If you have had your laboratory recently fitted out with new gas lines recently, they will probably look very professional and comply <a target="_blank" rel="noopener noreferrer" href="https://www.hse.gov.uk/pUbns/priced/l122.pdf">Pressure System Safety Regulations 2000</a> or with the <a target="_blank" rel="noopener noreferrer" href="https://www.legislation.gov.uk/ukpga/1974/37/contents">Health &amp; Safety at Work Act 1974 </a>and with best practices from the <a target="_blank" rel="noopener noreferrer" href="https://bcga.co.uk/publications/">British Compressed Gas Association</a> (BCGA). You may have made the decision to use gas generators which have in-built safety features. If this is not the case and you may need to have your installation inspected.The installation may terminate with one regulator or isolation valve for each gas. This may not be a problem however if you have more than one instrument or the number of instruments expand you will require separate isolation valves for each instrument. This setup enables you to keep instruments running, while maintaining or decommissioning older instruments.<h3>Typical GC Gas Installation</h3><figure class="image"><img style="aspect-ratio:941/419;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Chrom_Solutions_Analytical_Gas_Installations_ba742fee3a.jpg" alt="ChromSolutions: Analytical Gas Installations." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Chrom_Solutions_Analytical_Gas_Installations_ba742fee3a.jpg 245w," sizes="100vw" width="941" height="419"></figure>Also, more often than not valves and fittings to the instrument may not look so neat and tidy and could be intertwined 1/8” copper tubing. Critically this may not easily identifiable if you need to isolate, leak check, or reconfigure the gases, particularly if you have restricted access around the back of the instrument.<figure class="image"><img style="aspect-ratio:459/613;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Chrom_Solutions_Analytical_Gas_Installations_2_cbf39f7b65.jpg" alt="ChromSolutions: Analytical Gas Installations." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Chrom_Solutions_Analytical_Gas_Installations_2_cbf39f7b65.jpg 117w," sizes="100vw" width="459" height="613"></figure>Therefore, to make the identification easier ChromSolutions have developed a series of low costs products to identify valves, gas lines and sample cylinders. We have some standard 3D printing products; however, we can easily customise to gas type, valve and tag sizes to your specific requirements.<h3>Gas Line/Sample Cylinder Tags</h3>Also printed in PLA are the gas line tags. Again they are colour coded according to<a target="_blank" rel="noopener noreferrer" href="https://bcga.co.uk/"> BCGA </a>– <a target="_blank" rel="noopener noreferrer" href="https://bcga.co.uk/assets/BCGA%20TIS%206%20-%20Rev%203%20-%20For%20Publication.pdf">Technical information sheet 6</a> : Gas cylinder identification label and colour code requirements. They will also display the gas type by its chemical symbol and can be mounted vertically or horizontally:<figure class="image"><img style="aspect-ratio:1250/614;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Chrom_Solutions_Analytical_Gas_Installations_3_6c752f4d0f.jpg" alt="ChromSolutions: Gas Tags." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Chrom_Solutions_Analytical_Gas_Installations_3_6c752f4d0f.jpg 245w," sizes="100vw" width="1250" height="614"></figure>The tags provide a convenient way to easily identify the contents of gas lines. The tags are available for all commonly used laboratory gases.<ul><li>Part Number: CS-GT-***-3D (replace *** with gas type i.e. He – Helium, O2 – Oxygen etc)</li><li>Product: Gas Tag</li><li>Diameter (mm): 60</li><li>Height (mm): 3</li><li>Weight (g): 6</li></ul><h3>Gas Isolator Valve Box</h3>3D printed in PLA the boxes allow mounting of an isolator valve. The box and lids are colour coded according to <a target="_blank" rel="noopener noreferrer" href="https://bcga.co.uk/">BCGA </a>– <a target="_blank" rel="noopener noreferrer" href="https://bcga.co.uk/assets/BCGA%20TIS%206%20-%20Rev%203%20-%20For%20Publication.pdf">Technical information sheet 6</a> : Gas cylinder identification label and colour code requirements. They will also display the gas type by its chemical symbol and show the on/off status of the valve. The boxes are available for all commonly used laboratory gases and can be mounted either in a vertical or horizontal orientation.