News from LabRulezLCMS Library - Week 23, 2025

A dual-polarity ion mobility spectrometer for capturing hyper-fast chromatographic peaks

LC-MS-based metabolomics for detecting adulteration in Tribulus terrestris-derived dietary supplements

The goal of this study is to investigate the presence and leaching rate of lead from locally sourced unplasticized polyvinyl chloride (uPVC) pipes into drinking water under different temperature and time conditions. The study addresses a gap in existing literature by focusing on uPVC pipes manufactured with region-specific processes and materials, providing insights relevant to local public health and regulations.A dual-method approach is used: inductively coupled plasma optical emission spectrometry (ICP-OES) quantifies lead concentrations in water, while scanning electron microscopy-energy dispersive X-ray spectroscopy (SEM-EDX) maps the distribution of lead on pipe surfaces. This combined methodology offers a comprehensive understanding of lead leaching dynamics and supports the evaluation of potential health risks associated with local uPVC piping systems.<blockquote><h4>The original article</h4><h4><a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S2211715624006726">Evaluating lead leaching from uPVC pipes into drinking water: Characterization with SEM-EDX and ICP-OES</a></h4>Yassin T.H. MehdarResults in Chemistry, Volume 13, 2025, 101976<a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1016/j.rechem.2024.101976">https://doi.org/10.1016/j.rechem.2024.101976</a><h6>licensed under <a target="_blank" rel="noopener noreferrer" href="https://creativecommons.org/licenses/by/4.0/">CC-BY 4.0</a></h6></blockquote>Selected sections from the article follow. Formats and hyperlinks were adapted from the original.Unplasticized Polyvinyl Chloride (uPVC) is a versatile and widely used material in the construction and plumbing industries due to its durability, resistance to weather, and low maintenance requirements. At the core of uPVC's performance and reliability is the use of stabilizers, which enhance the material's stability and improve its processing characteristics. One such stabilizer is Lead (Pb), a heavy metal that has been used in uPVC manufacturing for its unique properties <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S2211715624006726#b0005">[1]</a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S2211715624006726#b0010">[2]</a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S2211715624006726#b0015">[3]</a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S2211715624006726#b0020">[4]</a>.The use of Lead (Pb) as a stabilizer in uPVC is a complex process that involves several steps. First, the raw materials, including PVC resin, stabilizers, and other additives, are meticulously mixed. Lead (Pb) is introduced at this stage as it plays a crucial role in enhancing the stability and processability of the uPVC. Next, the mixture is processed under high temperatures and pressures to form a homogenous compound. This step is critical as it determines the final properties of the uPVC. The high temperatures not only facilitate the melting and mixing of the components but also aid in the dispersion of Lead (Pb) throughout the compound. After the compound formation, the uPVC is extruded into the desired shape, such as pipes or profiles. At this stage, the presence of Lead (Pb) as a stabilizer becomes evident as it helps maintain the shape and dimensional stability of the uPVC during the extrusion process <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S2211715624006726#b0025">[5]</a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S2211715624006726#b0030">[6]</a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S2211715624006726#b0035">[7]</a>.A recent study in 2023 examines the factors affecting the release of lead and iron from Egyptian water pipes made of PVC, PP, and GI. Low pH increased lead release, with PVC pipes showing lead concentrations of 0.09–0.13&nbsp;mg/L, PP pipes 0.03–0.04&nbsp;mg/L, and GI pipes 0.053–0.064&nbsp;mg/L after 72&nbsp;h of stagnation. Higher pH and alkalinity reduced metal release. PVC pipes released the most lead, and PP pipes the least. Findings emphasize the significant influence of water chemistry on metal leaching in water supply systems <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S2211715624006726#b0115">[23]</a>. Moreover, a study examined the impact of water pH and flow conditions on lead release from PEX-A, HDPE, and copper pipes. Lead release was higher at pH 5.0 and under stagnant conditions. Biofilm-laden HDPE pipes released 5.3&nbsp;% lead over 120&nbsp;h, while biofilm-laden copper pipes released 3.9&nbsp;% lead in 6&nbsp;h. New PEX-A pipes released 4.4&nbsp;% lead under flow conditions. Biofilms did not significantly affect lead uptake <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S2211715624006726#b0120">[24]</a>.This paper will thoroughly study these aspects and investigate the presence of lead and its leaching rate from some uPVC pipes into drinking water undergoes different conditions of temperature and time. In addition, this study includes a characterization method of elemental mapping obtained using scanning electron microscopy-energy dispersive X-ray spectroscopy (SEM-EDX). Furthermore, inductive coupled plasma-optical emission spectrometry (ICP-OES) was utilized to determine the concentration of Pb in water samples.<h4>Materials and methods</h4><h5>ICP-OES characterization</h5>Inductively coupled plasma-optical emission spectrometry (ICP-OES; Thermo Scientific, <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=3&amp;search=icap+6000+series">ICAP 6000 Series</a>) was employed to quantify the concentration of Pb in water samples. The instrument operated with a radio frequency (RF) power of 1.2&nbsp;kW, an argon coolant gas flow rate of 18&nbsp;L/min, and a gas pressure of 30 psi. The water samples were acidified using HNO3 (Sigma-Aldrich), and the final volume of each sample was concentrated to 22&nbsp;ml. Thereafter, the samples were analyzed using ICP-OES.<h5>SEM-EDX characterization</h5>The SEM-EDX laboratory conditions were controlled, with a constant temperature of 27&nbsp;±&nbsp;1°C and relative humidity maintained between 40–46&nbsp;%. The SEM-EDX analysis was performed using an emission scanning electron microscope (SEM, Hitachi TM 3030 Plus) equipped with EDX microanalysis system was utilized to quantify the weight percentages of Lead (Pb) on the inner surfaces of the uPVC pipes. The SEM was employed in high vacuum mode with an accelerating voltage of 15&nbsp;kV. Each uPVC pipe was examined at multiple magnifications (100x, and 600x) to capture surface morphology and structural details.<h4>Results and discussions</h4><h5>Elemental composition of uPVC pipes</h5>Results show the elemental mapping of the inner surfaces of the three uPVC pipes (uPVC1, uPVC2, and uPVC3) obtained using the SEM equipped with EDX microanalysis system, in which surface distributions (<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S2211715624006726#f0005">Fig. 1</a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S2211715624006726#f0010">Fig. 2</a>). The weight percentage of the main components in these pipes was determined at two different measurement points (magnitude 100&nbsp;×&nbsp;and 600&nbsp;×&nbsp;).