In the week from March 24, the following webinars await you in the field of atomic and molecular spectroscopy and spectrometry</strong></p><blockquote><p><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></p><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>4 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Shimadzu Corporation: All About ICP-MS And FTIR: Essential Insights And Practical Applications</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Tuesday, March 25, 2025, 08:30 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4886">Registration</a></li></ul><p>Discover how Shimadzu’s advanced FTIR and latest ICP-MS technologies enable precise molecular and elemental analysis across a variety of samples.</p><h5><strong>2. Agilent Technologies: Advance Your Raw Material ID: How Handheld Raman Can Verify Materials Through Opaque Packaging</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Tuesday, March 25, 2025, 09:30 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4556">Registration</a></li></ul><p>We will discuss Agilent's handheld Vaya and mobile RapID solutions as well as demonstrate the Vaya's capabilities.</p><h5><strong>3. Mettler-Toledo: Basics of Moisture Determination</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Tuesday, March 25, 2025, 10:30 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4572">Registration</a></li></ul><p>Watch our webinar on the basics of moisture determination and learn how to achieve reliable moisture results with a halogen moisture analyzer.</p><h5><strong>4. Bruker: Getting started with the Magnettech ESR5000: Key benchtop spectrometer for dedicated EPR applications</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Tuesday, March 25, 2025, 16:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4805">Registration</a></li></ul><p>This webinar will cover the technical and practical aspects of the ESR5000, showcasing its capabilities in detecting free radicals and transition metals in various samples and chemical processes.</p><h5><strong>5. Separation Science: Unlocking Agricultural Potential: Fast, Cost-Effective, and Non-Destructive Analysis with FTIR Spectroscopy</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Wednesday, March 26, 2025, 14:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4800">Registration</a></li></ul><p>Join the research team in this webinar to discover how their findings are revolutionizing food research.</p><h5><strong>6. Thermo Fisher Scientific: Increasing Laboratory Productivity using easyAGD for Thermo Scientific iCAP MX Series ICP-MS</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Thursday, March 27, 2025, 13:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4697">Registration</a></li></ul><p>Join this virtual demonstration of the Thermo Scientific iCAP MX Series ICP-MS to learn how to use the new easyAGD.</p><h5><strong>7. Agilent Technologies: Elimination of Second Surface Reflections in a UV-Vis-nir Reflectance Measurement</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Thursday, March 27, 2025, 19:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4891">Registration</a></li></ul><p>Join our webinar and learn how to eliminate second surface reflections in reflectance measurements for accurate results. Explore key principles &amp; live demonstrations.</p>

Webinars LabRulezICPMS Week 13/2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 24th March 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application notes by <strong>Agilent Technologies, Shimadzu </strong>and <strong>Thermo Fisher Scientific</strong>!</p><h3><strong>1. Agilent Technologies: Fast Analysis of Human Malodor Compounds, Volatile Organic Acids by SPME and Column Backflushing</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_gc_ms_spme_voas_5994_8149en_agilent_8e03a19a0e.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Human body odor is caused by the metabolism of sweat by a host of microorganisms in the human underarm. Human sweat is odorless and certain microbial species metabolize secreted sweat components into volatile, malodorous compounds. These bacterial species exist as a microbiome community. Some members of this community can enzymatically convert nonodorous components of human sweat into malodorous compounds, while others are not responsible for creating noxious smells. The human axillary hosts a wide array of bacterial species, including Corynebacterium jeikeium and Corynebacterium tuberculostearicum along with Staphylococcus aureus, Staphylococcus epidermidis and Staphylococcus hominis.