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Chrom_Solutions_Analytical_Gas_Installations_4_88b53d0128.jpg" alt="ChromSolutions: 2 Way Valve Boxes." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Chrom_Solutions_Analytical_Gas_Installations_4_88b53d0128.jpg 245w," sizes="100vw" width="1289" height="377">The boxes can be mounted either with double sided tape or screws, as single gases or as multiple boxes on a back plate. Both the individual and the single boxes can be mounted to walls or bench tops. The boxes provide a convenient way to mount an isolator valve that allows easy access and identification of the gas that the valve isolates.<figure class="image"><img style="aspect-ratio:756/486;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Chrom_Solutions_Analytical_Gas_Installations_5_90840d105d.jpg" alt="ChromSolutions: Valve Box." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Chrom_Solutions_Analytical_Gas_Installations_5_90840d105d.jpg 243w," sizes="100vw" width="756" height="486"></figure><figure class="image"><img style="aspect-ratio:1195/354;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Chrom_Solutions_Analytical_Gas_Installations_6_aaa6d72aac.jpg" alt="ChromSolutions: Analytical Gas Installations." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Chrom_Solutions_Analytical_Gas_Installations_6_aaa6d72aac.jpg 245w," sizes="100vw" width="1195" height="354"></figure><figure class="image"><img style="aspect-ratio:1200/753;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Chrom_Solutions_Analytical_Gas_Installations_7_1c8997096e.jpg" alt="ChromSolutions: TOGA Analyser Gas Installation with Gas Tags." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Chrom_Solutions_Analytical_Gas_Installations_7_1c8997096e.jpg 245w," sizes="100vw" width="1200" height="753"></figure><figure class="image"><img style="aspect-ratio:1209/560;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Chrom_Solutions_Analytical_Gas_Installations_8_476410e829.jpg" alt="ChromSolutions: TOGA Analyser Gas Installation with Gas Tags." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Chrom_Solutions_Analytical_Gas_Installations_8_476410e829.jpg 245w," sizes="100vw" width="1209" height="560"></figure>

Analytical Gas Installations

In the week from March 31, the following webinars await you in the field of atomic and molecular spectroscopy and spectrometry<blockquote><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinars">👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</a>👉 Search and filter in the largest global database with over 4 500 GC, LC, MS and spectroscopy webinars.</blockquote><h5>1. Phenomenex: SPE Sorbent Quest: Discovering the Ideal Solution</h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Tuesday, April 1, 2025, 18:00 CEST</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4917">Registration</a></li></ul>Learn how to select the ideal SPE sorbent based on your analytes and impurities.<h5>2. Anton Paar: Automotive and aerospace</h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Tuesday, April 1, 2025, 19:00 CEST</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4454">Registration</a></li></ul>This webinar focuses on the critical testing of automotive and aerospace components, with an emphasis on evaluating the performance of functional coatings used in these industries.<h5>3. Bruker: TD-NMR Solutions for the Food &amp; Feed Industries: QA / QC and Research with Ease</h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Wednesday, April 2, 2025, 15:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4893">Registration</a></li></ul>Join us for an insightful webinar where we will explore how to use the full potential of TD-NMR with our minispec solutions in the food and feed industry.

