🎤Jessica WhitehouseHaloacetic acids (HAAs) are disinfection byproducts formed when chlorine or bromine reacts with organic matter in water—and some are linked to serious health concerns. In this episode of Concentrating on Chromatography, we sit down with Jessica Whitehouse, MSc student at the University of Calgary, to discuss how she developed a GC-MS method to detect and quantify HAAs in real-world water samples.During her undergraduate research at Thompson Rivers University, Jessica tackled a major challenge faced by many academic labs: how to analyze regulated environmental contaminants without access to GC-ECD instrumentation. &nbsp;Using dispersive liquid–liquid microextraction, derivatization, and GC-MS, she built a faster, more accessible workflow—and applied it to tap water, swimming pools, and hot tubs.<h4>In this conversation, we cover:</h4><ul><li>What haloacetic acids are and why they matter</li><li>Why standard EPA methods can be difficult for smaller or teaching-focused labs</li><li>How GC-MS can be adapted for HAA analysis</li><li>The challenges of derivatization and temperature program optimization</li><li>Unexpected findings in brominated vs. chlorinated HAAs</li><li>Why pool and hot tub water can show surprisingly high HAA levels</li><li>The excitement (and frustration) of first-time method development</li><li>Advice for undergraduate and early-career analytical chemists</li></ul>Jessica also shares how this project led directly to her current MSc research on ozone and nanobubble water disinfection, where she’s now expanding into ion chromatography.Whether you work in environmental analysis, chromatography, GC-MS, or are just starting your journey in analytical chemistry, this episode offers practical insight into real lab constraints, method development, and the joy of finding your first analyte peak.<h3>Video Transcription</h3><h4>Introduction</h4>Haloacetic acids (HAAs) are an important class of disinfectant byproducts formed when organic matter present in water reacts with chemical sanitizers. Because several HAAs are associated with adverse health effects, their determination remains relevant in environmental and public health analysis. This interview highlights the academic pathway and research experience of Jessica, whose undergraduate work focused on the development of a gas chromatography–mass spectrometry (GC-MS) method for the analysis of HAAs in pool and hot tub water.Her project emerged from a combination of academic interest in analytical chemistry, practical experience with water testing, and the constraints of instrument availability in an undergraduate research setting. The resulting workflow illustrates how method adaptation, critical problem-solving, and persistence can enable meaningful analytical research even when standardized methods are not directly accessible.<h4>Academic Background and Entry into Analytical Chemistry</h4>Jessica completed a Bachelor of Science in Chemistry with a minor in Physics at Thompson Rivers University in British Columbia. Her interest in analytical chemistry developed during her second year of study, when coursework revealed the quantitative and detail-oriented nature of the discipline. This emphasis on numerical interpretation, precision, and method development aligned strongly with her academic strengths and motivated her to pursue analytical research.Her specific interest in water chemistry originated even earlier through practical work in a pool and hot tub store, where she became familiar with routine water testing and the chemical factors influencing water quality. This early exposure led naturally into undergraduate research under the supervision of Dr. Sharon Brewer, whose expertise in water analysis provided an ideal foundation for the project.<h4>Haloacetic Acids as Disinfectant Byproducts</h4>Haloacetic acids are a subset of disinfectant byproducts generated when sanitizing agents react with natural organic matter in water. In treated recreational water systems such as pools and hot tubs, disinfectants are essential for microbial control, yet they can also lead to formation of unwanted chemical byproducts. Because some HAAs are considered potentially harmful, their occurrence and concentration warrant analytical attention.In this study, both chlorinated and brominated HAAs were of interest. Although the tested water systems were primarily sanitized using chlorine-based products, the occurrence of brominated HAAs emerged as a notable and somewhat unexpected finding.<h4>Analytical Challenges and Method Selection</h4>A major challenge in the project was the lack of access to the instrumentation required for the standard EPA-based method initially considered for HAA analysis. The available protocol depended on GC-ECD instrumentation, which was not accessible at the university. This limitation required the development of an alternative strategy based on the instruments available locally.GC-MS was selected as the most practical analytical platform. To support this approach, Jessica identified a literature source describing a similar method that could be adapted to her research aims. In parallel, dispersive liquid–liquid microextraction was introduced into the workflow as a means of sample preparation, providing valuable methodological experience beyond the standard undergraduate laboratory curriculum.This adaptation illustrates a common reality in academic research: analytical methodology is often shaped not only by ideal regulatory procedures, but also by local instrument access, scheduling limitations, and the practical needs of the researcher.<h4>Need for Derivatization in GC-MS Analysis</h4>A central analytical issue was that HAAs are inherently nonvolatile, which makes them poorly suited to direct GC analysis. To enable gas chromatographic separation, derivatization was required to convert the analytes into more volatile derivatives with more favorable boiling characteristics.In this method, derivatization with octanol was employed. This modification improved volatility and also generated larger fragments, which aided mass spectral interpretation by making the analyte fragmentation patterns easier to distinguish. Thus, derivatization served both chromatographic and mass spectrometric purposes.<h4>Optimization of the GC Temperature Program</h4>Considerable effort was devoted to optimization of the GC temperature program. The main difficulty did not arise solely from the analytes themselves, but from the derivatization reagent. Octanol produced a broad and persistent chromatographic feature, including a significant shoulder extending into later retention times. This complicated separation and increased pressure to keep the method sufficiently short for routine sample throughput.Among the analytes, monochloroacetic acid proved especially problematic. Because it differed only subtly in structure and produced overlapping behavior relative to the octanol-derived background, its signal was difficult to isolate confidently. Although chlorine-containing fragments could be observed, precise assignment remained challenging. This difficulty underscores how small structural differences and matrix-related interferences can complicate quantitative GC-MS workflows.