<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Results_in_Chemistry_Volume_13_2025_101976_Fig_1_SEM_EDX_elemental_mapping_for_u_PVC_pipes_used_in_this_study_eabbd943fa.jpg" alt="Results in Chemistry, Volume 13, 2025, 101976: Fig. 1. SEM-EDX elemental mapping for uPVC pipes used in this study (a) uPVC1, (b) uPVC2, and (c) uPVC3, at Magnitude 100x." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Results_in_Chemistry_Volume_13_2025_101976_Fig_1_SEM_EDX_elemental_mapping_for_u_PVC_pipes_used_in_this_study_eabbd943fa.jpg 142w," sizes="100vw" width="3549" height="3883"><h5>Influence of storage time on lead release</h5>In this study, the influence of time on lead release was significant, with lead concentrations increasing over time. For example, at 40&nbsp;°C, the concentration of lead in uPVC1 on day 3 was twice that on day 1, and it further increased fivefold by day 10. At 50&nbsp;°C, the lead concentration in uPVC1 rose from 37&nbsp;µg/L on day 1 to 206&nbsp;µg/L by day 10. Similarly, for uPVC2 and uPVC3 at 40&nbsp;°C, lead concentrations increased from 43&nbsp;µg/L and 40&nbsp;µg/L on day 1 to 214&nbsp;µg/L and 224&nbsp;µg/L by day 10, respectively.These findings are consistent with several of the other studies. For instance, Study by Al-Malack found a steady increase in lead concentration over time, with lead levels reaching 0.78&nbsp;mg/L after 48&nbsp;h of exposure. Similarly, Study by Koh observed that lead extraction generally continued to increase with successive extractions, although the rate of increase diminished over time. For example, the study showed that the rate of extraction decreased after six or seven extractions.The findings from this study, along with reported studies, indicate that higher temperatures and longer exposure durations can synergistically enhance the leachability of lead from uPVC pipes into drinking water. In this study, the mean concentration of lead in drinking water on day 2 was 98.78&nbsp;µg/L, increasing by 44.2&nbsp;% and 47.6&nbsp;% after 5 and 10&nbsp;days, respectively. Additionally, the variability in the results is evident, as the standard deviation for the uPVC 1, uPVC 2, and uPVC 3 pipes after 10&nbsp;days is&nbsp;±&nbsp;39.33&nbsp;µg/L, which is the highest among all conditions.However, some studies reported different patterns. Study by Wong (1988), while lead leaching generally increased over time, the presence of certain extractants like HPO42- resulted in a decrease in lead extraction rates at higher temperatures. This indicates that the interaction between time, temperature, and extractants can be complex. For instance, the study found that the lead concentration was lower at 45&nbsp;°C compared to 27&nbsp;°C when HPO42- was used as an extractant.The differences in results are attributed to the varying experimental designs, types of extractants used, and specific formulations of the uPVC pipes. For instance, this study shows that the type of uPVC pipe significantly influences lead leaching. uPVC2 consistently exhibited the highest lead concentrations at all time points and temperatures, with a maximum of 276&nbsp;µg/L at 50&nbsp;°C after 10&nbsp;days. This suggests that the chemical composition and manufacturing process of the pipes play a crucial role in lead release.These findings are corroborated by several other studies. For instance, Koh's Study found that pipes extruded at higher temperatures (190&nbsp;°C) had lower lead leaching rates due to more uniform lead distribution. Similarly, Wong's Study (1990) reported that pipes extruded at 190&nbsp;°C consistently exhibited lower lead extraction rates compared to those extruded at 170&nbsp;°C or 180&nbsp;°C. Specifically, the study showed that the lead concentration was significantly lower for pipes extruded at 190&nbsp;°C, highlighting the importance of manufacturing processes.Based on the obtained results, temperature, time, and different uPVC manufacturing processes significantly influence the leachability of lead from the pipes into drinking water. However, temperature exhibits the most pronounced effect.<h4>Conclusion</h4>Reducing the migration of lead from uPVC pipes into drinking water is a critical issue that requires immediate attention. The core findings of this study emphasize the significant roles of temperature and time in accelerating lead leaching from uPVC pipes. By employing a dual-method approach that combines ICP-OES for precise quantification and SEM-EDX for detailed elemental mapping, this research provides a more comprehensive and accurate analysis of lead presence and distribution compared to previous studies. The results demonstrate that higher temperatures and longer exposure times significantly increase lead release, as evidenced by uPVC pipes, which exhibited the highest lead concentrations. These findings suggest that controlling the temperature of drinking water and using pipes with optimized formulations can help mitigate lead contamination.Several strategies can be employed to reduce lead migration, including the adoption of lead-free uPVC pipes or alternative materials with reduced lead content should be prioritized. This approach can significantly lower the risk of lead contamination. Additionally, maintaining the temperature of water within a safe range can minimize lead leaching. However, it is important to note that these measures should be implemented in conjunction with ongoing research to fully understand the mechanisms behind lead migration from uPVC pipes. This will allow for the development of more effective and long-term solutions to ensure the safety of our drinking water.The findings of this study contribute significantly to the field by providing a systematic and comprehensive analysis of the factors influencing lead leaching from uPVC pipes. The use of controlled experimental conditions and consistent pipe types enhances the reliability of the results and provides a clear understanding of the influence of temperature, time, and pipe type on lead release. These insights can inform future research and guide the development of strategies to mitigate lead contamination in drinking water.Future research should focus on optimizing the manufacturing processes of uPVC pipes to minimize lead content and enhance their resistance to environmental factors. Addressing these issues is crucial for ensuring the safety and quality of drinking water for future generations. It is also important to consider the long-term effects of lead leaching from uPVC pipes. While this study focused on a 10-day period, understanding the cumulative impact of lead migration over weeks or months is essential for assessing the safety of drinking water. Long-term studies can provide valuable insights into the durability and safety of uPVC pipes and help develop guidelines for their use in various environments.

