News from LabRulezGCMS Library - Week 19, 2025

News from LabRulezLCMS Library - Week 19, 2025

<p><strong>The goal of this study was to develop and validate a sensitive and reliable analytical method for determining selected hydroxy derivatives of polycyclic aromatic hydrocarbons (OH-PAHs) in wastewater using gas chromatography-ion trap mass spectrometry (GC-ITQ-MS). Given the toxicological significance of OH-PAHs, the research aimed to optimize each stage of the analytical workflow—from extraction and derivatization to detection.</strong></p><p>The method was tailored to environmental samples and validated on real wastewater from the Płaszów treatment plant in Krakow. It enabled accurate quantification of OH-PAHs at nanogram-per-liter levels and also included a stability assessment of these compounds in the aqueous phase, revealing substantial degradation within hours.</p><blockquote><h4><strong>The original article</strong></h4><h4><a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176"><strong>Development of GC-ITQ-MS chromatographic system for the identification of hydroxy derivatives of polycyclic aromatic hydrocarbons in wastewater</strong></a></h4><p>Justyna Pamuła, Elżbieta Sochacka-Tatara, Katarzyna Styszko&nbsp;</p><p>Journal of Chromatography A, Volume 1752, 2025, 465969</p><p><a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1016/j.chroma.2025.465969">https://doi.org/10.1016/j.chroma.2025.465969</a></p><h6>licensed under <a target="_blank" rel="noopener noreferrer" href="https://creativecommons.org/licenses/by/4.0/"><strong>CC-BY 4.0</strong></a></h6></blockquote><p><strong>Selected sections from the article follow. Formats and hyperlinks were adapted from the original.</strong></p><p>Humans have a significant impact on both the animate and inanimate nature, with consequences that include loss of biodiversity, climate change, urbanization, industrial development, and environmental pollution. Human activities continuously contribute to the release of increasing amounts of pollutants into the environment. The growing number of chemical compounds poses a threat to natural ecosystems and, more importantly, to human health and life [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0001"><span>1</span></a>]. Among these pollutants are polycyclic aromatic hydrocarbons (PAHs). Incomplete combustion processes are the primary source of PAHs emissions into the environment [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0002"><span>2</span></a>]. Research by global scientists indicates that the total estimated global emission of PAHs into the atmosphere comes from biofuels (56.7 %), with forest fires contributing 17.0 %. Other significant sources include the use of consumer products (6.9 %), car exhaust fumes (4.8 %), and combustion of household coal (3.7 %). Industrial activities contribute &lt;10 % of global PAH emissions, with coke production being the largest industrial source at 3.6 %. In particular, the volume of PAH emissions is positively correlated with gross domestic product (GDP) and negatively with average income [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0003"><span>3</span></a>]. Globally, biofuel combustion is the main source of PAHs, especially in countries with low GDP per capita such as India and China, where straw and wood are burnt for heat energy in rural areas [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0004"><span>4</span></a>]. In urbanized areas, PAHs are primarily emitted from automobile exhaust fumes and industrial activities [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0005"><span>5</span></a>].</p><p>PAHs are present in all elements of the environment: water, soil, air, and food, allowing them to easily enter the human body [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0002"><span>2</span></a>,<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0006"><span>6</span></a>]. PAHs have been an important focus in environmental pollution research for many years due to some being highly carcinogenic or mutagenic [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0007"><span>7</span></a>]. According to the International Agency for Research on Cancer (IARC), the most hazardous of the unsubstituted PAHs is benzo(a)pyrene, the only PAH classified as a group 1 human carcinogen [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0008"><span>8</span></a>]. Consequently, benzo(a)pyrene is commonly analyzed in the environment as a marker of carcinogenic risk associated with PAHs.