Webinars LabRulezICPMS Week 14/2025

<h4>Introduction</h4>Since the very first release of <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1081">Mnova</a>, we have been (and still are!) very fortunate to include in the software the prediction of NMR spectra provided by Modgraph Consultants. It is really a privilege to offer prediction capabilities developed by the pioneers and leaders in the field for so many years. Nowadays, when Machine and Deep Learning techniques are so popular, it is worth remembering that the predictions commercialized by Modgraph have used Neural Networks (in addition to other methods, vide infra) for more than 25 years already.Modgraph pioneered the concept of combining several NMR prediction methods. For example, in the case of 13C Prediction, Modgraph combines a Neural Network prediction with the so-called <a target="_blank" rel="noopener noreferrer" href="http://www.modgraph.co.uk/product_nmr_HOSE.htm">HOSE prediction</a>, both developed by Professor Wolfgang Robien of the University of Vienna and recognized as to offer the most reliable C13 NMR predictions for many years. They have implemented a procedure that selects the “Best” C13 prediction for each atom from the two prediction methods (Neural Network + HOSE).Based on the idea that different predictors can be combined to form a potentially better predictor, we have added more predictors since Mnova version 14 which are combined (using a Bayesian approach) with two main objectives: (1) Improve overall prediction accuracy (2) Reduce the number of prediction outliers.<h4>The need of an ensemble NMR Prediction</h4>Leaving aside slow quantum mechanical (QM) calculations, usually by the gauge-invariant atomic orbital (GIAO), all fast NMR prediction methods use in one form or other databases of assigned data. In a nutshell, we can consider the following fast prediction approaches:<ul><li>Increments methods (look-up tables of fragments)</li><li>HOSE-code methods</li><li>Machine Learning methods</li></ul>The first two methods perform quite accurately as long as the predicted atom is well represented in the internal data base.However, no matter how large the database used, it is going to be extremely tiny compared to the actual chemical space (i.e. the universe of possible compounds). For example, there are more than 166 billion organic molecules up to 17 atoms of C, N, O, S, and halogens, sizes compatible with many drugs [1]. And if we consider larger molecules (e.g. MW up to 500), the best guess for the number of plausible compounds is around 1060. There is therefore an effectively endless frontier.On the other hand, whilst Machine Learning (ML) methods are known to show a higher extrapolation/interpolation power, the accuracy of the prediction will nevertheless be compromised to some extent by the similarity of the chemical environment of the atom to be predicted as compared to the data set used to train the ML model.In summary, the accuracy of these fast NMR predictors depends, to a greater or lesser extent, on the contents of the assigned database. And whilst there are very large databases such as those provided by Modgraph 13C NMRPredict, it will be impossible to cover the full chemical universe.But what if different prediction algorithms, trained with different data sets, are used together? In principle, one might expect that any deficiency of one of the available predictors can be compensated by any of the other predictors. This could help not only to get more accurate predictions but also to reduce the number of prediction outliers where the predicted values were exceptionally poor for a particular individual predictor.Actually, in the field of Machine Learning, the concept of combining multiple learning algorithms &nbsp;(e.g. classifiers) is quite popular and it is known as Ensemble Learning.<h4>Ensemble NMR Prediction</h4>Suppose that a chemical shift has been estimated by several ‘predictors’ and that each estimator can characterize in some way the ‘reliability’ of its own estimate (i.e. prediction confidence interval).How should one combine the various partial predictions and derive the statistical characteristics of the final outcome? This is a wide area of study, as there are many different special situations (contexts). A very naïve approach would consist in simply averaging the values. A weighted average using the confidence interval of each predictor would be probably a better approach. We have implemented a Bayesian mechanism that uses the information of the individual predicted chemical shifts (such as their distances) as well as their corresponding confidence intervals. A detailed description of the method is beyond the scope of this entry, but will be published elsewhere later.The overall idea is illustrated in the figure below. Mestrelab and Modgraph predictions are executed in the background. Each predictor gives both chemical shifts (δ) and an estimate of its reliability (σ). Next, those individual values are combined together to yield a final chemical shift and reliability.