<h4>Method Performance and Practical Advantages</h4>Although the adapted GC-MS method was developed out of necessity, it also provided practical advantages over the more standardized workflow that had initially been considered. In particular, the derivatization step in the adapted approach required only approximately 10 minutes, whereas the more conventional procedure involved a water bath step lasting around two hours. In addition, the adapted workflow offered shorter overall preparation and analysis timing, allowing batches of samples to be prepared and placed on the autosampler within a normal working schedule.From a practical research perspective, this translated into substantially improved laboratory efficiency. The ability to complete derivatization quickly and begin automated sample analysis without extensive delays made the workflow more manageable and better suited to the demands of an undergraduate project.<h4>Unexpected Findings: Brominated HAAs in Chlorine-Sanitized Systems</h4>One of the more surprising outcomes of the study was the predominance of brominated HAAs, despite the fact that the investigated pools and hot tubs were sanitized using chlorine-based treatments. Four of the systems relied on sodium chloride electrolysis to generate chlorine species, while others used chlorine-containing puck formulations commonly applied in recreational water treatment.Given these conditions, higher levels of chlorinated HAAs might have been expected. Instead, the results suggested a greater abundance of brominated HAAs. A plausible explanation is the presence of bromine-containing impurities in commercial pool and hot tub chemicals. Although such impurities may occur at relatively low levels, they can still influence disinfectant byproduct formation. The observation highlights the importance of considering the full chemical composition of treatment products, not merely their primary declared active ingredients.<h4>Value of Practical Industry Experience</h4>Jessica’s prior work in the pool and hot tub industry provided an unusually strong contextual advantage for the project. Because the samples originated from store clients, she had access to detailed information about the chemicals used in each system, including safety data sheets and knowledge of treatment timing. This background significantly strengthened interpretation of the analytical results by linking measured byproducts to known product usage patterns.Such integration of practical field knowledge with laboratory analysis represents an important strength in applied environmental chemistry, particularly when studying real-world water systems rather than idealized laboratory samples.<h4>Scientific Development and Early Research Motivation</h4>An especially valuable element of the project was the role it played in building research confidence. Jessica described the first successful identification of an analyte peak as a memorable turning point, reflecting the emotional significance of early experimental success in scientific training. In analytical chemistry, where method optimization often involves repeated setbacks and ambiguous data, such moments can be critical in sustaining motivation and reinforcing scientific identity.This experience also informed her advice to early-stage researchers: unfavorable or unexpected outcomes still constitute valid results. Negative or imperfect findings remain analytically meaningful and contribute to scientific understanding, provided they are interpreted carefully.<h4>Connection to Current Research</h4>Jessica is now working at the University of Calgary on a different project focused on ozone and nanobubble disinfection. Although the analytical platform and immediate research questions have changed, the conceptual connection to her earlier work remains clear. Her experience with disinfectant byproducts and water chemistry directly supported her transition into this new role and helped position her as a strong candidate for research in water treatment-related systems.She also expressed interest in expanding her analytical expertise through ion chromatography, which will play a role in her current work. This transition reflects the broader development of an environmental analytical chemist whose work continues to center on water quality, disinfection chemistry, and the analytical tools needed to investigate both.<h4>Public Health Relevance</h4>A notable practical implication of the project concerns recreational water safety. Jessica emphasized that pool and hot tub water should not be ingested, a recommendation already widely understood in general terms but further reinforced by her findings. In at least one case, HAA concentrations were reported at levels far above the federal drinking water regulation threshold. While such regulations are designed for potable water rather than recreational water, the comparison nevertheless illustrates the extent to which disinfectant byproducts may accumulate in these environments.She also noted that several HAAs are classified as probable human carcinogens, with prolonged exposure linked to serious health concerns. Although occasional accidental ingestion is not equivalent to chronic exposure, the findings reinforce the importance of appropriate hygiene, safe water maintenance practices, and awareness of chemical byproduct formation in recreational systems.<h4>Conclusion</h4>This research demonstrates how meaningful analytical chemistry can emerge from a combination of scientific curiosity, practical constraints, and strong mentorship. By adapting a GC-MS workflow for the determination of haloacetic acids in pool and hot tub water, Jessica developed a method that was both workable within local instrument limitations and efficient enough to offer practical benefits over more conventional procedures.Beyond the analytical results themselves, the project highlights several broader themes: the value of undergraduate research, the importance of flexibility in method development, the benefit of practical contextual knowledge, and the relevance of environmental analytical chemistry to real-world public health questions. It also shows how early research experiences can shape a long-term scientific trajectory, leading from undergraduate investigation to continued work in water chemistry and disinfection science.<blockquote>This text has been automatically transcribed from a video presentation using AI technology. It may contain inaccuracies and is not guaranteed to be 100% correct.</blockquote><blockquote><h4>Concentrating on Chromatography Podcast</h4>Dive into the frontiers of chromatography, mass spectrometry, and sample preparation with host David Oliva. Each episode features candid conversations with leading researchers, industry innovators, and passionate scientists who are shaping the future of analytical chemistry. From decoding PFAS detection challenges to exploring the latest in AI-assisted liquid chromatography, this show uncovers practical workflows, sustainability breakthroughs, and the real-world impact of separation science. Whether you’re a chromatographer, lab professional, or researcher you'll discover inspiring content!You can find Concentrating on Chromatography Podcast in podcast apps:<ul><li><a target="_blank" rel="noopener noreferrer" href="https://open.spotify.com/show/1wZg67rCjoGju4yhqxI3tL">Spotify</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://podcasts.apple.com/tz/podcast/concentrating-on-chromatography/id1788429185">Apple podcast</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://podscan.fm/podcasts/concentrating-on-chromatography">podscan</a></li></ul>and on <a target="_blank" rel="noopener noreferrer" href="https://www.youtube.com/@ChromatographyTalk/videos">YouTube channel</a></blockquote>