</p><p>PAHs are ubiquitous in the environment, leading to human exposure through skin contact, food ingestion, and inhalation [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0002"><span>2</span></a>,<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0009"><span>9</span></a>] Once in the body, PAHs are transported through the bloodstream to tissues and organs. Due to their lipophilicity, they accumulate in adipose tissue, with their metabolism occurring mainly in the liver and bile ducts. PAH metabolites in the form of hydroxy derivatives (OH-PAHs) are excreted from the body within a few days [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0010"><span>10</span></a>]. OH-PAHs with lower molecular weight (fewer than four benzene rings) are excreted primarily in urine, while those with higher molecular weight (four or more rings) are mainly excreted primarily through bile and feces [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0011"><span>11</span></a>]. PAH metabolites are used as biomarkers of PAH exposure [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0012"><span>12</span></a>]. There is a need for improved sample preparation techniques that enable more efficient extraction of OH-PAH from the sample matrix. Innovative methods are proposed, including thin-film SPME membranes using polydimethylsiloxane (PDMS) in combination with Ordered Mesoporous Carbon [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0013"><span>13</span></a>], electromembrane extraction [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0014"><span>14</span></a>], or magnetic sorption on Fe<sub>3</sub>O<sub>4</sub>@HCP-BA, a magnetic composite consisting of magnetite (Fe<sub>3</sub>O<sub>4</sub>) and hyper-cross-linked boronic acid polymer (HCP-BA) [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0015"><span>15</span></a>].</p><p>OH-PAHs have the potential to be more dangerous to living organisms than their parent compounds [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0012"><span>12</span></a>]. Despite the potential risk of OH-PAHs, there is limited research on their occurrence in the environment. Selected OH-PAHs have been determined in lake water [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0016"><span>16</span></a>], surface soil [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0017"><span>17</span></a>], and air particulates [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0018"><span>18</span></a>]. The only available study on OH-PAH concentration levels in wastewater is by Pojan and Marcomini, which used liquid chromatography coupled with a mass spectrometer [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0019"><span>19</span></a>].</p><p>This research aimed to develop and validate a methodology for determining selected hydroxy derivatives of PAHs in wastewater using gas chromatography coupled with a mass spectrometer. Using the analytical method, the stability of these compounds in the sewage matrix was assessed, and preliminary tests were conducted on municipal sewage to determine the concentrations of OH-PAHs. Additionally, the research investigated the stability of selected OH-PAHs in wastewater.</p><h4><strong>2. Experimental</strong></h4><h5><strong>2.3. Instrumentation</strong></h5><p>The gas chromatograph coupled with a mass spectrometer (GC-ITQ-MS) used was a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=3&amp;search=TRACE+1310"><strong>TRACE 1310</strong></a> Thermo Scientific gas chromatograph equipped with a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1747"><strong>Thermo Scientific TG-SQC capillary chromatographic colum</strong></a>n, 30 m in length, with an internal diameter of 0.25 mm, and a film thickness of 0.25 µm (filled with 5 % phenyl and 95 % methylpolysiloxane). The setup also included an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=3&amp;search=ITQ+900"><strong>ITQ 900</strong></a> Thermo Scientific ion trap mass spectrometer and a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/422"><strong>Tri Plus RSH Thermo Scientific autosampler</strong></a>. The identification of hydroxy derivatives of PAHs was enabled by the mass spectrometer. Destructive ionization of molecules was achieved using an EI energy of 70 eV. A single standard was subjected, after derivatization, to multiple analyzes in the SCAN detector mode, allowing the scanning of the entire mass spectrum range from 50 to 500 <i>m/z</i>. This enabled the determination of spectra for the compounds studied, which had been converted into volatile derivatives using BSTFA and MTBSTFA. Subsequently, optimal column operating conditions were selected to allow for the chromatographic separation of the OH-PAHs mixture.</p><h4><strong>3. Result and discussion</strong></h4><h5><strong>3.2. Selection of chromatographic separation parameters</strong></h5><p>The separation of compounds on a chromatographic column is determined by the operating conditions of the column. The selection of the appropriate chromatography temperature depends on the boiling points of the components of the mixture being separated [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0023"><span>23</span></a>]. According to <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#tbl0001"><span>Table 1</span></a>, the range of boiling points of the compounds is 105 °C. In such cases, isothermal chromatography does not produce the desired results, leading to asymmetric, broad, and asymmetric peaks. Therefore, the column temperature programming is used. This involves maintaining a constant temperature for a certain period, then increasing it at a preset rate, and maintaining the new temperature for a specified duration.