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Figure_1_Combination_of_several_individual_predictors_to_yield_a_final_prediction_7cd81fd8ca.jpg" alt="Mestrelab Research: Figure 1 - Combination of several individual predictors to yield a final prediction" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Figure_1_Combination_of_several_individual_predictors_to_yield_a_final_prediction_7cd81fd8ca.jpg 245w," sizes="100vw" width="895" height="380">In practice, this is how it works in Mnova. First of all, it is necessary to check the 1H or 13C Prediction options to ensure that different predictions are available. This might depend upon the licenses installed, but assuming that they are available, the options should look like this:<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Figure_2_13_C_Prediction_options_in_Mnova_14_f3196b0f82.jpg" alt="Mestrelab Research: Figure 2 - 13C Prediction options in Mnova 14" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Figure_2_13_C_Prediction_options_in_Mnova_14_f3196b0f82.jpg 182w," sizes="100vw" width="354" height="304">For the moment, Modgraph NMRPredict Server can be ignored. If the other two options are checked, when a prediction is issued, Mnova runs several predictors in the background. First, Mestrelab Predictor, which in fact, is formed by two different Machine Learning predictors (and both trained with different assigned data). Next, Modgraph Predictor is also executed (which in turn, uses two different predictors, vide supra). Finally, Mnova uses the Bayesian algorithm to combine all the individual chemical shifts and confidence intervals to yield the final predicted chemical shifts and confidence intervals.As a result, Mnova will show the unified, final results, but it is possible to visualize the individual values for each predictor by inspecting the Mnova log file, although this will not be covered in this post.<h4>Some results</h4>To illustrate the benefits offered by the combination of several predictors a simple exercise has been conducted. A small set of 13 assigned molecules abstracted from the literature has been used. This was done by an internship student who had no knowledge about the contents of the Mnova prediction assigned DBs. In principle, the ideal set of molecules should be those that were not contained within the internal prediction DBs or used in the Machine Learning training sets. However, it was found that these molecules are actually pretty well represented in the internal DBs, as shown in Table 1. It can be seen that most of the Carbon atoms can be described by 4 or 5 shells. This is not a coincidence: it confirms the high quality (and huge size) of the Modgraph’s 13C HOSE DB!<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Table_1_Distribution_of_number_of_shells_for_the_molecules_used_in_this_test_9ac66b645e.jpg" alt="Mestrelab Research: Table 1 - Distribution of number of shells for the molecules used in this test." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Table_1_Distribution_of_number_of_shells_for_the_molecules_used_in_this_test_9ac66b645e.jpg 245w," sizes="100vw" width="252" height="125"> Nevertheless, bearing this point in mind, this small set of molecules should be good enough for this simple exercise. The overall results are summarized in Table 2.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Table_2_Mean_absolute_errors_for_the_individual_and_ensemble_predictor_f01a1974d9.jpg" alt="Mestrelab Research: Table 2 - Mean absolute errors for the individual and ensemble predictor" width="194" height="100"> First, it can be observed that the Mean Absolute Error (MAE) of Modgraph is remarkably low (1.63 ppm), reflecting the previous point that showed that most of the atoms in the test set are represented by 4 or 5 shells. The other two predictors (Machine Learning 1 and Machine Learning 2) also yield very good results, although slightly worse than Modgraph.The question is: can those 3 predictors be combined in such a way that the result is better than all the individual predictors? That is the goal of the ensemble predictor and, as it is shown in Table 1, this is indeed the case: the ensemble predictor has a MAE = 1.3, a value which, in the context of 13C NMR prediction can be considered as exceptionally good.Somehow, the ensemble predictor attempts to compensate any deficiencies of any of the individual predictors. For this to work, it is crucial that each predictor provides a reliable confidence interval and a very significant effort has been put into that. Additional insights can be extracted by analyzing the histograms of the prediction errors for the individual and final ensemble predictors. They are shown in Table 3 and Figure 3.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Table_3_Distribution_of_prediction_errors_for_the_different_individual_predictors_as_well_as_for_the_final_ensemble_result_4107e5f4d6.jpg" alt="Mestrelab Research: Table 3 - Distribution of prediction errors for the different individual predictors as well as for the final, ensemble result." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Table_3_Distribution_of_prediction_errors_for_the_different_individual_predictors_as_well_as_for_the_final_ensemble_result_4107e5f4d6.jpg 239w," sizes="100vw" width="1321" height="862"><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Figure_3_Histrogram_plot_corresponding_to_the_data_shown_in_Table_3_b7511c7058.jpg" alt="Mestrelab Research: Figure 3 - Histrogram plot corresponding to the data shown in Table 3" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Figure_3_Histrogram_plot_corresponding_to_the_data_shown_in_Table_3_b7511c7058.jpg 245w," sizes="100vw" width="342" height="207"> The most obvious conclusion that can be drawn from these histograms is that the ensemble method helps to group the prediction error around the low MAE zone and hence, reduce the number of large prediction errors. In other words, this method assigns a higher weight in the final prediction result to that prediction with a smaller confidence interval. However, it is important to bear in mind that this is an oversimplification as the Bayesian algorithm not only uses the confidence interval but also the distance in the predicted chemical shifts amongst the different predictors.To complement this article, &nbsp;you can see some some results for 1H NMR data in the this blog post where a few assigned molecules were taken from the literature.