<sup>1</sup> The relative population of each species within the microbiome community influences the number of malodorous compounds liberated from digested human sweat. Typically, a variety of volatile organic acids (VOAs) are produced and are comprised of long-chain fatty acids, fatty acids bound to amino acids, and sulfur-containing amino acids. However, several studies suggest that only a few, key odorants are predominately responsible for the negative human perception of body odor, which include E-3-methyl-2-hexenoic acid (E-3M2H), isovaleric acid, 3-methyl-3-sulfanylhexan-1-ol (3M3SH), and 3-hydroxy-3-methylhexanoic acid (HMHA)<sup>.2</sup></p><p>SPME is a technique invented in the early 1990s, where a fiber coated in an absorbent polymer phase is exposed to a sample, either by direct immersion or in the headspace above the sample (Figures 1 and 2).4 The target analytes are adsorbed from the sample to the phase, depending on affinity to the phase, and once reaching equilibrium, will be removed from the sample and desorbed onto the inlet of the GC. These methods of sample preparation and sample introduction have been especially useful in the analysis of low concentration compounds in volatile compounds and in decreasing the effects of heavy matrices.</p><p>Determining which GC column phase to select can be difficult when analyzing trace level aromatic compounds. Spectral deconvolution can be helpful in removing ions of coeluting compounds and in the identification of all peaks. The Agilent MassHunter Quantitative Analysis software with the Unknowns Analysis program is a tool that can be used to analyze multiple samples, deconvolute spectra, and compare retention times or retention index (RI) commercially available libraries such as NIST or user-created libraries.9 To demonstrate the benefit of combining these techniques, the application of analyzing malodor compounds was optimized to improve overall data quality and productivity.</p><h3><strong>Materials and methods</strong></h3><h4><strong>Method&nbsp;</strong></h4><p>A Gerstel <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=8&amp;search=MPS+Robotic"><strong>MPS Robotic Pro</strong></a> was installed on an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8890+GC+5975+MSD"><strong>8890 GC system with an Agilent 5975 MSD</strong></a>. The SPME headspace parameters and MS conditions are listed in Tables 1 through 4. Data were analyzed using Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=MassHunter+Unknowns+Analysis"><strong>MassHunter Unknowns Analysis</strong></a>.</p><h3><strong>Conclusion&nbsp;</strong></h3><p>The use of solid phase microextraction (SPME) is a valuable sampling technique for measuring volatile organic compounds produced by human skin commensals, especially when considering the complex sample matrix of multispecies in vitro bacterial communities. The use of a polar column phase such as an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=J%26W+DB-Wax+ultra+inert"><strong>J&amp;W DB-Wax UI</strong></a> GC column will provide better peak shape for organic acids than a nonpolar column. When switching to a more polar phase, the implementation of midcolumn backflush will help to remove unwanted high-boiling matrix contamination in the VOA sample at lower oven temperatures. This method allows for faster run times, extended column lifetimes, and reduced contamination of the MS source. The Agilent MassHunter Quantitative Analysis software with Unknowns Analysis can be used to easily deconvolute samples by searching against a commercial library or a user-created library to aid in faster sample analysis. Finally, combining SPME with midcolumn backflushing provides a major improvement in method runtimes compared to other methodologies.</p><h3><strong>2. Shimadzu: Extractable Study of Pharmaceutical Packaging and Delivery System Used for Ophthalmic Drug Product</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_06_saip_gc_039_en_cd40a66c6c.pdf"><strong>Full PDF for download</strong></a></li></ul><p><strong>User Benefits:</strong></p><ul><li>ASSP™ and simultaneous Scan/MRM analysis facilitates accurate qualitative identification and quantitation at trace levels</li><li>UFsweeper™ allows quicker ion transmission in the collision cellsuppressing crosstalk &amp; enables faster MRM analysis</li><li>Thermal Desorption (TD) System offers a direct sampling feature that significantly reduces extraction time and prevents the loss of VOCs</li></ul><p>Extractable and leachable (E &amp; L) studies are becoming increasingly important in the pharmaceutical industry as it is mandatory requirement from FDA during filing of the drug product. The purpose of E &amp; L studies is to identify and evaluate possible toxicological risks. E &amp; L studies in the regulatory references aim to identify traces of potential chemical substances. These substances may be harmful to patients due to their toxicity or may impact the activity of the drug product. Hence, to ensure the safety and efficacy of the drug throughout its shelf-life period, E &amp; L studies play an important role. Impact of Extractables on efficacy and safety of the drug product is presented in Figure 1.</p><h4><strong>What are Extractables and Leachables?&nbsp;</strong></h4><p><strong>Extractables</strong> are organic and inorganic chemical entities that are released from a pharmaceutical packaging / delivery system, packaging component, or packaging material of construction into an extraction solvent under laboratory conditions. [1]&nbsp;</p><p><strong>Leachables</strong> are foreign organic and inorganic chemical entities that are present in a packaged drug product because they have leached into the packaged drug product from a packaging/delivery system, packaging component, or packaging material of construction under normal conditions of storage and use or during accelerated drug product stability studies [1].