Evaluating lead leaching from uPVC pipes into drinking water: Characterization with SEM-EDX and ICP-OES

In the week of June 9, the following webinars await you in the field of liquid phase and especially HPLC and LC/MS.<blockquote><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinars">👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</a>👉 Search and filter in the largest global database with over 4 500 GC, LC, MS and spectroscopy webinars.</blockquote><h5>1. Separation Science/SCIEX: Quantitative and Qualitative Solutions for Large-Panel Pesticide Assays using SCIEX Triple Quad and QTRAP Systems</h5><ul><li>Tuesday, June 10, 2025, 15:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5204">Registration</a></li></ul>Explore different quantitative and qualitative strategies for the analysis of large pesticide panels in complex food and beverage matrices like tea and fruit juices.<h5>2. Thermo Fisher Scientific: Mastering Charged Aerosol Detection: Comprehensive Technical Insights</h5><ul><li>Tuesday, June 10, 2025, 17:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5231">Registration</a></li></ul>Discover how Charged Aerosol Detection can enhance scientific innovation and elevate your laboratory's analytical capabilities.<h5>3. Shimadzu Corporation: Unifying Data, Automating Analysis: Introducing The New LabSolutions CS</h5><ul><li>Wednesday, June 11, 2025, 08:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5235">Registration</a></li></ul>Discover Shimadzu’s new LabSolutions CS: a centralized, web-based platform for automated testing, data capture, and real-time monitoring to boost lab efficiency and compliance.<h5>4. Phenomenex: Optimizing Peptide Mapping Chromatographic Separation</h5><ul><li>Wednesday, June 11, 2025, 10:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5182">Registration</a></li></ul>Gain a clear understanding of critical attributes to consider when selecting a column for peptide mapping.<h5>5. Waters Corporation: Waters 2025 LC Symposium - Day 1 - Addressing Analytical Challenges in Advanced Therapeutics</h5><ul><li>Wednesday, June 11, 2025, 17:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5205">Registration</a></li></ul>Join experts as they discuss advanced LC strategies for complex therapeutics including SEC, Slalom Chromatography, and coupling LC with MS/MALS for biopharma characterization.<h5>6. Separation Science: Choosing the Correct Ionisation Technique for Successful Mass Spectrometry Experiments</h5><ul><li>Wednesday, June 11, 2025, 17:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5180">Registration</a></li></ul>Learn how to select the most suitable ionisation technique for your analyte and application to ensure accurate and reliable MS results.<h5>7. Agilent Technologies: The New Agilent Seahorse XF Flex Analyzer Takes Real Time Metabolic Analysis to the Third Dimension</h5><ul><li>Wednesday, June 11, 2025, 18:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5236">Registration</a></li></ul>Learn how Agilent’s Seahorse XF Flex analyzer enhances metabolic research in 3D models, with insights into assay optimization, data quality, and precision in organoids and tissue studies.<h5>8. Thermo Fisher Scientific: Live from the Lab: Solutions for Omics Research</h5><ul><li>Thursday, June 12, 2025, 10:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5115">Registration</a></li></ul>Expand your knowledge, network with experts, and discover how Thermo Scientific Orbitrap technology supports the power of omics research.<h5>9. Altium International/Agilent Technologies: Is 2D-LC the answer to highest resolution and more peak capacity?</h5><ul><li>Thursday, June 12, 2025, 11:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5248">Registration</a></li></ul>Boost your separations with 2DLC for faster, higher-resolution analysis with improved peak capacity and sensitivity—ideal for pharma, natural products, polymers, and forensic science.<h5>10. Separation Science/SCIEX: Expect the Unexpected – Climate Change and Emerging Mycotoxins in Cereals and Toddler Foods</h5><ul><li>Thursday, June 12, 2025, 15:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5216">Registration</a></li></ul>Explore a study that developed a highly sensitive LC-MS/MS method to detect multiple regulated and emerging mycotoxins in global cereals.<h5>11. Evosep Biosystems: Evosep Eno: A New Era of Speed, Scale and Robustness</h5><ul><li>Thursday, June 12, 2025, 16:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5218">Registration</a></li></ul>Learn how Evosep Eno simplifies workflows and supports labs of all sizes with improved speed, scale, and robustness.<h5>12. Waters Corporation: Waters 2025 LC Symposium - Day 2 - GLP-1 Analog Development: Purification, Characterization, Release Testing</h5><ul><li>Thursday, June 12, 2025, 17:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5206">Registration</a></li></ul>Discover how LC and LC-UV/MS streamline peptide drug analysis. Experts from Neopharm Labs and Waters share case studies on purifying and profiling GLP-1 analogs like semaglutide and tirzepatide.