Detecting Haloacetic Acids in Water with GC-MS

This study presents a one-year assessment of microplastic concentrations in the River Rhine, analyzing samples from three locations and across multiple size fractions using TED-GC/MS. Dominant polymers included polyethylene, polypropylene, polystyrene, styrene–butadiene rubber, and natural rubber.Statistical analysis revealed size-dependent distributions, minor seasonal variation, and spatial differences, highlighting the role of sources such as tire abrasion. The findings provide valuable data for environmental monitoring, ecotoxicological research, and regulatory frameworks related to water quality.<blockquote><h4>The original article</h4><h4><a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsestwater.5c00530">One Year Observation of Microplastic Concentrations in the River Rhine</a></h4>Yosri Wiesner, Paul Eisentraut, and Korinna Altmann*ACS EST Water 2026, 6, 2, 639–648<a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1021/acsestwater.5c00530">https://doi.org/10.1021/acsestwater.5c00530</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.<div>As microplastics (MPs) are found all over the world and no comprehensive knowledge is available yet, extensive monitoring campaigns are required to gain a full understanding of their occurrence, transportation and fate. <a href="javascript:void(0);">(1,2)</a> In particular, MP abundance in freshwater systems has still not been sufficiently investigated. <a href="javascript:void(0);">(3,4)</a> Additionally, the question of the toxicological potential of MPs has been the subject of numerous studies for many years, <a href="javascript:void(0);">(5,6)</a> leading to more precise and complex experimental set-ups and results. However, there is still a need for more acurate data on environmental MP concentrations in order to make ecotoxicological tests even more detailed and realistic. The lack of certainty for exposure concentrations in the risk assessment frame of MPs leads to the precautionary principle being applied by politicians and regulators worldwide. Both the EU drinking water directive and the wastewater directive call for monitoring of MPs within the next few years. It is important to establish suitable analytical methods for sampling, sample preparation and detection that must now be fast, robust and fit for purpose in order to obtain representative and valid results depending on mass or particle number. <a href="javascript:void(0);">(7−9)</a>MPs are solid particles with a size of 1–1000 μm mainly consisting of polymers (ISO/TR 21960, 2020) and can, for example, result from industrial production in the form of small particles that are designed as additives and change the properties of products, or from plastic parts that have been released into the environment. Major sources of MPs today are paints, tires, packaging materials, pellet waste and textiles. <a href="javascript:void(0);">(10−12)</a> These macroplastic products can form MP particles as a result of degradation factors such as photooxidation, hydrolysis and mechanical abrasion. <a href="javascript:void(0);">(13,14)</a>The River Rhine has its origin in Switzerland and then flows through Liechtenstein, Austria, Germany and France until it discharges into the North Sea in The Netherlands. At 1233 km and a catchment area of about 185&nbsp;000 km2, the Rhine is one of the largest river systems in Europe and, due to its expanse, forms the ecological basis for a large number of animal species. Around 30 million people in Germany are supplied with drinking water from the Rhine.It is hardly possible to assess the occurrence of MPs if either a limited sampling volume is used or only individual samples are taken. It is therefore essential that different volumes are sampled depending on whether the water to be sampled contains many or few MP particles. It is recommended to sample at least 5 m3 for drinking water samples and 1 m3 for surface water, whereas raw wastewater contains so many particles that only a few liters need to be sampled. <a href="javascript:void(0);">(15)</a> Although sampling of these water volumes leads to a representative sample from the analytic point of view, it is questionable, if the result measured is representative for the location. Previous studies have shown that the composition in terms of MP masses in a water body can change at one location with each individual sample independently whether several samples are analyzed in 1 day or spread over several days. <a href="javascript:void(0);">(16)</a> Fractionated filtration and sedimentation boxes as active and passive sampling methods have proven themselves in the sampling of freshwater systems. In active sampling, water is fractionally filtered using a pump and a sieve tower with different mesh sizes. <a href="javascript:void(0);">(17)</a> Passive sampling can be carried out using sedimentation boxes. <a href="javascript:void(0);">(18)</a> In a sedimentation box, the flow velocity of the medium flowing through is reduced by using several baffle plates. Due to the reduced velocity and energy, particles up to a certain size are forced to sediment by the now predominant gravitational force. Such boxes can remain in the water for several weeks and therefore collect a cross-section of the suspended particles including MP over a certain period of time.Mass and number-based methods have emerged as suitable detection methods for MPs. <a href="javascript:void(0);">(19)</a> Number-based methods such as μ-Raman, μ-FTIR or LDIR are well advanced to evaluate the polymer identity, particle number concentration and shape, <a href="javascript:void(0);">(20,21)</a> but are still time-consuming in terms of sample preparation. In regulatory approaches or for simulations, usually the MP mass is needed. MP polymer identity and masses can be detected by thermoanalytical methods like pyrolysis-GC/MS (Py-GC/MS) or thermal extraction desorption-GC/MS (TED-GC/MS). Especially TED-GC/MS seems to be suitable for monitoring purses of suspended particulate matter, because there is no need for additional sample preparation others than filtration and homogenization. Up to 50 mg of suspended particulate matter can be directly measured in one run, giving representative subsamples for precise measurements exceeding the limit of quantification. Furthermore, styrene–butadiene rubber (SBR) and natural rubber (NR) as indication for tire wear can be detected in the same sample run next to thermoplastics such as polyethylene (PE), polypropylene (PP), polyethylene terephthalate (PET), polystyrene (PS), polyamide 6 or polyacrylates.This work provides a comprehensive data set of MP concentrations of the River Rhine over one year sampling at three different locations starting near the source in Weil via Koblenz and Emmerich. Sampling was done with sedimentation boxes with monthly withdrawal and fractioned filtration of the collected particles afterward. The size fractions 10–50 μm, 50–100 μm and 100–500 μm were provided by the Federal Institute of Hydrology (BfG, Germany) and analyzed at the Federal Institute of Material Research and Testing (BAM, Germany) funded by a national project from the Federal Ministry for the Environment, Nature Conservation, Nuclear Safety and Consumer Protection (BMUV, Germany, 3719 22301 0). Detection was performed with TED-GC/MS in routine mode, proven as a fast and robust detection method. <a href="javascript:void(0);">(2,16,22)</a> Data can be used, for example, for water monitoring or as reference values for future risk assessment scenarios and experiments.<h4>2. Materials and Methods</h4><h5>2.2. TED-GC/MS</h5>TED-GC/MS is a multistage detection technique combining the thermal sample extraction by thermogravimetric analysis (TGA) with chromatographic separation of the individual decomposition gases and detection by trace analysis with gas chromatography/mass spectrometry (GC/MS). Sample material in 150 μL alumina crucibles was pyrolyzed in a TGA2 thermobalance (MettlerToledo, Gieβen, Germany) under a nitrogen flow of 30 mL/min from 200 to 500 °C with a heating rate of 10 K/min. Typical sample intake was between 10 to 50 mg depending on the organic content. The decomposition gases were collected on a solid phase (SorbStar, Envea, Vohenstrauβ, Germany) in the typical polymer decomposition temperature range between 200 and 500 °C via a heated coupling module (240 °C, Gerstel, Mülheim an der Ruhr, Germany). The loaded solid phase was transported to the thermodesorption unit (TDU)-GC/MS by an autosampler (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=8&amp;search=MultiPurposeSampler+2">MultiPurposeSampler 2</a> (MPS2), Gerstel, Mühlheim an der Ruhr). The desorption of the decomposition products took place in the TDU (50–200 °C, 5 min isothermal, He gas, Gerstel), the cryofocusing in the cold injection system (−100 °C, Gerstel). Injection was carried out from there by rapid heating (−100–270 °C, 12 K/s) onto the separation column (HP5 ms, 1 mL/min He, 40–300 °C, Agilent, Palo Alto, USA) in the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=7890B">GC system (7890 B Agilent)</a>. After chromatographic separation, detection was performed in a mass spectrometer (EI, 70 eV, scan-mode, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=5977B">5977 B, Agilen</a>t).