</p><h3><strong>Experimental design</strong></h3><p>There are many ways by which extractable study can be designed like generating extract by maceration (solvent soaking), by reflux/Soxhlet/sealed vessel/sonication or solvent extraction (manually and automated) etc. [1] However, one can perform this study by direct heating the CCP using the technique such as TD System.&nbsp;</p><p>Physical as well as chemical properties of the sample should be considered while designing the extraction experiment. Polarity, pH and chemical components of the drug product plays an important role in the extraction process. Extractable study is performed at accelerated temperature conditions considering worst case scenario for storage of the drug product.&nbsp;</p><p>Here, we conducted extractable study at variable pH and by refluxing the CCP with solvents of different polarities. Also, TD System was utilized for the assessment of extractable study. Empty CCP designed for the storage of Ophthalmic drug product were purchased from the local resource. Using these CCP’s, multiple experiments were performed and acquired data were evaluated to identify the potential extractables. Below are the detailed explanation for Experiment A, B, C, D, E etc. Experiment A is performed by incubating CCP in aqueous solutions having different pH values and experiment B, C, D &amp; E were performed by refluxing the CCP with organic solvents of different polarities.</p><h3><strong>Mathods of analysis</strong></h3><h4><strong>Method-I:&nbsp;</strong></h4><p>In this method, seventeen standards were analyzed by <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=GCMS-TQ8040+NX"><strong>GCMS-TQ8040 NX</strong></a> with <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=AOC-20i+autosampler"><strong>AOC-20i autosampler</strong></a>. For the method suitability, few important parameters like system suitability, linearity and LOQ precision were performed. Instrument Parameters are as mentioned below.</p><h4><strong>Conclusion</strong></h4><ul><li>The chromatographic profile of solvent reflux experiment shows higher number of extractables than aqueous incubation. Furthermore, in aqueous incubation, the content of extractables is well below the AET level. Since, placebo of the ophthalmic drug product is completely aqueous, CCP may be used for the storage.&nbsp;</li><li>Chromatographic profile from different experiments conclude that, the compounds detected in solvent extraction are different than the compounds obtained in TD analysis. Thus, additional information obtained from TD profile will further facilitate material characterization.&nbsp;</li><li>Shimadzu’s GCMS-TQ8040 NX triple quadrupole mass spectrometer provides high scan speed of 20000 amu/sec with ASSP technology which enables simultaneous SCAN/MRM analysis which is critical in E&amp;L study. The UFsweeper technology enables 800 MRMs/sec which minimizes cross-talk, enhances selectivity &amp; sensitivity.</li></ul><h3><strong>3. Thermo Fisher Scientific: Quantitation of volatile PFAS in environmental samples using SPME Arrow and Orbitrap Exploris GC</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_003507_gc_orbitrap_exploris_gc_hram_pfas_an003507_na_en_a23c863bda.pdf"><strong>Full PDF for download</strong></a></li></ul><p><strong>Application benefits</strong></p><ul><li>A simple and robust sample preparation for volatile PFAS based on SPME Arrow for reducing manual handling and potential contamination issues.</li><li>Sensitive and quantitative analysis of volatile PFAS in complex environmental samples using high resolution accurate mass (HRAM) that meets challenging reporting limits.</li><li>Flexible data processing using full scan HRAM to include additional points of confirmation and quickly increase scope of analysis without reanalysis.</li></ul><p>Per- and polyfluoroalkyl substances (PFAS) contain one or more alkyl radicals with all the hydrogens replaced by fluorine atoms. Traditionally, two groups of PFAS have been of the most concern and subject to control and monitoring. The first group includes ionic (or acidic) PFAS—the perfluorocarboxylic acids (perfluorooctanoic acid (PFOA)) and perfluoroalkylsulfonates (perfluorooctanesulfonic acid (PFOS))—where LC-MS-MS is the most common analytical technique. The second group includes neutral (or volatile) PFAS—the fluorotelomer alcohols1 (FTOHs) and N-substituted fluoroalkylsulfonamides (FOSAs). For this group, due to the volatility, GC-MS is the analytical method of choice and is the focus of this study.