</p><p>The development of optimal chromatographic separation began with the introduction of GC operating parameters presented in the work of Campo and colleagues [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0024"><span>24</span></a>]. The authors identified 12 hydroxy derivatives of PAHs in urine samples, including all those that were the subjects of the current investigation. However, the obtained chromatogram was not satisfactory, prompting the development of a new separation method for two derivatization reagents, BSTFA and MTBSTFA. The exact operating parameters of the GC are presented in Table A.1., in the appendices.</p><div><p>The analytical method was developed to enable qualitative and quantitative determination of hydroxy derivatives of PAHs in sewage. Real sewage is a mixture of many dissolved chemical compounds, which, when analyzed using GC-ITQ-MS, cause significant noise in the chromatogram. Given the high noise level when the analysis in SCAN mode, it was decided to develop a selective ion monitoring (SIM) method. This detector operating mode allows recording the current intensity only for selected ions with characteristic masses. The SIM method is particularly useful when a given compound is present in small amounts and when the matrix effect is significant, resulting in a reduced detection sensitivity. Based on the information in <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#tbl0002"><span>Table 2</span></a> and the retention times of individual compounds, three time intervals were introduced during ion monitoring, increasing the sensitivity of the method. <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#fig0001"><span>Fig. 1</span></a> shows chromatograms for wastewater enriched with standard solutions of selected OH-PAHs at a concentration of 3 µg/ml using the MTBSTFA derivatizer.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Journal_of_Chromatography_A_Volume_1752_2025_465969_Fig_1_Chromatograms_for_wastewater_enriched_with_OH_PAH_standards_for_the_SIM_method_using_the_MTBSTFA_derivatization_reagent_67d468ce41.jpg" alt="Journal of Chromatography A, Volume 1752, 2025, 465969: Fig. 1. Chromatograms for wastewater enriched with OH-PAH standards for the SIM method using the MTBSTFA derivatization reagent." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Journal_of_Chromatography_A_Volume_1752_2025_465969_Fig_1_Chromatograms_for_wastewater_enriched_with_OH_PAH_standards_for_the_SIM_method_using_the_MTBSTFA_derivatization_reagent_67d468ce41.jpg 245w," sizes="100vw" width="2667" height="1601"></p><h4><strong>4. Conclusion</strong></h4><p>In this study, a GC-ITQ-MS-based method was developed and validated for the determination of selected hydroxy derivatives of polycyclic aromatic hydrocarbons (OH-PAHs) in wastewater. The method was optimized for solid-phase extraction (SPE) and derivatization, ensuring high recoveries and selectivity. The results confirmed that MTBSTFA is an effective derivatization reagent for all analyzed OH-PAHs, with optimized reaction conditions enhancing sensitivity. The method was successfully applied to real wastewater samples, identifying OH-PAHs in concentrations ranging from several to several hundred ng/L.</p><div><p>A comparative analysis with the HPLC-MS method of Pojana and Marcomini [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0019"><span>19</span></a>] revealed key differences in analytical performance (<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#tbl0005"><span>Table 5</span></a>). GC-ITQ-MS demonstrated superior sensitivity (lower LOD and LOQ values) and selectivity due to the derivatization step and the use of Selective Ion Monitoring (SIM) mode. Additionally, the method allowed for the detection of a broader range of OH-PAHs in real wastewater samples. In contrast, HPLC-MS provided a simplified workflow by eliminating the need for derivatization, though at the cost of higher detection limits and a narrower range of detectable OH-PAHs.</p><p>An important aspect of this research was the assessment of OH-PAH stability in wastewater, which highlighted significant degradation within the first few hours after sampling. These findings underscore the importance of immediate sample processing and appropriate storage conditions to prevent data distortion.</p><p>The developed GC-ITQ-MS method offers a robust and sensitive tool for OH-PAH monitoring, significantly contributing to environmental analytical chemistry. Given the potential health and ecological risks posed by OH-PAHs, further research should focus on their behavior in wastewater treatment processes and their environmental fate. This work provides a solid foundation for future studies on OH-PAHs and their impact on aquatic ecosystems.</p></div></div>