Ensemble NMR Prediction

Our Library never stops expanding. What are the most recent contributions to LabRulezICPMS Library in the week of 31th March 2025? Check out new documents from the field of spectroscopy/spectrometry and related techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT SPECTROSCOPY/SPECTROMETRY RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">LabRulezGCMS</a> libraries.</blockquote>This week we bring you application notes by Agilent Technologies and Shimadzu and other document by Thermo Fisher Scientific!<h3>1. Agilent Technologies: Enhanced RoHS Compliance Testing with Agilent <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?manufacturerItems=1&amp;search=5800+ICP-OES&amp;sources=GCMS_EN-ICPMS_EN">5800 ICP-OES</a></h3>Accurate measurement of multiple elements including Cd, Cr, Pb, and Hg in plastic materials<ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_rohs_compliance_testing_5800_icp_oes_5994_8252en_agilent_d8b5f5a791.pdf">Full PDF for download</a></li></ul>The volume of waste electrical and electronic equipment (WEEE) is one of the fastest-growing waste streams worldwide. Over 62 million tonnes was generated globally in 2024.1 However, only a small fraction of this waste is properly recycled, contributing to environmental pollution and the loss of valuable materials. To address this issue and to improve the safety of electrical and electronic equipment (EEE), the EU first introduced the Restriction of Hazardous Substances (RoHS) directive in 2003.2 By restricting the use of specific hazardous materials such as lead, mercury, cadmium, hexavalent chromium, and certain flame retardants, RoHS helps ensure that products are safer for both consumers and the environment.3 As the design, type, and production of EEE evolve, ensuring compliance with RoHS regulations becomes increasingly challenging for manufacturers, importers, and distributors. Plastics, such as polyethylene (PE), polycarbonate, polystyrene, polyethylene terephthalate (PET), polyvinylchlorate (PVC), and acrylonitrile butadiene styrene (ABS), are often used in EEE because of their unique properties and cost-effectiveness.4 Manufacturers must rigorously test these materials using advanced analytical techniques to detect and quantify restricted substances, ensuring compliance with the stringent limits set by the directive. Among these techniques, Inductively Coupled Plasma Optical Emission Spectroscopy (ICP-OES) is one of the most effective tools for analyzing elements in plastics in accordance with RoHS regulations.5&nbsp;This application note describes a RoHS-compliant testing method for the multi-elemental analysis of plastics using an Agilent 5800 Vertical Dual View (VDV) ICP-OES. The methodology includes detailed procedures for sample preparation of a PE Certified Reference Material (CRM) and two real-life plastic materials used in EEE, instrument parameters, and performance evaluation. Quantitative results for arsenic (As), cadmium (Cd), chromium (Cr), lead (Pb), mercury (Hg), tin (Sn), antimony (Sb), sulfur (S), and zinc (Zn) are presented. The data set demonstrates the suitability of the method for supporting manufacturers in achieving RoHS compliance with a high level of efficiency and accuracy.<h4>Results and discussion</h4><h5>Sample analysis – spike recovery and precision&nbsp;</h5>Spike recovery tests in a sample matrix are an effective way to evaluate the reliability of the sample preparation and/or analytical methods, especially when suitable CRMs are unavailable. In this study, in addition to the analysis of the CRM, two real-life samples (A and B) were analyzed using the 5800 VDV ICP-OES. The measured concentrations of the analytes and spike recovery results are shown in Table 6. The spike recoveries for all analytes were within 94 to 108%, except for Sn in sample A, which had a spike recovery of 88%. This lower recovery could be due to the high measured concentration of Sn in sample A.&nbsp;However, the recovery of Sn in the CRM was 104%, assuring the method’s accuracy. The %RSD of the spike recovery measurements (n=3) was used to evaluate the method’s precision. As shown in Table 6, the spike recovery RSDs were ≤2.3% for all nine analytes in both samples A and B. This method validation data confirms the effectiveness of the microwave digestion sample preparation procedure for these materials. The results also demonstrate the excellent reproducibility and reliability of the 5800 VDV ICP-OES method for the analysis of complex plastic matrices.<h4>Conclusion&nbsp;</h4>The Agilent 5800 VDV ICP-OES was used for the quantitative analysis of nine elements including RoHS-specified elements, Cd, Cr, Pb, and Hg, in plastics that are typically used in electrical and electronic equipment (EEE). The samples included a plastic-based CRM (ERM-EC 681, polyethylene) and two real-life plastic matrices used in consumer electronics and electric vehicles. A one-stage microwave digestion sample preparation procedure ensured the complete digestion of these tough thermoplastic materials, facilitating accurate analysis by ICP-OES.