Webinars LabRulezLCMS Week 24/2025

In the week of June 9, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.<blockquote><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars">👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</a>👉 Search and filter in the largest global database with over 4 500 GC, LC, MS and spectroscopy webinars.</blockquote><h5>1. Shimadzu Corporation: Unifying Data, Automating Analysis: Introducing The New LabSolutions CS</h5><ul><li>Wednesday, June 11, 2025, 08:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5235">Registration</a></li></ul>Discover Shimadzu’s new LabSolutions CS: a centralized, web-based platform for automated testing, data capture, and real-time monitoring—designed to boost lab efficiency and ensure compliance.<h5>2. Separation Science: Choosing the Correct Ionisation Technique for Successful Mass Spectrometry Experiments</h5><ul><li>Wednesday, June 11, 2025, 17:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5180">Registration</a></li></ul>Join this expert-led presentation and Q&amp;A to learn how to select the most suitable ionisation technique for your analyte and application, ensuring accurate and reliable MS results.<h5>3. Agilent Technologies: Characterization in Cosmetics: Nano-Objects ISO 19590:2024, Raw Material &amp; Fragrance Allergens</h5><ul><li>Thursday, June 12, 2025, 15:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5237">Registration</a></li></ul>Master compliance and sustainability in cosmetics with advanced tools like GC/TQ, spICP-MS, and Raman SORS. Learn how to test raw materials, allergens, and nanoparticles—directly, reliably, and efficiently.

Webinars LabRulezGCMS Week 24/2025

In the week from June 9, the following webinars await you in the field of atomic and molecular spectroscopy and spectrometry<blockquote><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinars">👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</a>👉 Search and filter in the largest global database with over 4 500 GC, LC, MS and spectroscopy webinars.</blockquote><h5>1. Agilent Technologies: Robust Technological Solutions for Successful Heavy Metal Testing in Cannabis and Hemp Products by ICP-MS</h5><ul><li>Tuesday, June 10, 2025, 21:30 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4912">Registration</a></li></ul>This presentation explores the current state of heavy metal testing, focusing on recent innovations in ICP-MS and how they can be utilized to optimize testing protocols to meet the safety standards.<h5>2. Shimadzu Corporation: Unifying Data, Automating Analysis: Introducing The New LabSolutions CS</h5><ul><li>Wednesday, June 11, 2025, 08:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5235">Registration</a></li></ul>Discover Shimadzu’s new LabSolutions CS: a centralized, web-based platform for automated testing, data capture, and real-time monitoring—designed to boost lab efficiency and ensure compliance.<h5>3. Bruker: dSTORM Imaging of Neuronal GABAAR Spatial Patterning Regulated by GABA and Astrocytic Cholesterol</h5><ul><li>Wednesday, June 11, 2025, 17:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5181">Registration</a></li></ul>Join Dr. Zixuan Yuan as she explores how dSTORM imaging uncovers GABAAR spatial patterning in neurons, offering insights into synaptic dysfunction and neurodegeneration.<h5>4. Agilent Technologies: Characterization in Cosmetics: Nano-Objects ISO 19590:2024, Raw Material &amp; Fragrance Allergens</h5><ul><li>Thursday, June 12, 2025, 15:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5237">Registration</a></li></ul>Master compliance and sustainability in cosmetics with advanced tools like GC/TQ, spICP-MS, and Raman SORS. Learn how to test raw materials, allergens, and nanoparticles—directly, reliably, and efficiently.<h5>5. Anton Paar: Ensuring Food Safety: Optimizing Heavy-Metal Analysis</h5><ul><li>Thursday, June 12, 2025, 18:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4562">Registration</a></li></ul>The US FDA EAM 4.7 method outlines two sample digestion methodologies. This webinar will detail them and discuss how digesting samples at temperatures up to 250°C can enhance digestion efficiency.<h5>6. Agilent Technologies: What is new with ICP-MS Mass Hunter 5.3? Optimize your Method Data Analysis for a complete evaluation of the lab analysis</h5><ul><li>Thursday, June 12, 2025, 20:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5032">Registration</a></li></ul>Assure you have your methods optimized and understand the new features of Data Analysis in Mass Hunter 5.3 to ensure a complete evaluation of your analysis.