Development of GC-ITQ-MS chromatographic system for the identification of hydroxy derivatives of polycyclic aromatic hydrocarbons in wastewater

Assessment of LC-QTOF-MS data independent acquisition for quantification and suspect screening of pesticides in agriculture impacted water samples

AFM-optimized single-cell level LA-ICP-MS imaging for quantitative mapping of intracellular zinc concentration in immobilized human parietal cells using gelatin droplet-based calibration

<p><strong>In the week of May 12, 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. SCIEX: Fundamentals of accurate mass</strong></h5><ul><li>Tuesday, May 13, 2025, 10:30 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5074">Registration</a></li></ul><p>Join SCIEX specialists to learn about theory behind accurate mass and how accurate mass works.</p><h5><strong>2. Waters Corporation: Back to Basics Advanced - Pharma Impurities: Detection (UV/MS)</strong></h5><ul><li>Tuesday, May 13, 2025, 15:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4776">Registration</a></li></ul><p>Choose the correct LC gradient system for your challenging separations. Select the suitable (combination of) detectors required for sensitivity, specificity and linearity.</p><h5><strong>3. Bruker: Rapid DART-MS Screen for Benzodiazepines in Urine Enabled by DART (Direct Analysis in Real Time) Technology</strong></h5><ul><li>Tuesday, May 13, 2025, 19:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5026">Registration</a></li></ul><p>Discover the power of DART-MS in providing selective results, reducing false positives and negatives, and enabling rapid addition of new target analytes.</p><h5><strong>4. Agilent Technologies: Antibiotics and mycotoxins testing</strong></h5><ul><li>Wednesday, May 14, 2025, 06:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4867">Registration</a></li></ul><p>This live webinar delves into the detection of antibiotics, including Anthelmintics, Aminoglycosides, Cephalosporins, and Beta-lactams, as well as mycotoxins in dairy products using LC/MS/MS.</p><h5><strong>5. Mettler-Toledo: Reduce Your pH Measurement Errors for Consistent Results</strong></h5><ul><li>Wednesday, May 14, 2025, 09:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5088">Registration</a></li></ul><p>In our upcoming live webinar, we will unveil the hidden culprits that may sabotage your pH measurements. You’ll learn to identify and tackle potential error sources, transforming your approach to pH testing.</p><h5><strong>6. Phenomenex: Alternative Method Parameters for PFAS Short Chain Detection</strong></h5><ul><li>Wednesday, May 14, 2025, 10:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5097">Registration</a></li></ul><p>In this webinar, we will address the main LC-MS/MS solutions for the determination of short chain PFAS compounds alone or in combination with the analysis of medium- to long-chain PFAS.</p><h5><strong>7. Waters Corporation: Introduction to Multi-Angle and Dynamic Light Scattering: Applications in Biotherapeutics</strong></h5><ul><li>Wednesday, May 14, 2025, 15:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4916">Registration</a></li></ul><p>Learn the basics of SEC-MALS and DLS, with applications in characterizing monoclonal antibodies, conjugated proteins, and adeno-associated viruses (AAVs).</p><h5><strong>8. C&amp;EN/Metrohm: What’s New in Titration: New Techniques, Applications and Integration</strong></h5><ul><li>Wednesday, May 14, 2025, 19:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5087">Registration</a></li></ul><p>Join experts as they showcase the latest sensors, share real-world case studies and explain how flexible, integrated systems can transform your lab’s productivity.</p><h5><strong>9. Waters Corporation: 8th Annual Swiss BASF and Waters Workshop on Extractables and Leachables/Food Contact Materials</strong></h5><ul><li>Thursday, May 15, 2025, 09:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4772">Registration</a></li></ul><p>Waters AG and BASF Schweiz AG have the pleasure to invite you to the Annual Swiss Networking Workshop on Extractables and Leachables/Food Contact Materials.</p><h5><strong>10. Wiley: Navigating the Challenges of Contaminants: Advanced Solutions and Insights on Microplastics and PFAS</strong></h5><ul><li>Thursday, May 15, 2025, 10:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5102">Registration</a></li></ul><p>Join us to explore key challenges of emerging contaminants like microplastics and PFAS. Discover advanced solutions for compliance and safety in water analysis and environmental monitoring.</p><h5><strong>11. Altium International/Agilent Technologies: Say Hello to the HPLC Made for Tomorrow</strong></h5><ul><li>Thursday, May 15, 2025, 11:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5099">Registration</a></li></ul><p>We invite you to a series of webinars with Agilent Technologies, where we will present the latest solutions in liquid chromatography and other important topics, tailored to the needs of modern laboratories.</p><h5><strong>12. SCIEX: Quantitative data processing techniques</strong></h5><ul><li>Thursday, May 15, 2025, 11:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5083">Registration</a></li></ul><p>Uncover advanced tips for efficient and accurate quantitative data processing in SCIEX OS software.</p><h5><strong>13. Metrohm: Ion chromatography: Principles and applications</strong></h5><ul><li>Thursday, May 15, 2025, 16:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5069">Registration</a></li></ul><p>In this webinar, Dr. Julius Fürsch and Dr. Katinka Ruth will introduce the fundamentals of IC, including the separation mechanisms and the general setup of an ion chromatography system.</p><h5><strong>14. Agilent Technologies: Mastering Automation in Dissolution Workflows</strong></h5><ul><li>Thursday, May 15, 2025, 16:30 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5112">Registration</a></li></ul><p>Join us for this webinar as we explore the latest regulations on automation and provide expert guidance on implementing new automation steps tailored to your laboratory's needs.</p><h5><strong>15. Wiley: State of the Art Oxylipin Analysis and New Developments</strong></h5><ul><li>Thursday, May 15, 2025, 17:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5101">Registration</a></li></ul><p>The webinar explains how to start method development for oxylipin analysis on an LC coupled to a triple quadrupole (QqQ) MS instrument and a high-resolution mass spectrometer (QTof).</p><h5><strong>16. SelectScience/Thermo Fisher Scientific: Streamline your genomic workflows for seamless and accurate quantification with Nanodrop Ultra</strong></h5><ul><li>Thursday, May 15, 2025, 17:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5098">Registration</a></li></ul><p>Join this educational webinar where Senior Product Manager, Patrick Brown from Thermo Fisher Scientific will introduce the NanoDrop™ Ultra family of instruments for nucleic acid quantification.</p><h5><strong>17. Waters Corporation: Enhance Your Analytical Scale Purification Performance with Advanced Prep Solution</strong></h5><ul><li>Thursday, May 15, 2025, 17:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4953">Registration</a></li></ul><p>In this insightful webinar, discover how to elevate your analytical scale purification performance with the new Waters Analytical Scale Purification System.</p><h5><strong>18. Waters Corporation: Oligonucleotides</strong></h5><ul><li>Thursday, May 15, 2025, 19:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4817">Registration</a></li></ul><p>Learn how USP and Waters address quality challenges in oligonucleotide therapeutics. Experts will share tools for reliable analysis and mRNA sequencing in a single LC-MS run.</p>