&nbsp;The 5800 ICP-OES demonstrated outstanding sensitivity, accuracy, and stability, making it a reliable solution for EEE manufacturers required to comply with RoHS or equivalent testing standards. The Intelligent Rinse software feature of Agilent ICP Expert Pro streamlined operations by automatically adjusting rinse times based on user-defined thresholds, saving time and resources, and lowering the overall costs of analysis. This study highlights the 5800 ICP-OES instrument’s capability to deliver precise and consistent results, supporting the industry’s need for rigorous and reliable RoHS compliance testing.<h3>2. Shimadzu: Simultaneous Multi-Element Analysis of Farmland Soil ExtractsUsing the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?manufacturerItems=3&amp;search=ICPE-9820&amp;sources=ICPMS_EN">ICPE-9820</a>&nbsp;</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00815_en_bd40243933.pdf">Full PDF for download</a></li></ul><h4>User Benefits:</h4><ul><li>The ICPE-9820 can quickly analyze farmland soil for multiple elements simultaneously.</li><li>The ICPE-9820 can analyze high matrix samples without dilution, such as farmland soil solution extracts.</li></ul>Since soil contains constituents essential for crop growth that affect yield and quality, there is increasing demand for soil testing to help maintain optimum concentrations of soil constituents. Soil testing can determine the concentrations of these constituents and then create an optimized fertilization regimen to adjust them. Elemental analysis in soil testing is typically performed with an atomic absorption spectrophotometer (AAS). However, as soil testing becomes more common, there is a growing demand for faster soil analysis.&nbsp;The ICPE-9820, an inductively coupled plasma atomic emission spectrophotometer (ICP-AES) offers a wide dynamic range and can analyze multiple elements simultaneously. Soil testing analyzes soil for a large number of elements, and the ICPE-9820 can perform extremely efficient analyses that measure major and trace constituentssimultaneously.&nbsp;In this Application News, the ICPE-9820 analyzed farmland soil solution extracts for exchangeable constituents, available boron, trace elements and cadmium. And a spike recovery test and a dilution test were then performed to validate this analytical method.<h4>Conclusion&nbsp;</h4>In this Application News, the ICPE-9820 and extraction reagents normally used in soil testing were used to analyze three farmland soil solution extracts for exchangeable constituents, available boron, trace elements and cadmium. The results from validation testing show the analytical method was accurate. Using an axial view and radial view of plasma for different purposes allowed major constituents and trace constituents to be measured simultaneously without diluting samples for individual target analytes.<h3>3. Thermo Fisher Scientific: Driving productivity through reliable analysis with reduced complexity</h3><ul><li>Other document (case study)</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/cs_003220_tea_icp_ms_icap_mx_series_element_cs003220_na_en_b888bf9432.pdf">Full PDF for download</a></li></ul>Element Material Testing Group is one of the world’s leading providers of testing, inspection, and certification. Element offers one of the most comprehensive ranges of materials testing services available in the Testing, Inspection, and Certification (TIC) sector that covers materials selection, application, and performance testing as well as failure analysis testing services. With over 9,000 employees and 270 laboratories, Element is providing their services worldwide to 55,000 customers working in diverse sectors including aerospace, energy, environmental, industrials, and life sciences.&nbsp;The Element Edmonton laboratory is ISO 17025 accredited, specializing in inorganic analysis. With three <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products?category=228&amp;manufacturerItems=3">ICP-MS</a> and five<a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products?category=251&amp;manufacturerItems=3"> ICP-OES</a> systems, it analyzes for inorganic metals in soils and waters. Typical clients come from different industries such as oil and gas, construction, agriculture, municipal drinking water, and many more.&nbsp;Alexsandra Robert is a senior scientist who has been working with the company for 20 years, with over 15 years of experience with ICP analysis. ICP-MS analyses performed at the Edmonton facility are primarily testing for heavy metal contaminant levels in soil and water. “As the primary production lab for Element in Alberta, we currently analyze over 40,000 soils and 15,000 waters annually for metals,” stated Alexsandra.