<h4>3. Results and Discussion</h4>A summary of the identified polymer types and their corresponding mass concentrations per sampling location is provided in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsestwater.5c00530#fig1">Figure 1</a>. All individual results are presented in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acsestwater.5c00530/suppl_file/ew5c00530_si_001.pdf">Table S1</a> of the Supporting Information. With a few exceptions, the polymers PE, PP, PS, SBR and NR were detected. To cope with the large amount of measurement data and to obtain an overview of possible correlations, the data was evaluated using statistical and mathematical algorithms. Only the five polymers named above provide enough input data and are therefore used as the basis for the data analysis. The individual results were sorted according to various aspects that are included in the data set as independent variables:(I)&nbsp;&nbsp;&nbsp; Particle size fractions(II)&nbsp;&nbsp;&nbsp; Temporal variation(III)&nbsp;&nbsp;&nbsp; Spatial variation due to the sampling locations<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ACS_EST_Water_2026_6_2_639_648_Figure_1_Overview_of_sampling_locations_along_the_German_part_of_the_River_Rhine_and_sum_of_identified_median_mass_concentrations_fe570f51b5.jpg" alt="ACS EST Water 2026, 6, 2, 639–648: Figure 1. Overview of sampling locations along the German part of the River Rhine and sum of identified median mass concentrations." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ACS_EST_Water_2026_6_2_639_648_Figure_1_Overview_of_sampling_locations_along_the_German_part_of_the_River_Rhine_and_sum_of_identified_median_mass_concentrations_fe570f51b5.jpg 158w," sizes="100vw" width="1883" height="1860">The concentrations of the various polymers in the suspended matter serve as input values. The riverine balancing and material transport based on the total masses (polymer mass in total suspended solids mass) is carried out explicitly and will be published at Umweltbundesamt as part of the project report by the BfG (Ternes, final project report, 2023).<h5>3.1. Particle Size Fractions</h5>This section describes the possible correlation of the polymer mass concentration with the size of the measured particles regardless of the sampling location. Therefore, the generated samples were sorted by sieving into different size fractions of 10–50, 50–100 and 100–500 μm. The relative mean values of the individual fractions are calculated (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acsestwater.5c00530/suppl_file/ew5c00530_si_001.pdf">Figure S2</a>) to obtain the shares of the different polymer types in the total amount of MP. PE is the dominant polymer in all size fractions with 68–76%, followed by PS (10–15%), SBR (4–13%), PP (2–5%) and NR (2–4%). Obviously, all polymer types are approximately evenly distributed across the size fractions, with SBR being less present in the 100–500 μm fraction.In general, it can be determined that PE accounts for the highest proportion of MP. PS makes up the second highest proportion, followed by SBR. Next in line are PP and NR. The polymer findings are in good agreement with previous MP studies of the Rhine. PE, PP and PS in particular are the most frequently detected polymers. <a href="javascript:void(0);">(3)</a> The relative abundance of PE, PP and PS is also relatively similar to Skalska et al., even when the particle number was considered here. <a href="javascript:void(0);">(26)</a> Especially in comparison with the results of Mani et al. significant similarities to the ratios of PE, PP and PS can be found. Data on SBR from tire abrasion in the Rhine is difficult to find in existing studies, as such particles cannot easily be identified using vibrational methods due to the IR absorbing properties and the intense fluorescence of the accompanying soot. However, a comparison with suspended particulate matter samples from the Danube is possible, as here the detection was also carried out using TED-GC/MS. <a href="javascript:void(0);">(2)</a> The relative ratios of PE, PP, PS, SBR and NR are comparable and support the plausibility of the results.Total MP mass concentrations are presented in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acsestwater.5c00530/suppl_file/ew5c00530_si_001.pdf">Figure S3</a> for individual polymer types, showing highest mass concentrations in the size fraction 100–500 μm. The median varies from 0.17 to 6.80 μg/mg depending on the polymer type. In absolute terms, the PE mass concentrations are significantly higher than those of all other polymers. PP and PS show a strong mass increase in the 100–500 μm fraction, together with higher uncertainty compared to 10–50 μm and 50–100 μm. With a variation of 0.27–0.32 μg/mg across all particle size fractions, the mass contents of SBR are relatively constant, while NR mass concentration seems to increase more linearly. The high mass concentrations and the strong scattering of the 100–500 μm fractions could be due to the presence or absence of large but few particles. Basically, the larger a particle is, the higher its contribution to the mass concentration. In contrast, the larger a particle is, the lower the probability of an equal distribution in all samples.If other regions associated with the Rhine are considered, comparable ratios of mass concentration in the various particle size fractions are found in Rhine floodplains. <a href="javascript:void(0);">(27)</a>At the beginning of the data analysis, a Principal Component Analysis (PCA) is carried out to identify parameters that have a high influence on the mass content. This analysis identified that the particle size has the greatest influence on the mass concentration (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsestwater.5c00530#fig2">Figure 2</a>). The first principal component (PC 1) was identified as the particle size fraction and explains over 50% of the differences in the data.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ACS_EST_Water_2026_6_2_639_648_Figure_2_PCA_Score_plot_of_mass_concentrations_of_the_different_polymers_be94ae16c4.jpg" alt="ACS EST Water 2026, 6, 2, 639–648: Figure 2. PCA Score plot of mass concentrations of the different polymers." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ACS_EST_Water_2026_6_2_639_648_Figure_2_PCA_Score_plot_of_mass_concentrations_of_the_different_polymers_be94ae16c4.jpg 184w," sizes="100vw" width="747" height="635"><h4>4. Conclusion</h4>This study demonstrated that long-term sampling of the Rhine is possible and provides plausible results, which is important for future MP monitoring campaigns, as required by the Urban Waste Water Treatment Directive for the EU. Although the MP concentrations in the Rhine are relatively constant, seasonal and downstream differences were observed. In order to confirm these possible trends, further sampling campaigns are needed to identify possible differences on an annual scale. Furthermore, the influences of urban proximity and land use must be examined in greater detail by increasing the number of measuring points. Additional sample sites are needed to identify possible sources of input. This would be particularly important to clarify the PS concentrations, which show a high correlation between the different particle size fractions in almost all seasons and could indicate a possible common source. SBR is the only polymer to show a relatively constant concentration across all particle sizes and seasons, independent of the river course. Since it is a tire component, constant road traffic could be part of the explanation. However, a different particle ratio must be assumed here compared to the other polymers. The fragmentation mechanism and/or another transport mechanism needs to be clarified.Although PE constitutes the majority of the total MP concentration, there may be an overestimation due to false positive signals. To exclude or confirm this, further studies must be conducted to analyze the organic components of the riverine suspended matter in detail.A comparison with other studies reveals similar occurrences of the same polymer types and in parts also similar seasonal fluctuations and a slight downstream increase. The differentiated presentation of results in polymer type, particle size fraction and range of mass concentrations can provide a valuable basis for more complex and realistic exposure tests for ecotoxicological studies on freshwater organisms. In particular, the large database for SBR as a tire component could be of special interest, as the toxicity of tire particles due to their chemical composition has already been shown in other studies. In studies using FTIR-based detection methods, these values are usually missing due to the high absorbance of the black tire particles.</div>