Webinars LabRulezLCMS Week 20/2025

<p><strong>In the week from May 12, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.</strong></p><blockquote><p><a target="_blank" rel="noopener noreferrer" href="https://gcms.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. Bruker: Enhancing Quality Control in Food and Feed Production</strong></h5><ul><li>Wednesday, May 14, 2025, 09:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5027">Registration</a></li></ul><p>Join us for an insightful online seminar where BRUKER and RETSCH will explore comprehensive QC solutions for food and feed production.</p><h5><strong>2. Waters Corporation: 8th Annual Swiss BASF and Waters Workshop on Extractables and Leachables/Food Contact Materials</strong></h5><ul><li>Thursday, May 15, 2025, 09:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4772">Registration</a></li></ul><p>Waters AG and BASF Schweiz AG have the pleasure to invite you to the Annual Swiss Networking Workshop on Extractables and Leachables/Food Contact Materials.</p><h5><strong>3. Wiley: Navigating the Challenges of Contaminants: Advanced Solutions and Insights on Microplastics and PFAS</strong></h5><ul><li>Thursday, May 15, 2025, 10:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5102">Registration</a></li></ul><p>Join us to explore key challenges of emerging contaminants like microplastics and PFAS. Discover advanced solutions for compliance and safety in water analysis and environmental monitoring.</p><h5><strong>4. LECO: GCxGC-MS: The Gold Standard Approach for Fragrance Allergens Analysis</strong></h5><ul><li>Thursday, May 15, 2025, 16:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4952">Registration</a></li></ul><p>This webinar will showcase how comprehensive two-dimensional gas chromatography is a must-have technology for quantifying fragrance allergens with high confidence.</p><h5><strong>5. Agilent Technologies: Ensuring Peak Performance: Comprehensive Guide to GC Column Care</strong></h5><ul><li>Thursday, May 15, 2025, 16:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4907">Registration</a></li></ul><p>Join us as we discuss proper column installation and handling for all Agilent GCs including the Intuvo 9000. We will also address the common modes of column degradation.</p>