&nbsp;Analysis of soils and waters for elemental contaminants or minerals is typically performed using either Inductively Coupled Plasma – Optical Emission Spectroscopy (ICP-OES) or Inductively Coupled Plasma – Optical Mass Spectroscopy (ICP-MS) to satisfy the different analytical and regulatory requirements of customers. “The choice between ICP-OES and ICP-MS is largely driven by factors such as required detection limits, number of analytes, regulatory guidelines, and type of information requested by our clients,” Alexsandra further illustrated.Busy analytical testing laboratories experience tremendous workloads and need to ensure that reliable results are delivered to their valued customers in time. Alexsandra noted, “Achieving reliable analytical results with minimum time and resources is very critical to the overall success of any analytical laboratory.” A Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1487">iCAP™ MSX ICP-MS</a> driven by Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1489">Qtegra™ Intelligent Scientific Data Solution Software</a> was added to the instrumental portfolio of the Element laboratory in Edmonton and has been in use for testing of environmental samples including ground waters, lake waters, surface waters, and different types of soil samples. Whereas the analysis of water samples is relatively straightforward, soil samples need to be acid digested either by microwave or hot plate digestion before introducing them into the ICP-MS for analysis. Samples are typically diluted off-line prior to analysis using ultrapure diluent to ensure that total dissolved solids in samples do not exceed the tolerance level of ICP-MS instruments. Alexsandra provided insight on the typical workflow of an environmental laboratory, “For laboratories analyzing hundreds of samples every day, off-line liquid dilution is a tedious, error-prone, and expensive analytical step as it requires time, manual intervention, and expensive reagents and apparatus.”

News from LabRulezICPMS Library - Week 14, 2025

<a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/article/5170">Get ready for Mbook 4.0!</a> This release introduces a modern, redesigned interface with intuitive navigation and an advanced search filtering system, making ELN management more efficient and user-friendly than ever. With a refined role architecture, enhanced experiment setup, and upgraded inventory management, Mbook 4.0 is built to optimize your laboratory workflow.With Mbook 4.0, effortlessly track projects, manage inventory, generate reports, and collaborate seamlessly - all designed to enhance efficiency and optimize every stage of your workflow. Discover the latest features and improvements below and take your chemistry lab management to the next level.<h4>1. Modern Interface, Multi-Session, and Cross-Device Compatibility</h4>Mbook 4.0 presents a refreshed interface with an intuitive design that simplifies navigation and enhances usability. The improved system integrates advanced filters, enabling you to efficiently search for projects, experiments, groups, users, compounds, or bottles in just a few clicks.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Figure_1a_Redesigned_Mbook_interface_3d3f9b7156.webp" alt="Mestrelab Research: Figure 1a. Redesigned Mbook interface" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Figure_1a_Redesigned_Mbook_interface_3d3f9b7156.webp 245w," sizes="100vw" width="1920" height="1080">A major productivity boost comes with multi-session support, allowing users to open and manage multiple sessions simultaneously in separate browser tabs or windows. Effortlessly switch between projects without losing progress, compare data across different experiments, or explore your inventory while reviewing a reaction-all without losing progress.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Figure_1b_Multitasking_with_multiple_Mbook_sessions_8e72fa13db.webp" alt="Mestrelab Research: Figure 1b. Multitasking with multiple Mbook sessions" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Figure_1b_Multitasking_with_multiple_Mbook_sessions_8e72fa13db.webp 245w," sizes="100vw" width="1920" height="1080">Additionally, Mbook is now fully compatible with web browsers on tablets and phones, providing cross-device accessibility, ensuring you can access your ELN anytime, anywhere.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Figure_1c_Mbook_accessible_across_different_devices_a5b4acfe7b.webp" alt="Mestrelab Research: Figure 1c. Mbook accessible across different devices." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Figure_1c_Mbook_accessible_across_different_devices_a5b4acfe7b.webp 245w," sizes="100vw" width="1920" height="1080"><h4>2. Advanced Roles and Customizable Permissions</h4>Mbook 4.0 introduces an enhanced additive role and permissions system, enabling organizations to tailor user access according to specific needs. Assign different roles to users and customize specific permissions for each role or combination of roles, ensuring improved security, seamless collaboration, and optimized workflow efficiency.To further enhance security, new users are required to verify their email before gaining access, ensuring that only legitimate accounts are activated.The new “Inventory manager” role has been introduced to streamline stock management, making it ideal for users dedicated to handling inventory tasks. This role can also be assigned alongside other responsibilities, offering flexibility in lab operations and ensuring more efficient resource management.