One Year Observation of Microplastic Concentrations in the River Rhine

In the week of April 6, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.<blockquote><h4><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars">👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</a></h4>👉 Search and filter in the largest global database with over 5 500 GC, LC, MS and spectroscopy webinars.</blockquote><div><div><div><div><div><div><h5>1. Bruker: Advances in AFM for the Characterization of 2D Materials</h5><ul><li>We, 8.4.2026 17:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/6054">Registration</a></li></ul>Explore how AFM enables comprehensive nanoscale characterization of 2D materials. Learn about structural, electrical, and chemical mapping, AFM-IR, and nanomanipulation for device fabrication.<h5>2. Agilent Technologies: Mastering Gas Sampling: Valve Fundamentals to ASTM Ready RGA &amp; TOGA Analysis</h5><ul><li>Th, 9.4.2026 08:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/6056">Registration</a></li></ul>In this session, learn how to achieve reliable permanent gas analysis, starting from proper valve selection and sampling fundamentals.</div></div></div></div></div></div>

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Automation series: The #ConnectedLaboratory is real!
Have you joined the &quot;Meet the #ConnectedLaboratory&quot; series last year? If not have a look <a href="https://lcms.labrulez.com/webinars?search=%23ConnectedLaboratory&amp;tags=5">@Meet the #ConnectedLaboratory</a> to learn how easy it can be to get back some of your valuable time or complement your existing automation solutions in a flexible way.
Ready to take the next step? Learn how OneLab can become your sample preparation partner, get access to liquid handling tips &amp; tricks, be the first to learn about the newest additions and learn from your peers, sharing their experience implementing the #ConnectedLaboratory.
<h3>Part 4: Meet your peers and see how they implemented the #ConnectedLaboratory</h3>
Hear how existing users have implemented the #ConnectedLaboratory.
<blockquote>
Presenter: Evelien Dejaegere (Marketing Manager Chemistry EMEA, Waters Corporation)
</blockquote>
<blockquote>
Evelien joined Waters in 2005 and is currently a Marketing Manager in the European Chemistry organization. She is passionate on leveraging products and solutions to solve analytical challenges &quot;from sample to result&quot; with the aim to help advancing science and basically make our world a better place.
</blockquote>
<blockquote>
Recently, Evelien has a focus on laboratory automation workflows, helping customers turn samples into results with robustness, reliability and reproducibility. Involved with product development and commercialization, Evelien is keenly interested in learning about the challenges faced in the analytical laboratory, in order to facilitate the development of enabling technologies.
</blockquote>

Waters Corporation: Automation series The #ConnectedLaboratory is real!

The #ConnectedLaboratory is real! - Part 4: Meet your peers and see how they implemented the #ConnectedLaborator

Hear how existing users have implemented the #ConnectedLaboratory.