Webinars LabRulezGCMS Week 20/2025

<p><strong>In the week from May 12, 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. Thermo Fisher Scientific: How to improve sensitivity in elemental and isotope ratio analysis with HR-ICP-MS</strong></h5><ul><li>Tuesday, May 13, 2025, 16:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5086">Registration</a></li></ul><p>Join us virtually for an insightful webinar where our specialists will present the benefits of the enhanced sensitivity with the Jet interface.</p><h5><strong>2. Bruker: Advance in Process Optimization and Control with NMR as Process Analytical Technology (PAT)</strong></h5><ul><li>Tuesday, May 13, 2025, 17:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4899">Registration</a></li></ul><p>Join us for an insightful webinar where industry experts will delve into the transformative impact of NMR and PAT on processing control.</p><h5><strong>3. NenoVision: Inside the Chip: Semiconductor Failure Analysis with AFM-in-SEM</strong></h5><ul><li>Tuesday, May 13, 2025, 18:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5118">Registration</a></li></ul><p>Discover how LiteScope’s integrated AFM-in-SEM technology allows precise in-situ electrical and topographical characterization of semiconductor structures down to the nanoscale.</p><h5><strong>4. Agilent Technologies: The Analysis of Petroleum and Petroleum Products with an Agilent ICP-MS system</strong></h5><ul><li>Tuesday, May 13, 2025, 21:30 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/3164">Registration</a></li></ul><p>The ease of organic solvent introduction in an Agilent ICPMS system and the optimization of the ICPMS system for petroleum analysis.</p><h5><strong>5. Bruker: Enhancing Quality Control in Food and Feed Production</strong></h5><ul><li>Wednesday, May 14, 2025, 09:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5027">Registration</a></li></ul><p>Join us for an insightful online seminar where BRUKER and RETSCH will explore comprehensive QC solutions for food and feed production.</p><h5><strong>6. Anton Paar: Understanding Your Materials: How X-ray Diffraction Reveals the Secrets of Cement, Concrete, and Mining Samples</strong></h5><ul><li>Wednesday, May 14, 2025, 09:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4951">Registration</a></li></ul><p>This session dives into how X-ray diffraction (XRD) helps uncover the composition of cement, concrete, and mining materials by analyzing their crystalline structure.</p><h5><strong>7. Bruker: Fluorescence Microscopy Webinars Enabling Light Sheet Imaging and Tissue Clearing in a Shared Facility</strong></h5><ul><li>Wednesday, May 14, 2025, 17:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5073">Registration</a></li></ul><p>Learn how our guest speaker uses different imaging techniques in an imaging facility.</p><h5><strong>8. SelectScience/Thermo Fisher Scientific: Streamline your genomic workflows for seamless and accurate quantification with Nanodrop Ultra</strong></h5><ul><li>Thursday, May 15, 2025, 17:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5098">Registration</a></li></ul><p>Join this educational webinar where Senior Product Manager, Patrick Brown from Thermo Fisher Scientific will introduce the NanoDrop™ Ultra family of instruments for nucleic acid quantification.</p><h5><strong>9. Agilent Technologies: Strategies to Improve the Precision and Accuracy of your Isotope Ratio Measurements</strong></h5><ul><li>Thursday, May 15, 2025, 20:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5028">Registration</a></li></ul><p>This webinar will provide some strategies and techniques to minimize the impact of these factors, ultimately enhancing the accuracy and precision of your isotope ratio measurements when using ICP-MS.</p>