Webinars LabRulezICPMS Week 24/2025

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

News from LabRulezLCMS Library - Week 24, 2025

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 9th June 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you application notes by Agilent Technologies and Shimadzu and presentation by &nbsp;University of Liege / MDCW!<h3>1. Agilent Technologies: Indoor Air Analysis of Fluorotelomer Alcohols and Per- and Polyfluoroalkyl Substances</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.cz/labrulez-bucket-strapi-h3hsga3/an_fluorotelomer_alcohols_pfas_indoor_air_8890_7000e_5994_7706en_agilent_dc68baac68.pdf">Full PDF for download</a></li></ul>FTOHs are a subcategory of per- and polyfluoroalkyl substances (PFAS). FTOH compounds are primarily used as precursors for PFAS compounds, such as perfluorinated carboxylic acids (PFCA), including perfluorooctanoic acid (PFOA) and perfluorohexanoic acid (PFHxA). FTOH compounds are also used as raw materials in various industrial applications due to their water- and oil repellent characteristics.&nbsp;The presence of PFAS in air is an emerging concern, prompting the growth of air quality monitoring for PFAS in analytical chemistry. Existing methods like the United States Environmental Protection Agency (EPA) Other Test Method 50 (OTM-50) are used to detect volatile fluorinated compounds and short-chain PFAS compounds in air emissions from stationary sources.1 It is suspected that indoor air monitoring for PFAS will be a future focus area due to the use of PFAS in several household and consumer products.&nbsp;Volatile PFAS concentrations in ambient and indoor air can be low, requiring large volumes of air to be sampled. Thermal desorption, where air is drawn onto sorbent-filled tubes and later analyzed using GC/MS, is an ideal technique for large volume sampling. However, large amounts of the matrix are also drawn into the tubes and can present issues with both carryover and interference with analyte signals. GC/TQ largely eliminates these interferences and background noise while adding more specificity to detection. The elimination of noise also lowers detection limits, which is critical when determining low levels of PFAS in air.This application note introduces a thermal desorption GC/TQ method for determining FTOH in indoor air samples. The effectiveness of the analytical method is demonstrated through the successful analysis of several real-world indoor air samples.<h4>Experimental&nbsp;</h4><h5>Instrumentation&nbsp;</h5>The analysis of FTOH in indoor air was performed on an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8890+GC">8890 GC</a> with an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=7000E+GC%2FTQ">7000E GC/TQ</a>. The system was equipped with a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=8&amp;search=TD+Core+System">GERSTEL TD Core System</a> for TD sampling, which is optimized for ambient air analyses. GC and MS method parameters are detailed in Tables 1 to 3.<h4>Results and discussion&nbsp;</h4>FTOH standards were used to generate calibration data for the four target compounds. Analytes were evaluated at concentrations between 0.075 and 15 ng/tube. For simplicity, instrument detection limits were approximated as being 10-fold lower than the lowest calibration concentration. Calibration results are shown in Table 4.<h4>Conclusion&nbsp;</h4>This study demonstrates the utility of an Agilent 8890 GC with an Agilent 7000E GC/TQ for the analysis of FTOH compounds in indoor air samples. The GC/TQ system was equipped with a GERSTEL TD Core System, which enabled thermal desorption sampling of ambient air. This selective GC/TQ analytical method provided good reproducibility, recovery, and sensitivity. Real-world indoor air samples proved the necessity of methods like the one described in this work, as FTOH compounds were present in all samples.<h3>2. &nbsp;University of Liege / MDCW: ONE-STEP MICROWAVE-ASSISTED EXTRACTION AND DERIVATIZATION FOLLOWED BY COMPREHENSIVE TWO-DIMENSIONAL CHROMATOGRAPHY COUPLED WITH FLAME IONIZATION DETECTOR TO FAMEs ANALYSIS IN COMPLEX FOOD MATRICES</h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.cz/labrulez-bucket-strapi-h3hsga3/MDCW_Donatella_Ferrara_advanced_DA_PRESENTARE_194043d896.pdf">Full PDF for download</a></li></ul>A novel one-step microwave-assisted extraction and derivatization (MAED) method, combined with comprehensive two-dimensional gas chromatography with flame ionization detection (GC×GC–FID), has been developed to improve the analysis of fatty acid methyl esters (FAMEs) in complex food matrices. This innovative approach offers a rapid, energy-efficient, and environmentally friendly alternative to traditional methods, enabling simultaneous extraction and derivatization in just 15 minutes at 120 °C.Compared to conventional procedures (AOCS Ce2b-11 and Ce2c-11), the MAED method demonstrated equivalent accuracy and reliability in quantifying saturated, monounsaturated, and polyunsaturated fatty acids. Furthermore, GC×GC–FID