</p><p>The accurate analysis of PFAS by testing laboratories requires robust and streamlined analytical workflows. These methods must overcome the challenges of an ever-growing list of PFAS compounds, diversity of sample matrices, and demanding analytical performance requirements. Typically, a gas chromatography instrument coupled to low-resolution, nominal mass triple quadruple mass spectrometer (GC-MS/MS) has been the system of choice for the sensitive and selective detection of a wide range of target PFAS compounds. However, the development of high-resolution accurate mass (HRAM) Orbitrap mass spectrometry coupled to GC has proved to be a valuable alternative to triple quadrupole GC-MS. With HRAM mass spectrometry, the default acquisition mode is untargeted (fullscan) meaning that all the ions are acquired with high selectivity at the same time across a specified mass range, making the method setup and data acquisition simple to manage and giving the analyst the flexibility to decide on which compounds to focus. This can extend into retrospective analysis of data to evaluate for the presence/absence of other contaminants not necessarily of interest at the time of acquisition. For example, this could allow the search for other PFAS compounds beyond the target list.&nbsp;</p><p>In this study, the performance of the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/472"><strong>Orbitrap Exploris GC </strong></a>high-resolution accurate mass (HRAM) spectrometer together with the headspace solid phase micro extraction (SPME) Arrow for the quantitative analysis of volatile PFAS including FTOH, fluorotelomer acrylates (FTACs), fluorotelomer methacrylates (FTMACs), fluorotelomer iodides (FTIs), Me/Et-FOSAs, and Me/Et-FOSEs is demonstrated.</p><h3><strong>Experimental</strong></h3><p>Instrument and method setup Headspace extraction and injection of samples were performed using the Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?search=TriPlus+RSH+SMART+autosampler"><strong>TriPlus™ RSH SMART autosampler</strong></a> equipped with the Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=SMART+SPME+Arrow"><strong>SMART SPME Arrow</strong></a> 1.1 mm PDMS 100 µm fiber (P/N 36SA10P1-SM). Incubation and extraction were performed online followed by sample injection/ desorption. After sample injection, the SPME Arrow fiber was re-conditioned at high temperature under a nitrogen flow using an SPME conditioning station to avoid sample carryover between injections. Further details surrounding the SPME Arrow operating parameters can be found in Table 1.</p><p>A Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=TRACE+1610+GC"><strong>TRACE™ 1610 GC</strong></a> equipped with a Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=TraceGOLD+TG-5SilMS"><strong>TraceGOLD™ TG-5SilMS</strong></a> (30 m × 0.25 mm I.D. × 0.25 µm film) capillary column (P/N 26096-1420) was used to perform the chromatographic separation. Oven program conditions can be found in Table 1. Data acquisition was carried out in full scan analysis using an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/472"><strong>Orbitrap Exploris GC mass spectrometer.</strong></a> Additional MS method parameters are summarized in Table 2. External mass calibration was performed prior to analysis, while characteristic ions representing column bleed were used as lock masses when scanning in EI to perform internal mass calibration. Sample acquisition and qualitative processing was performed using the Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=Chromeleon"><strong>Chromeleon</strong></a>™ version 7.3.2 Chromatography Data System (CDS) software. Additional screening data processing was done using Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=Compound+Discoverer"><strong>Compound Discoverer</strong></a>™ software with the Thermo Scientific™ Orbitrap GC-MS HRAM Contaminants Library.</p><h3><strong>Conclusion&nbsp;</strong></h3><p>Volatile perfluoroalkyl substances (PFAS) have become a significant focus in environmental analysis due to their potential health and environmental risks. The inherent complexity of environmental samples and the need for minimal sample handing of volatile PFAS is critical in accurate quantitation and detection. The method presented utilizes a combination of HS-SPME Arrow with an Orbitrap Exploris GC to provide an efficient workflow for the analysis of PFAS compounds giving analytical advantages including:&nbsp;</p><ul><li>Minimal sample preparation and online extraction using the TriPlus RSH SMART robotic autosampler increase the sample throughput and minimize the risk of contamination. Using SPME Arrow extraction technique, good recovery of all target volatile PFAS compounds was demonstrated.&nbsp;</li><li>Full scan acquisition at high mass resolution provides targeted quantitative analysis together with non-target analysis to quickly increase the scope of analysis and screen for other compounds outside the target list.&nbsp;</li><li>Full scan acquisition facilitates versatile data processing and allows for the incorporation of additional confirmation points, including supplementary confirmation ions, spectral matching, and isotope pattern.&nbsp;</li><li>Limits of detection ranging from 0.1 to 1.4 ng/L are well below the target 5 ng/L level of PFAS compounds in complex environmental matrices.&nbsp;</li><li>Application of the method to real samples showed PFAS compounds present in all samples with some very high concentrations in crude sewage and landfill leachate.</li></ul>

News from LabRulezGCMS Library - Week 13, 2025