Webinars LabRulezICPMS Week 20/2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 12th May 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 technical note by <strong>Agilent Technologies, </strong>application note by<strong> Shimadzu </strong>and<strong> </strong>poster by<strong> MDCW!</strong></p><h3><strong>1. Agilent Technologies: How Does Bleed Impact GC/MS Data and How Can It Be Controlled?</strong></h3><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/te_bleed_impact_gc_ms_data_5994_7586en_agilent_1_728100a153.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>Understanding column bleed&nbsp;</strong></h4><p>Column bleed remains one of the most commonly observed yet misunderstood aspects of mass spectrometry (MS) data. Bleed elevates chromatographic baselines and creates spectral interference, lowering the quality of and confidence in your data. To understand bleed, it must first be considered where the bleed originates. While columns come in a wide variety of phase types, the most commonly used columns today, such as the 1, 5, and 624, are categorized as wall-coated open tubular (WCOT) columns. These columns are composed of fused silica tubing (with varying internal diameters, measured in mm), internally coated with a thin film of stationary phase (with varying thicknesses, measured in μm), as shown in Figure 1. This coated stationary phase interacts with analytes and creates the selectivity and retention characteristics of the chromatography; but, these same characteristics are the origins of column bleed.</p><p>Column phases can be made from a wide variety of polarities of liquid polymers with a polysiloxane backbone. When heat is applied, the terminal end of the stationary phase polymer starts to bend back and attack itself, which is called "backbiting." Ring structures, which are thermodynamically stable, become liberated and increase the noise and raise the baseline, as shown in Figure 2. The process is then repeated. The higher the temperature provided, the faster the reaction is driven, which is why there is an increase in baseline at temperatures above 300 °C.&nbsp;</p><p>An increase in the rise of a baseline can be problematic for low signal-to-noise analytes, as peak integration can negatively impact data quality. Stable, flat baselines optimize the accuracy and repeatability of peak integration. When working with sensitive detectors, such as MS, an increase in the sensitivity of the detector also increases the background noise and bleed detection, causing excess column bleed to be detrimental to the sensitivity of trace level compounds.</p><h4><strong>Experimental</strong></h4><p>An Agilent<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=+8890+GC"><strong> 8890 GC</strong></a> coupled with a flame ionization detector (FID), and an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=5977B+GC%2FMSD+"><strong>5977 Series B GC/MSD </strong></a>were used to collect data. Data acquisition was performed using Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=OpenLab+ChemStation"><strong>OpenLab ChemStation</strong></a> and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=MassHunter+acquisition+software"><strong>MassHunter acquisition software</strong></a>. Additionally, an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=Intuvo+9000+GC"><strong>Intuvo 9000 GC</strong></a> coupled with an FID was used to collect data. <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=J%26W+DB-5Q"><strong>J&amp;W DB-5Q and J&amp;W&nbsp;HP‑5Q GC columns </strong></a>were compared to various conventional, commercially available 5ms GC columns.</p><h4><strong>Results and discussion&nbsp;</strong></h4><h5><strong>Comparisons of bleed profiles at upper temperature&nbsp;limits&nbsp;</strong></h5><p>To compare the thermal stability of the HP-5Q columns to conventional 5ms columns, columns were installed on an 8890 GC equipped with dual split/splitless inlets and dual FIDs, and experiments were done in tandem. After confirming that column connections were properly installed, free of leaks, and conditioned, the oven temperature was ramped up to temperatures of 330 and 340&nbsp;°C and held for 10 minutes each. Then, the oven temperature was ramped to a final temperature of 350&nbsp;°C (the programed MAOT of the column phases) and held for 30 minutes. As shown in Figure&nbsp;4, both the DB-5Q and HP-5Q maintained ultralow FID response at the upper temperature limits, both maintaining column bleed levels below 1.0 pA at 340 °C. Also, when operating the columns at 350 °C (the programmed maximum temperature) over a period of 10 hours, both the DB-5Q and HP-5Q maintained bleed levels below 2.0 pA, while the conventional 5ms columns X and Y had bleed levels at 10 and 4 pA respectively, demonstrating the increased thermal stability of the DB-5Q and HP-5Q GC columns.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>While column bleed is a normal phenomenon, there are ways to decrease its impact on the analysis and sensitivity of the detector being used. Improved column technology, with the introduction of the Agilent J&amp;W DB-5Q and HP-5Q GC columns, has provided an increase in thermal stability that dramatically reduces column bleed. The decrease in column bleed at high temperatures allows an increase in sensitivity of mass spectrometers, as the spectral interference from ions due to backbiting of column phase is reduced. This demonstrates that the DB-5Q and HP-5Q GC columns are optimal for use with sensitive detectors such as GC/MS, triple quadrupole GC/MS, and GC/Q-TOF.</p><h3><strong>2. MDCW: Group-type quantitation of hydrocarbons in aviation fuel using GC×GC–FID&nbsp;</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/2025_001_MDCW_ASTM_D8396_9a3aa6f3e5.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Accurate hydrocarbon composition of finished fuels, such as aviation fuel, is required to ensure quality control and to determine the effects of processes in fuel production. This has become even more important with the development of novel renewable fuels, such as sustainable aviation fuels (SAFs).</p><p>Here, we demonstrate the use of reverse fill/flush (RFF) flow-modulated GC×GC–FID and automated group-type data processing to provide fast and accurate quantitative information on hydrocarbon composition.</p><h4><strong>Experimental</strong></h4><ul><li><strong>Samples: </strong>A reference standard and reference blends of both diesel and aviation turbine fuel.&nbsp;</li><li><strong>GC×GC: </strong>Modulator: INSIGHT®-Flow reverse fill/flush (RFF) flow modulator (SepSolve Analytical); Modulation period (PM): 7.8 s. Carrier gas: H2.&nbsp;</li><li><strong>Column set: </strong>ASTM D8396 reverse phase column set (SepSolve Analytical, PN: OEM-SEP-COLKIT-10)&nbsp;</li><li><strong>FID:</strong> Total H2 flow (column &amp; fuel): 50 mL/min; Air flow: 350 mL/min: Makeup gas flow: 5 mL/min; Temperature: 300 °C.