Meet your peers. Implementation the #ConnectedLaboratory

Quality is imperative throughout the entire development, validation, and final release testing of any therapeutic product. Often involving many complex and multifaceted challenges, vendors have a responsibility to ensure that their products meet defined criteria to deliver reliability and peace of mind to the end user.
In this online seminar series, software specialists will discuss how a modern chromatography data system (CDS) can provide a secure software platform from its early design, offering all the tools you need to maintain the integrity of your data, while alleviating concerns associated with regulatory audits.
If you would like to attend a webinar but are unable to join live, please do still register as all registrants will receive an on-demand link which you can use to watch the webinar after the live date.
<h3>Webinar 3. Ensuring system quality to deliver easier audits</h3>
<ul>
<li>Find out how you can prepare for an inevitable audit</li>
<li>Learn about current regulatory requirements and what this means for your lab</li>
<li>Discover expert hints and tips for an effective system review</li>
</ul>
<blockquote>
Presenter: Patrick Kenny (Software Compliance Product Manager, Thermo Fisher Scientific)
</blockquote>
<blockquote>
Patrick Kenny holds BS and MS degrees in chemistry from the University of Massachusetts Dartmouth and University of Massachusetts Amherst. Kenny spent 13 years in management and director roles in pharmaceutical laboratories. In these roles, he represented the chemistry lab in FDA, EMA, ISO, QP and customer audits. Kenny’s extensive regulated-lab management experience gives him a unique insight into the challenges lab managers face on a daily basis. He uses this knowledge to help customers best utilize their software to achieve regulatory compliance while realizing high productivity.
</blockquote>

Ensuring system quality to deliver easier audits

Find out how you can prepare for an inevitable audit. Learn about current regulatory requirements and what this means for your lab.

With the decline in availability, and performance limitations of magnetic-sector high-resolution mass spectrometry (HRMS), many laboratories are investigating new methodology and instrumentation to address the demanding needs of ‘“dioxin’” and dioxin-like persistent organic pollutants (POP’s) analysis. In recent years, both the European Union (EU 644-2017 and EU 771-2017) and the United States (USEPA ATP 16130) have recognized the use of tandem quadrupole mass spectrometry (MS) as an acceptable alternative to traditional high-resolution magnetic sector-based methods. Additionally, other countries have evaluated and validated this methodology as a replacement for the traditional HRMS approach, and in doing so, have realized several advantages.
<h3>This webinar will discuss</h3>
<ul>
<li>Selecting a new instrument to replace legacy HMRS</li>
<li>How the atmospheric pressure gas chromatography (APGC) MS/MS technology that was selected compared with the previous instrument in performance and usability</li>
<li>How the new method was accredited</li>
</ul>
<h3>Key learning objectives</h3>
<ul>
<li>Assessing alternative systems for the analysis of dioxins and furans.</li>
<li>The advantages of tandem MS and atmospheric pressure chemical ionization (APCI) as an alternative test procedure.</li>
<li>Accrediting a new method.</li>
</ul>
<blockquote>
Presenter: Peter Blow (HRMS Chemist, Environmental, ALS Global)
</blockquote>
<blockquote>
Peter has been involved in the development of dioxin analysis since 2002 when he established Australia’s first commercially available dioxin analysis capability at ALS. Initially joining ALS in 1991, he was involved in developing most of ALS’ original organic analysis methodologies as the Senior Organic Chemist.
</blockquote>
<blockquote>
A graduate of Queensland University of Technology, Peter has also held positions at Incitec, Elite Chemicals, and Caltex.
</blockquote>
<blockquote>
With almost 20 years’ experience in dioxin analysis, Peter has a wealth of knowledge on the subject.
</blockquote>
<blockquote>
Presenter: Rory Shadbolt (Editorial Team, SelectScience)
</blockquote>

SelectScience: Advancing technology for dioxins analysis – adapting methodology to address current and future needs

Advancing technology for dioxins analysis – adapting methodology to address current and future needs

The use of tandem quadrupole mass spectrometry (MS) as an acceptable alternative to traditional high-resolution magnetic sector-based methods.

Advancing technology for dioxins analysis

Separation Science, in collaboration with Thermo Fisher Scientific, offers a webinar covering the benefits of data analytics and visualization tools.
Effective data analysis is critical to provide scientists with actionable information and valuable insights. Although organizations are utilizing data analytics tools from a business intelligence perspective, there is the opportunity to leverage data even further and use it to drive decisions. Unfortunately, data is often limited in use, because it does not always follow the FAIR (findable, accessible, interoperable and reusable) guiding principles for scientific data management and stewardship. Open standards from Allotrope, the Pistoia Alliance and the American Society for Testing and Materials (ASTM) all help to “FAIRify” data making it available for a wider use.
Once the power of data is unlocked, laboratories can begin to experience the full value of their data, applying predictive analytics, artificial intelligence and machine learning tools. Developing configurable dashboards and utilizing powerful data analytics tools, as well as integrating data analytics capabilities throughout an entire workflow, can accelerate scientific insights.
In this webinar, join Dr. David Hardy, from Thermo Fisher Scientific, as he reveals the benefits of data analytics and visualization tools, and explains how laboratories can effectively use these to optimize their data to drive efficiency and innovation.
<h3>Key learning outcomes:</h3>
<ul>
<li>The value of applying new data analytics, visualization tools and techniques in the lab</li>
<li>How integrating strategies can leverage data and derive valuable insights</li>
<li>How the future of laboratory data can be positively impacted by advanced analytics</li>
<li>Learn how implementation of a Data Analytics Solution can provide powerful insights to your organization</li>
</ul>
<h3>Who should attend?</h3>
<ul>
<li>Lab managers</li>
<li>Data scientists</li>
<li>Lab IT specialists</li>
<li>Lab personnel</li>
</ul>
<blockquote>
Presenter: David Hardy (Manager of Data Analytics and Visualization, Thermo Fisher Scientific)
</blockquote>
<blockquote>
David joined Thermo Fisher Scientific in 2017 as a Technical Solutions Manager before transitioning into his current role in 2020. With over 10 years of experience in product management, David’s career has always been focused on software – with a focus on LCMS software development and now LIMS software solutions. David has a BSc in Chemistry and a PhD in Magnetic Resonance Spectroscopy from the University of Leicester, England and completed his Post-Doc at AstraZeneca.
</blockquote>

Pixabay/Alexas_Fotos: The Power of Data Analytics: Driving Laboratory Efficiency and Discovering New Insights

The Power of Data Analytics: Driving Laboratory Efficiency and Discovering New Insights

Separation Science, in collaboration with Thermo Fisher Scientific, offers a webinar covering the benefits of data analytics and visualization tools.