News from LabRulezLCMS Library - Week 13, 2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezICPMS Library in the week of 24th March 2025? Check out new documents from the field of spectroscopy/spectrometry and related techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT SPECTROSCOPY/SPECTROMETRY RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><strong>LabRulezGCMS</strong></a> libraries.</p></blockquote><p>This week we bring you guide by <strong>Agilent Technologies, </strong>other document by<strong> Mestrelab Research </strong>and brochure by<strong> Shimadzu!</strong></p><h3><strong>1. Agilent Technologies: Trace Metals in Water &amp; Waste Samples Using an Agilent 7850 or 7900 ICP-MS</strong></h3><p><strong>Consumable workflow ordering guide for EPA 200.8, EPA 6020A and ISO 17294-2</strong></p><ul><li>Guides</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/selectionguide_consumables_regulated_methods_icp_ms_7850_7900_5994_3274en_agilent_19016f44a5.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>Water quality has a direct impact on the health of all ecosystems, therefore environmental monitoring of water is often subject to strict legislation.&nbsp;</strong></h4><p><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?search=EPA+200.8"><strong>EPA 200.8</strong></a> provides procedures for determination of dissolved elements in ground, surface and drinking waters and requires labs to carry out performance and quality control (QC) tests to verify the quality of the data.&nbsp;</p><p><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?search=EPA+Method+6020A"><strong>EPA Method 6020A</strong></a> is a performance-based ICP-MS method that can be applied to the determination of over 60 elements in various matrices. Typical sample types include surface water, groundwater, industrial wastes, soils, sludges, sediments, and other solid wastes for which determination of total (acid-leachable) elemental concentrations are required.&nbsp;</p><p>The international standard <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?search=ISO+17294-2"><strong>ISO 17294-2</strong></a> specifies an ICP-MS method for the determination of more than 60 elements in drinking water, surface water, ground water, and wastewater. The list includes analytes covering a wide concentration range from ultra-trace level to major elements. Analytes include Hg, As, Se, Sb, Ag, Sn, Mo, and Tl, all of which are more stable in solutions that contain HCl. The routine addition of HCl to samples is now possible, as all Agilent ICP-MS systems include the ORS4 collision reaction cell, which operates in helium collision mode to resolve common polyatomic interferences including those formed from Cl.&nbsp;</p><p>Some sample types may also contain novel contaminants such as rare earth elements (REEs), which can form doubly charged ion (M2+) overlaps on some required analytes such as Zn, As, and Se. Agilent ICP-MS systems support a novel half-mass mode which allows simple, automatic correction of the REE2+ interferences.</p><p>If you are running water samples, the preferred configuration of Agilent ICPMS is the solution ready <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?manufacturerItems=1&amp;search=7850+icp-ms"><strong>7850</strong></a>. The 7850 will free your workflow from common time traps. The 7850's Ultra High Matrix Introduction (UHMI) system uses an argon stream to dilute samples. Samples with matrix levels up to 25% TDS can be measured without time-consuming and error-prone manual dilutions. The helium collision cell and half-mass correction of the 7850 automatically remove polyatomic and doubly-charged ion interferences. These functions simplify method development and remove a common cause of measurement failure.&nbsp;</p><p>If water samples are only the start of your analysis needs, the Agilent <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?manufacturerItems=1&amp;search=7900+icp-ms"><strong>7900 ICP-MS</strong></a> provides extended capabilities for more demanding applications. The 7900 offers greater flexibility, the industry’s lowest detection limits, and the widest dynamic range to meet all your sample challenges.&nbsp;</p><p>An Agilent ICP-MS system meets the method requirements by providing the highest matrix tolerance for varied water samples, the widest elemental coverage (including Hg, if HCl is added to all samples), the simplest control of interferences using He cell gas, and the widest concentration coverage with the 10 or 11 orders dynamic range detector.&nbsp;</p><p>Agilent 7850/7900 ICP-MS include fully developed methods for regulated and routine methods to save you weeks of method development and documentation time. Preset Methods for EPA 200.8, EPA 6020A, and Drinking Water (with He cell mode) predefine all the required operating parameters.</p><h3><strong>2. Mestrelab Research: Automated qNMR data processing and analysis in the behind-the-scenes of fragment-based drug discovery</strong></h3><ul><li>Others</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Automated_q_NMR_Case_Study_ICR_fae7d73921.