significantly enhances separation, reduces co-elution, and increases sensitivity, providing structured chromatograms that facilitate more detailed FAME profiling—even without the need for mass spectrometry.The method also proves to be scalable and suitable for high-throughput applications: up to 48 samples can be processed per hour, with reduced solvent use and lower energy consumption. Notably, when analyzing complex samples such as mussels, GC×GC–FID identified over 80 FAME peaks—vastly outperforming conventional one-dimensional GC in resolution and nutritional characterization.Overall, MAED coupled with GC×GC–FID offers a greener, faster, and more practical solution for lipid analysis in food, enabling robust automation and supporting modern nutritional and food quality assessments. This makes it an attractive tool for both academic research and industrial quality control.<h3>3. Shimadzu: Simultaneous Analysis of 19 Organic Solvents and Additives in Lithium-Ion Battery Electrolytes Using GC-MS</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.cz/labrulez-bucket-strapi-h3hsga3/an_09_ssk_021_en_7661624084.pdf">Full PDF for download</a></li></ul>User Benefits:<ul><li>Simultaneous analysis of 19 organic solvents and additives reduces analytical time and improves efficiency.</li><li>This method is suitable for the characterization of commercial LIB electrolyte formulations.&nbsp;</li></ul>Lithium-ion batteries (LIBs) are eco-friendly, rechargeable energy storage devices that provide a sustainable alternative to fossil fuels. They are widely used to power electric vehicles and store energy generated from renewable sources, thereby reducing dependence on fossil fuels and lowering greenhouse gas emissions. As a result, LIBs play a essential role in the transition toward low-carbon and sustainable energy systems.&nbsp;The electrolytes in LIB consists of a lithium salt dissolved in a mixture of organic solvents and formulated with various functional additives. The organic solvents act as the vehicle for lithium-ion transport between electrodes, while the additives improve electrolytes stability, safety, and overall performance by enabling stable operation under various conditions. Both organic solvents and additives play an essential roles in the function and performance of LIBs.&nbsp;Accurate control of electrolytes composition is critical, as even minor impurities in the solvents or additives can result in significant safety risks and degradation of battery performance. Therefore, the analysis of electrolytes composition and its operational degradation products is essential for ensuring the safety, stability, and quality of LIBs throughout their development and production. In a previous Application News, the analysis of seven compounds used as organic solvents and additivesin LIB electrolytes using GC-FID was proposed.¹&nbsp;In this study, an analytical method of 19 organic solvents and additives commonly used in LIBs electrolytes was developed. The analysis was carried out using the Shimadzu Nexis GC2030 gas chromatograph coupled with the QP2020NX single quadrupole mass spectrometer. The developed method was successfully applied to commercial LIB electrolyte sample.<h4>Materials &amp; Method&nbsp;</h4><h5>Analytes and Analytical Conditions&nbsp;</h5>In this study, 19 target compounds mainly used as organic solvents and additives in the LIB electrolytes were selected and then analyzed for simultaneous analysis using SHIMADZU <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=GC-2030+">GC2030 </a>+ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=QP2020NX">QP2020NX </a>(Figure 1). All 19 standard compounds were obtained from TCI Chemical (Tokyo, Japan) and dichloromethane (DCM) was purchased from Tedia (Fairfield, OH, USA). Detailed analytical conditions of the instrument are shown in Table 1 and 2.<h4>Results&nbsp;</h4>The retention times and selected ions listed in Table 2 were determined by analyzing individual standard solutions under optimized GC-MS conditions. For quantification, the ions exhibiting the highest intensity and selectivity were selected. The SIM chromatograms of 19 organic solvents and additives are shown in Figure 2. The calibration curves for all standard compounds are excellent linearity, with correlation coefficients (R²) greater than 0.999 (Figure 3). The developed analytical method was successfully applied to actual LIB electrolyte samples, confirming the presence and quantifying the concentrations of three organic solvents (EC, EMC, DMC) and four additives (VC, FEC, PS, SN), as summarized in Table 3.<h4>Conclusions</h4>In this study, a simultaneous GC-MS method was developed and validated for the quantitative analysis of 19 organic solvents and additives in LIB electrolytes. The calibration curves demonstrated excellent linearity for all target compounds. Furthermore, The method was successfully applied to actual LIB electrolyte samples. This analytical method provides a reliable approach for lithium-ion battery research and quality assessment.