The Power of Data Analytics

Accurately identifying unknowns by searching a library of GC/MS spectral data is straightforward but often yields ambiguous results. Isomeric compounds that have the same molecular formula, but different structures, can give very similar spectral signatures. In addition, peaks with co-eluting compounds can lead to inconclusive or incorrect results.
Cerno’s GC/ID data processing software utilizes an advanced mixture deconvolution algorithm and then combines information from spectral libraries, retention index (RI) data, and accurate mass formula confirmation to identify unknowns on single quadrupole mass spectrometer systems. The software automatically generates RIs for detected compounds during a single or batch run, without running separate standards. Finally, it visually highlights correct identifications among a long list of possible matches. This post acquisition software works with most commercially available GC/MS systems. 
<h3>Key Learning Objectives:</h3>
<ul>
<li>Learn how to obtain retention index automatically from your unknown sample itself</li>
<li>Learn how to obtain accurate mass and spectral accuracy on your single quadrupole GC/MS system</li>
<li>Learn how to combine multiple ID metrics and quickly come to a conclusive answer</li>
<li>Learn how to make your GC/MS analysis dramatically more productive</li>
</ul>
<h3>Who Should Attend:</h3>
<ul>
<li>Analysts and lab managers utilizing GC/MS for qualitative or semi-quantitative analysis.</li>
</ul>
<blockquote>
Presenter: Don Kuehl, PhD (VP of Product Development and Marketing, Cerno Bioscience)
</blockquote>
<blockquote>
Presenter: Ann Thayer (Contributing Editor, C&amp;EN Media Group)
</blockquote>

C&EN: GC/MS Analysis Using Automated Retention Index and Library Search

GC/MS Analysis Using Automated Retention Index and Library Search

Accurately identifying unknowns by searching a library of GC/MS spectral data is straightforward but often yields ambiguous results. 

GC/MS by Automated Retention Index and Library Search

GC-FID is a widely favored analytical tool for VOC analysis in environmental testing labs. Analysts often turn to methanizers to catalytically convert carbon monoxide and carbon dioxide to methane, which can then be detected at very low levels using an FID. But every technology has its limitations. Existing methanizers have numerous weldments that are potential points of failure and leaks. Unexpected failures and the difficult replacement process often result in downtime and reduced testing throughput. Plus, with catalyst poisoning and too many analytes with not enough time nor standards to sufficiently quantify, labs need innovative solutions to come to the rescue.
The focus of this webinar will be on improved techniques for GC-FID. We’ll highlight innovative techniques that expand the capabilities of FID with universal carbon response. We’ll be joined by Activated Research Company, a top partner of Quantum Analytics, who has been developing analytical tools to help scientists better understand the physical world around us.
<h3>Key webinar takeaways:</h3>
<ul>
<li>Look inside two 3D printed microreactors for GC-FID.</li>
<li>Learn about a simplified greenhouse gas analyzer that is gaining widespread popularity.</li>
<li>Build a better understanding of formaldehyde analysis with GC.</li>
<li>Walkthrough calibration-free analysis of complex VOC matrices.</li>
</ul>
<blockquote>
Presenter: Connor Beach (Sales Engineer, Activated Research Company (ARC))
</blockquote>
<blockquote>
Beach leads the company’s sales engineering efforts domestically, with responsibility for technical sales in North America. He works closely with the product team and the ongoing product innovation efforts at ARC in both gas chromatography and liquid chromatography. Beach worked with ARC in 2015 on the initial product development of the Polyarc system where he tested the new two stage reactor system for calibration free GC analysis as well as application testing. He has three publications related to his efforts with the Polyarc system. In his previous role with Honeywell Beach served as a Process Design Engineer. Before joining Honeywell in 2019, Beach served as a Lead R&amp;D Engineer at Sironix Renewables where he was responsible for the operation of a laboratory including initial setup, general maintenance, data collection/analysis, equipment procurement, and new experiment designs. At Sironix Renewables he utilized the Polyarc to streamline analysis of novel chemicals. Beach holds a Bachelors degree in Chemical Engineering from the University of Minnesota -Twin Cities.
</blockquote>

Pixabay/Darkmoon_Art: Simplified Environmental Testing with GC-FID

Simplified Environmental Testing with GC-FID

Explore innovative techniques for GC-FID designed to improve workflows and increase testing capabilities. 

Petroleum contamination is a significant concern for both the environment and human health.
In this webinar, our guest speaker, Dr Ken Scally (Suez), will examine the challenges involved in Total Petroleum Hydrocarbon Criteria Working Group (TPH-CWG) analysis and demonstrate the use of GC×GC–FID for thorough characterisation of both aliphatic and aromatic components in a single run, without the need for sample fractionation.
<h5>Learning Outcomes</h5>
<ul>
<li>Hear about the challenges involved in TPH analysis for risk assessors</li>
<li>Learn the basics of GC×GC and what it offers for analysis of TPH-CWG</li>
<li>See how labour-intensive, offline sample fractionation can be eliminated, and GC–MS is no longer required for volatile petroleum hydrocarbon (VPH) methods.</li>
<li>See how reduced sample preparation minimises the risk of error, while automated data-processing avoids operator subjectivity.</li>
</ul>
<blockquote>
Presenter: Dr Ken Scally (Suez)
</blockquote>

SepSolve: Improved productivity for routine analysis of total petroleum hydrocarbons (TPH-CWG)

Improved productivity for routine analysis of total petroleum hydrocarbons (TPH-CWG)

We will examine the challenges involved in Total Petroleum Hydrocarbon Criteria Working Group (TPH-CWG) analysis and demonstrate the use of GC×GC–FID.