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Bringing new drugs into the market is a complex and long process that often requires several years of investigation and considerable human, technological, and economic resources. In the labs of the Cancer Research UK Cancer Therapeutics Unit at The Institute of Cancer Research, London, a Fragment-Based Drug Discovery (FBDD) program has been established for screening and identifying lead compounds with potential therapeutic effects that may serve as starting points for the development of potent drug candidates.&nbsp;</p><p>In their primary screening, researchers in the structural chemistry team rely on Nuclear Magnetic Resonance (NMR) spectroscopy to determine the aqueous solubility and curate a 2860-compound library that feeds multiple research projects. Fragment solubility is one of the most challenging factors in the drug discovery and formulation process as it impacts delivery and bioavailability; so, by performing this first screening, weakly soluble fragments (solubility &lt;500uM) are identified and excluded from the following steps. This process involves spectral acquisition on two 500 MHz spectrometers, processing of thousands of datasets, then manual collection and transfer of data for analysis in spreadsheets – an overwhelming and time-consuming task for scientists that marks only the beginning of a longer discovery process.</p><h4><strong>From manual process to automation</strong></h4><p>Carrying on with such a colossal project was impossible without automating parts of the workflow: so much data was generated and needed analysis and interpretation. So, in 2018, the <strong>Mnova automation </strong>solution (also known as “Mnova Gears” or simply “Mgears”) was adopted by the team to streamline the primary screening steps and improve the workflow efficiency. Mgears is a simple module that can automate complex postacquisition tasks and alleviate the burden of manual analysis by busy scientists.</p><h4><strong>A time- and resource-efficient screening</strong></h4><p>Automating the analysis with Mnova Gears has been a game changer for the team; it has allowed them to upscale the high-quality processing and analysis capabilities of Mnova qNMR to increase lab productivity and process robustness.&nbsp;</p><p>While 80% of the high-throughput analysis is now done by the automation engine, only minimal user intervention is required for the reviewing of final results. This has reduced by nearly six times the overall time spent on each spectrum which has allowed scientists to focus on more innovative and challenging tasks that are more suited to being performed by a highly trained specialist.</p><p>In addition, the output of the automated process is not only more accurate than when it was done manually, but also nicer and more homogeneous, which saved huge time on preparing manual reports, and significantly improved data management practices.</p><h4><strong>Decision making: quicker and more confident</strong></h4><p>One of the best things with Mnova Gears, is that the results are saved into a HTML report that can be quickly checked and exported to other report formats. Compounds that are not soluble at 500uM are rapidly spotted and excluded from downstream studies, while inconsistent and problematic results are loaded into Mnova for a closer inspection, explained Maggie Liu, expert NMR Spectroscopist in the structural chemistry team at The Institute of Cancer Research (ICR). The Mgears product comes with a nice and handy result viewer that enables sample revision, edition, and reprocessing when needed. So, it becomes very easy to investigate the reason behind a wrong calculation, to correct the spectrum and to update the result.</p><h3><strong>3. Shimadzu: Energy Dispersive X-ray Fluorescence Spectrometer ALTRACE</strong></h3><ul><li>Brochures and specifications</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/C142_E050_88489077bc.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>Pushing the Boundaries of Detection&nbsp;</strong></h4><ul><li>Detect trace elements with ease.&nbsp;</li><li>A combination of optical system design and Shimadzu's proprietary high-speed signal processing technology allows ALTRACE to reach new heights in terms of sensitivity.</li></ul><h4><strong>Unparalleled Sensitivity&nbsp;</strong></h4><ul><li>Implement batch elemental analysis from the ppm to percent levels.&nbsp;</li><li>Screen from sub ppm to percent levels.&nbsp;</li><li>Convenient analysis of liquid and powder samples.&nbsp;</li></ul><h4><strong>Escape from Complicated Pretreatment&nbsp;</strong></h4><ul><li>No need for complicated chemical pretreatment before analysis.&nbsp;</li><li>Direct and simple screening, and also precise.&nbsp;</li><li>Lower cost and easier operation compared to methods that incorporate pretreatment.&nbsp;</li></ul><h4><strong>High Throughput and Efficiency&nbsp;</strong></h4><ul><li>Automatic consecutive analyses of up to 48 samples&nbsp;</li><li>User-friendly drawer style tray&nbsp;</li><li>Support for interrupted analysis during measurements</li></ul>

News from LabRulezICPMS Library - Week 13, 2025

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