News from LabRulezGCMS Library - Week 24, 2025

Our Library never stops expanding. What are the most recent contributions to LabRulezICPMS Library in the week of 9th June 2025? Check out new documents from the field of spectroscopy/spectrometry and related techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT SPECTROSCOPY/SPECTROMETRY RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">LabRulezGCMS</a> libraries.</blockquote>This week we bring you technical note by Agilent Technologies, application note by LECO and brochure by Shimadzu!<h3>1. Agilent Technologies: Rapid, Simple, and High-Throughput Nutritional Phenotyping of Pulse Crops&nbsp;</h3>Evaluating nutrients using the Agilent <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?manufacturerItems=1&amp;search=Cary+630+FTIR">Cary 630 FTIR spectrometer</a><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.cz/labrulez-bucket-strapi-h3hsga3/te_cary630_crop_analysis_5994_8264en_agilent_1_68a6771f20.pdf">Full PDF for download</a></li></ul>Pulse crops (such as chickpeas, lentils, and dry peas) are high in nutritional content, including plant-based protein, low-digestible carbohydrates, and many micronutrients.1,2 Pulse crops are therefore a foundational focus in agriculture, with breeding programs requiring optimized workflows to improve turnaround times and nutritional quality. Furthermore, the identification of quantitative trait loci (QTL) and gene pathways for use in pulse crop breeding requires extensive amounts of phenotypic data.3,4 Workflow optimization is key to ensure lower costs and rapid data acquisition, and therefore, the potential for more efficient crop generation. Compared to traditional methods of nutritional phenotyping, high-throughput phenotyping (HTP) aims to be less expensive, simpler to use in the field, and can provide significantly more data for predictive decision making.&nbsp;FTIR spectroscopy has emerged as a highly promising, high-throughput method for nutritional phenotyping of pulse crops. FTIR requires minimal labor and sample preparation with rapid turnaround time (one to two minutes). This is in contrast to the complexity, expense, and longer turnaround times of traditional techniques such as GC/MS or enzymatic methods. Moreover, sample destruction is greatly reduced in FTIR, better facilitating reruns when required.5,6&nbsp;Studies have shown that the Agilent <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?manufacturerItems=1&amp;search=Cary+630+FTIR">Cary 630 FTIR spectrometer</a> (Figure 1) can successfully be used for pulse crop phenotyping, providing a simple, high-throughput, and low-cost means of obtaining phenotypic data.5–8 Operation of the system is easy and intuitive, and the need for data analysis and interpretation is minimal, reducing the requirement for skilled personnel and training cost.&nbsp;This overview demonstrates the promising value of the Cary 630 FTIR spectrometer in pulse crop phenotyping for improved breeding program workflows. When combined with an Agilent Cary 630 FTIR diamond attenuated total reflectance (ATR) module, this spectrometer was successfully used to robustly and reliably predict protein quality and digestibility, as well as fatty acid and starch composition, in pulse crops.<h4>Quantification model development for nutritional phenotyping in pulse crops (selected examples)&nbsp;</h4><h5>Protein quality and digestibility in chickpea, dry pea, and lentil flours&nbsp;</h5>Pulse crops are an increasingly popular source of plant-based protein. Therefore, protein quality and digestibility are key phenotypic traits targeted by breeding programs. Pulse crops are known to be low in sulfur-containing amino acids (SAAs) L-methionine and L-cystine.9 To improve nutritional content, there is a focus on producing varieties that are higher in SAAs. In addition, breeding programs require data on protein digestibility, or the fraction of protein that can be digested to release essential amino acids. Digestibility is influenced by secondary structures (alpha and beta sheets), with a lower fraction of beta sheets tied to higher digestibility.10&nbsp;Typical methods for amino acid analysis often require two to three days for sample digestion followed by quantification using HPLC. Digestibility is generally determined using the PDCAAS assay, which involves extensive sample preparation and expensive laboratory procedures. These analysis techniques require highly trained personnel and create bottlenecks in breeding programs that prevent high-throughput data acquisition.&nbsp;The use of a Cary 630 FTIR spectrometer was demonstrated to be a successful and efficient approach for analyzing protein, including SAAs and digestibility. Multivariate models for protein analysis show good predictive accuracy and fit (R2 ≥ 0.815; Table 1).7 Additionally, t-tests revealed no significant differences between actual and predicted protein and SAA concentrations (α = 0.05).7<h4>Conclusion&nbsp;</h4>With the increasing worldwide demand for pulse crops, nutritional phenotyping of these food sources is vital to ensure efficient and effective breeding programs. Furthermore, with the advent of molecular breeding technologies (for example, marker-assisted backcrossing and genome-wide association studies), there is a need for the efficient collection of large phenotypic datasets. However, traditional phenotyping methods often require complex and time-consuming workflows that involve expensive equipment and chemicals. This leads to low-throughput results that are not suitable to the needs of pulse breeding programs.&nbsp;Fourier-transform infrared (FTIR) spectroscopy is emerging as a promising alternative to these traditional methods. The Agilent Cary 630 FTIR spectrometer is designed to deliver high-throughput results in an ultra-compact, affordable, and simple-to-use package. Operation requires little to no technical training, and analysis is made simple with the powerful MicroLab software, which includes visually guided workflows and color-coding for rapid and easy interpretation of results.&nbsp;Studies have shown that the Cary 630 FTIR can successfully analyze and predict nutritional phenotypic traits in pulse crops, including proteins 7,8, fatty acids5 , and starches6 .By implementing more rapid and cost-effective analyses into workflows with a Cary 630 FTIR spectrometer, breeding programs have the potential to accelerate genomic discoveries and decrease generation times. Moreover, these solutions can also provide opportunities for the expansion of programs into under-resourced countries for improved nutritional gains.