&nbsp;</li><li><strong>Software: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?search=ChromSpace%C2%AE+GC%C3%97GC+software"><strong>ChromSpace® GC×GC software</strong></a> for instrument control and data processing</li></ul><h4><strong>Results and discussion</strong></h4><h5><strong>Optimising the GC×GC separation&nbsp;</strong></h5><p>Separation was optimised using a custom column set and larger loop volume, enabling excellent separation of the key chemical classes (Figure 2).</p><p>The INSIGHT-Flow modulator used in this study has an adjustable sample loop (in the range of 25-250 μL) for greater flexibility in method development. The reference standard was analysed in replicate (n=10) to assess method repeatability and precision. The relative standard deviation (RSD) of the raw peak areas were all &lt;2%, while the calculated mass percent values were consistently within 0.5% of the known composition.&nbsp;</p><h5><strong>Group-type classifications&nbsp;</strong></h5><p>Group-type analysis of these key chemical classes was then performed on various fuels using the ‘stencil’ workflow in ChromSpace software (Figure 3). Once a stencil is created, it can be saved and applied to multiple data files in an automated batch sequence to generate area percent reports. This means that the method is then scalable across multiple GC×GC–FID platforms for fast classification. This proven workflow has already gained accredited status in a number of high-throughput environmental labs for the analysis of total petroleum hydrocarbons (TPH).</p><h4><strong>Conclusions</strong></h4><p>This poster has shown an end-to-end workflow for ASTM Method D8396, specifically:&nbsp;</p><ul><li>Proven reverse fill/flush modulation using the INSIGHT-Flow, a modulator in operation in numerous high-throughput labs across the world.&nbsp;</li><li>Optimal class separation with a tried-and-tested column set.&nbsp;</li><li>Fast, straightforward group-type data processing with ChromSpace software.&nbsp;</li><li>Doubled productivity with optional dual-channel GC<span>×</span>GC technology.&nbsp;</li><li>A retrofittable solution for all popular GCs, allowing existing systems to be upgraded to GC×GC capability</li></ul><h3><strong>3. Shimadzu: Analysis of Dechlorane Plus Residues in Environmental Water Using </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-TQ8050+NX"><strong>GCMS-TQ8050 NX</strong></a><strong> with Boosted Efficiency Ion Source(BEIS) and Long-Life Filament</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_03_gcmsms_566_en_93e41bdffc.pdf"><strong>Full PDF for download</strong></a></li></ul><p><strong>User Benefits:</strong></p><ul><li>The combination of the BEIS and long-life filament enables high sensitivity analysis while maintaining long-term stability.</li><li>The 13C-Dechlorane 602 is used as internal standard(IS) in the optimization method to avoid the interference of isotope IS with target components in MRM mode.</li></ul><p>Dechlorane Plus (DP) is a synthetic substance mainly used as an adhesive, sealant and flame retardant for polymers in the industrial field. Due to its strong persistence and bioaccumulation, there is a significant risk to human and environmental health. In 2018, the European Chemicals Agency (ECHA) identified it as a Substance of Very High Concern (SVHC), and in June 2021 proposed to add it to Appendix XVII of the REACH regulation to restrict it, proposing to ban the production and use of DPs and prohibit the production and launch on the market of goods with DP content equal to or greater than 0.1% (by weight). In May 2023, the Stockholm Convention on Persistent Organic Pollutants (POPs) listed DP in Appendix A. At the same time, DP is also included in China's List of new pollutants under Key Control (2023 version).&nbsp;</p><p>A method for the determination of residues of DPs in environmental water was established by using the Shimadzu <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-TQ8050+NX"><strong>GCMS-TQ8050 NX</strong></a> equipped with Boost Efficiency Ion Source and long-life filament. This application news provides an important analytical method for determine the residue levels of new pollutantsin environment with high sensitivity and good stability.</p><h4><strong>Quantitative Analysis</strong></h4><p>In the initial scheme, 13C-DP was used as the IS. However, due to the same retention time of 13C-DP and the target compound, the characteristic ions cause interference, resulting in a large calibration curve intercept and a high RF RSD (&gt;80%). Therefore, 13C-Dechlorane 602 is used as the IS instead. Its retention time differsfrom target DP, which helps avoid the interference.</p><h4><strong>Evaluation of Durability in Analysis of Standard Solution and Samples</strong></h4><p>The sample solution and 0.5 ng/mL standard solution were tested to evaluate the long-term durability of response. A total of 500 analyses of the sample and 80 analyses of standard solution were conducted. Fig.3 shows the durability test results of the standard solution. The horizontal axis shows the number of analyses, while the vertical axis shows the peak area ratio for each analysis number. The results indicate that the changes in peak area ratio and ion proportion were within ±20% of the average value (calculated from very beginning 20 injections).</p><h4><strong>Conclusion</strong></h4><p>A method for the determination of DP residues in environmental water was established by using the Shimadzu GCMS-TQ8050 NX combined with BEIS and long-life filament. The target compound exhibited good linearity in the concentration range of 0.2 to 50.0 ng/mL and the RF RSD of calibration curve was less than 15 %. The standard solution of 0.2 ng/mL was injected for 10 consecutive times to measure the LOD with results of 0.063 and 0.103 ng/mL. The durability of DP response was investigated by alternating test of sample solution and standard solution, and the peak area ratio in standard solution fluctuated within 20% in 500 injection of samples. The recovery rate of 1 ng/mL in blank samples was around 102 %. The method has high sensitivity and good repeatability and is suitable for the determination of DP residues in surface water, groundwater, industrial wastewater, and domestic sewage.</p>

News from LabRulezGCMS Library - Week 20, 2025

News from LabRulezLCMS Library - Week 20, 2025

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A novel monodisperse supermacroporous reversed-phase platform for comprehensive nucleic acid analysis across a broad size range

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Expanding the Evidence: New Data for More Reliable PFAS Analysis