Routine analysis of total petroleum hydrocarbons (TPH-CWG)

This webinar describes analytical methods used for screening of extractables and leachables (E&amp;L) in pharmaceutical packaging and product.
Extractables analysis was performed by Direct TD-GCMS, while leachables by liquid injection-GCMS. Identification was carried out using NIST 14 Library and Shimadzu Polymer Additives Library. Instead of time-consuming solvent extraction procedure, a simpler Direct Thermal Desorption technique is used to perform extraction of the extractable compounds from polymer packaging. The result of extractables is compared with leachables analysis result from the product contained in the packaging.
Learning Objectives:
<ul>
<li>To provide a general knowledge of Extractables and Leachables
</li>
<li>To provide a simpler solution to E&amp;L screening
</li>
</ul>
<blockquote>
Presenter: Cynthia Lahey (Assistant Manager, Shimadzu (Asia Pacific) Pte Ltd)
</blockquote>
<blockquote>
Cynthia started working with GC and GCMS in Shimadzu (Asia Pacific) in 2003, including various techniques such as headspace, SPME, thermal desorption and pyrolyzer. She has delivered numerous GC &amp; GCMS training courses, participated in international seminars, workshops and conferences as well as developed application notes for Shimadzu (Asia Pacific).
</blockquote>

Shimadzu: E&L Screening in Pharma Packaging and Product by GCMS

E&L Screening in Pharma Packaging and Product by GCMS

Analytical methods used for screening of extractables and leachables (E&L) in pharmaceutical packaging and product.

The COVID-19 pandemic has brought unprecedented challenges for the communities and economies worldwide, causing a profound effect on the lives of billions of people.
While government and communities are trying to contain the spread, researchers are aggressively focusing their efforts towards finding a treatment and/or vaccine. Science is more important now than ever before.
This webinar will feature the current analytical technologies and solutions that Shimadzu is committed to provide – such as analytical techniques for drug testing and vaccine research, production and testing of sanitizers and personal protective equipment and analysis of medical sewage waste.
<h5>Learning Objectives:</h5>
<ul>
<li>Comprehensive workflow for Pharma, PPE manufacturing and Environmental monitoring
</li>
<li>Explore solutions accelerating research
</li>
<li>Informatics workflows enabling remote operations and monitoring
</li>
</ul>
<blockquote>
Presenter: Sandhya (Sandy) Nargund (Deputy General Manager, Shimadzu (Asia Pacific) Pte. Ltd.)
</blockquote>
<blockquote>
Sandy has over 22 years’ experience in Analytical field with various roles starting from Pharma QC to Mass Spectrometry expert in supporting advance MS technologies. Sandy has wide experience on Mass Spectrometry while working as ‘Application Specialist’ and has conducted many users training and workflow trainings for small molecules and proteomics using LC-MS/MS, GC-MS/MS and High-resolution MS. She is currently working as Deputy General Manager in Shimadzu Asia Pacific, Singapore and is responsible for managing and promoting Shimadzu&#39;s analytical products range including Spectroscopy, Chromatography and Mass Spectrometry in region and to provide technical support on various applications in food safety, Pharma, Clinical and other markets.
</blockquote>
<blockquote>
Presenter: Jackie (Product Specialist (GC &amp; GCMS), Shimadzu (Asia Pacific) Pte. Ltd.)
</blockquote>
<blockquote>
After graduating from the National University of Singapore, Jackie has garnered over 6 years of research, training and facilitation experience. Jackie meets scientists from various industries to share technical knowledge and collect feedback, understanding their problems and helping them find well-suited solutions in GC-related analyses.
</blockquote>

Shimadzu: Analytical Technologies for COVID-19 Challenges: Drug Repurposing | Vaccine Research | PPE & Material Testing | Environmental Monitoring

Analytical Technologies for COVID-19 Challenges: Drug Repurposing | Vaccine Research | PPE & Material Testing | Environmental Monitoring

The current analytical technologies and solutions that Shimadzu is committed to provide.

Analytical Technologies for COVID-19 Challenges

Formation of nitrosamines, particularly NDMA, is prevalent in water treatment plants using chloramine as a disinfectant.
NDMA is classified as a B2 carcinogen based on the induction of tumors at multiple sites in different mammal species exposed to NDMA by various routes. EPA 521 has been provided as the validated extraction and analytical procedure for monitoring of nitrosamines in drinking water. However, this method was developed using large volume injections (20 µL) and ion trap spectrometers in MS/MS chemical ionization (CI) mode (with methanol or acetonitrile). To avoid the complexity of large volume injections and CI, we present the alternative gas chromatography triple quadrupole electron ionisation method. Additionally, calibrants were prepared via an auto-sampler, from 1000 µg/ml commercially available standards.
Learning Objectives:
Introduction and background on nitrosamines analysis in water samples Development of GC-MS/MS electron ionisation method Learn about the method application on field samples
<blockquote>
Presenter: Crystal Yeong (Ph.D.) (Senior Field Application Chemist, Shimadzu (Asia Pacific) Pte Ltd)
</blockquote>
<blockquote>
Crystal Yeong is a senior field application chemist for GC and GCMS at Shimadzu (Asia Pacific) Pte Ltd in Singapore. She has experience in forensic applications, nitrosamines impurities detection and PAH analyses in edible oils. Prior to joining Shimadzu, she was a lab analyst with the Ministry of Home Affairs, Singapore. Crystal holds a PhD in Inorganic Chemistry and B.Sc. in Chemistry &amp; Biological Chemistry from Nanyang Technological University.
</blockquote>

Shimadzu: Monitoring Nitrosamines in Water using GC-MS/MS via Electron Ionisation and Quantitation Comparison with GC-MS via Chemical Ionisation

Monitoring Nitrosamines in Water using GC-MS/MS via Electron Ionisation and Quantitation Comparison with GC-MS via Chemical Ionisation