<h3>2. LECO: Determination of Carbon and Nitrogen in Carbon Black and Graphite&nbsp;</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.cz/labrulez-bucket-strapi-h3hsga3/CN_928_CN_CARBON_BLACK_GRAPHITE_203_821_684_c2224fa8be.pdf">Full PDF for download</a></li></ul>Carbon black is a material produced by the incomplete combustion or thermal decomposition of petroleum products such as ethylene cracking tar, vegetable matter, or other hydrocarbons under controlled process conditions. Carbon black is used as a reinforcing filler in tires, as well as in belts, hoses and other non-tire rubber products. It is used as a color pigment in paints, plastics, coatings, and printing inks. The total Carbon content of Carbon black is a requirement for the calculation and reporting of Carbon dioxide emissions. It can also be used in calculations to estimate the yield of the process. Determining Nitrogen content helps Carbon black manufacturers ensure the quality and consistency of Carbon black production. Nitrogen levels are used in the optimization of the production process and are an indicator of the presence of desirable char structures.&nbsp;Graphite is a crystalline form of the element Carbon, consisting of stacked layers of graphene. It is a stable form of Carbon that exists in nature, or it can be synthetically produced. Graphite has many applications in our daily lives including its use in pencils, lubricants, electrodes, batteries, and Carbon fiber. The determination of Carbon content in graphite is used to determine the purity of graphite materials and is a general indicator of the quality and material properties, including electrical conductivity and lubrication capabilities. Carbon determination is also used by graphite producers to monitor and optimize the graphitization process to ensure the desired graphite quality and material properties. Nitrogen determination in graphite materials provides insight into the material's catalytic potential for use in fields such as energy conversion and environmental protection.<h4>Instrument Model and Configuration&nbsp;</h4>The LECO <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?manufacturerItems=25&amp;search=CN928">CN928</a> is a macro combustion Carbon and Nitrogen determinator that utilizes a pure Oxygen environment in a high-temperature horizontal ceramic combustion furnace, utilizing ceramic boats designed to handle macro sample masses. A thermoelectric cooler removes moisture from the combustion gases before they are collected in a ballast. The gases equilibrate and mix in the ballast before a representative aliquot (3 cm3 or 10 cm3 volume) of the gas is extracted and introduced into a flowing stream of inert carrier gas (Helium or Argon) for analysis. The aliquot of gas is carried through a heated reduction tube, filled with Copper, to convert Nitrogen Oxide combustion gas species (NOx) to Nitrogen (N2). The aliquot gas is then carried to a non-dispersive infrared (NDIR) cell for the detection of Carbon (as CO2) and a thermal conductivity cell (TC) for the detection of Nitrogen (N2).Thermal conductivity detectors work by detecting changes in the thermal conductivity of the analyte gas compared to a reference/carrier gas. The greater the difference between the thermal conductivity of the carrier gas and the analyte gas, the greater the sensitivity of the detector. The CN928 supports either the use of Helium or Argon as the instrument's carrier gas. When used as a carrier gas, Helium provides the highest sensitivity, and the best performance at the lower limit of the Nitrogen range. The thermal conductivity difference between Argon and Nitrogen is not as great as the thermal conductivity difference between Helium and Nitrogen, therefore the detector is inherently less sensitive when using Argon as a carrier gas.&nbsp;The LECO CN928 offers the additional advantage of utilizing either a 10 cm3 aliquot loop or a 3 cm3 aliquot loop within the instrument's gas collection and handling system. The 10 cm3 aliquot loop optimizes the system for the lowest Nitrogen range and provides the best precision. The 3 cm3 aliquot loop extends reagent life expectancy by approximately three-fold when compared to the 10 cm3 aliquot loop, while providing the lowest cost-per-analysis with minimal impact on practical application performance.&nbsp;Note: When changing carrier gas type, the flow needs to be adjusted following instructions provided in the 928 Series Operator's Instruction Manual. The aliquot loop size is changed by selecting the desired aliquot loop size in the software's Method Parameters.<h4>TYPICAL RESULTS</h4>Data was generated utilizing a linear, full regression calibration for Carbon determination and a linear, force through origin calibration for Nitrogen determination, using fractional masses (0.17 g to 0.30 g) of LECO 502-642 (Lot 1020) LCRM Phenylalanine (65.45% C, 8.46% N). The calibrations were verified using LECO 502-896 (Lot 1007) LCRM EDTA (41.14% C, 9.59% N). Carbon black samples were dried at ~125 °C for at least one hour prior to analysis in accordance with ASTM D7633. Graphite samples were dried at ~105 °C for one hour prior to analysis. Dried samples were stored in a desiccator until used for analysis (within 24 hours). Samples were weighed and analyzed at ~0.20 grams.<h3>3. Shimadzu: Tabletop Precision Universal Testing Machines - AUTOGRAPH AGS-V Series</h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.cz/labrulez-bucket-strapi-h3hsga3/c224_e128_561994c42e.pdf">Full PDF for download</a></li></ul>The Shimadzu AUTOGRAPH AGS-V Series represents a new generation of tabletop precision universal testing machines, engineered for safer, more efficient, and higher-quality materials testing. Drawing on over a century of experience in testing machine innovation, Shimadzu designed this series with advanced safety features, intuitive usability, and cutting-edge performance to meet the evolving needs of modern laboratories and production environments.Key safety innovations include a high-durability protection cover, intelligent crosshead with collision detection, and multiple interlock and emergency stop functions—ensuring operator safety even during complex setups and adjustments. The intuitive touchscreen controller allows users to perform standard tensile, compression, and bending tests directly, with results easily saved to USB, while voice-guided operation and customizable audio feedback help reduce operator error.With a high-speed data sampling rate of 5 kHz and a test force accuracy guaranteed down to 1/1000 of load cell capacity, the AGS-V Series delivers superior precision and reliability across an exceptionally wide range of test conditions and materials. The system supports a wide range of extensometers, non-contact video strain measurement, and temperature-controlled testing, making it ideal for industries ranging from aerospace and automotive to food and pharmaceuticals.Complemented by TRAPEZIUM X-V software, users benefit from an intuitive visual workflow, automated reporting with synchronized video evidence, and seamless integration with LabSolutions™ for regulatory compliance. Combined with versatile accessories and scalable options, the AUTOGRAPH AGS-V Series ensures laboratories are equipped for high-throughput, high-accuracy mechanical testing—today and into the future.

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