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Figure_2_New_roles_and_permissions_workflow_including_the_Inventory_manager_role_a7bdbc47ae.webp" alt="Mestrelab Research: Figure 2. New roles and permissions workflow, including the Inventory manager role" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Figure_2_New_roles_and_permissions_workflow_including_the_Inventory_manager_role_a7bdbc47ae.webp 245w," sizes="100vw" width="1920" height="1080"><h4>3. Inventory Improvements</h4>With the new filter capabilities, locating any compound in the Compound DB or in the Stockroom is faster and more efficient, streamlining your Inventory inquiries.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Figure_3a_Advanced_filters_for_quick_compound_search_in_Mbook_Inventory_98a1763802.webp" alt="Mestrelab Research: Figure 3a. Advanced filters for quick compound search in Mbook Inventory" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Figure_3a_Advanced_filters_for_quick_compound_search_in_Mbook_Inventory_98a1763802.webp 245w," sizes="100vw" width="1920" height="1080">Another key feature is the Bottles stock report, now available as a CSV file. This report provides a detailed overview of all bottle-related data in Mbook, allowing for more efficient inventory tracking and seamless in-situ stock verification.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Figure_3b_New_Bottles_Export_report_in_CSV_format_5cea350130.webp" alt="Mestrelab Research: Figure 3b. New Bottles Export report in CSV format" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Figure_3b_New_Bottles_Export_report_in_CSV_format_5cea350130.webp 245w," sizes="100vw" width="1920" height="1080"><h4>4. New Experiments capabilities</h4><h5>Improved reaction scheme</h5>Easily clone compounds with a single step, eliminating the need to redraw molecules and saving valuable time.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Figure_4a_9edb852456.webp" alt="Mestrelab Research: Figure 4a. Clone compounds within a reaction scheme" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Figure_4a_9edb852456.webp 245w," sizes="100vw" width="1920" height="1080"><h5>Enhanced text editor</h5>The experiment description section now includes:<ul><li>New formatting options: customizable text sizes, headers, background text colors.</li><li>The ability to insert images, links, formulas, tables, and quotes.</li><li>Image upload support directly from your PC, tablet, or phone for quick documentation.</li></ul><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Figure_4b_Improved_text_editor_with_enhanced_features_d895ce7a10.webp" alt="Mestrelab Research: Figure 4b. Improved text editor with enhanced features" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Figure_4b_Improved_text_editor_with_enhanced_features_d895ce7a10.webp 245w," sizes="100vw" width="1920" height="1080"><h4>5. Enhanced Printable Reports</h4>All reports in Mbook have been redesigned for a more professional look, ensuring they align with your organization’s branding and compliance needs.<ul><li>Customization Options: Display your organization’s logo or add compliance signing fields.</li><li>Improved Performance: A new report engine significantly reduces generation time, allowing for faster access to reports.</li></ul><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Figure_5_Updated_Mbook_report_templates_6dfdb264e4.webp" alt="Mestrelab Research: Figure 5. Updated Mbook report templates" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Figure_5_Updated_Mbook_report_templates_6dfdb264e4.webp 245w," sizes="100vw" width="1920" height="1080"><h4>6. Compound Exportation</h4>Mbook 4.0 now supports exporting compounds from the Compound Database as CSV or SDF files. Whether you need to export a single compound or a fully configurable list, this feature provides flexibility tailored to your workflow.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Figure_6_Export_Compound_DB_as_CSV_or_SDF_files_88cde33463.webp" alt="Mestrelab Research: Figure 6. Export Compound DB as CSV or SDF files" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Figure_6_Export_Compound_DB_as_CSV_or_SDF_files_88cde33463.webp 245w," sizes="100vw" width="1920" height="1080"><h4>7. Mnova Console Upgrade</h4>The Mnova console in Mbook 4.0 has been updated to version 15.1, bringing enhanced data processing, visualization, and reporting capabilities.<ul><li>Background Processing: The Mnova console now runs in the background, allowing you to continue working in Mbook while receiving a notification once processing is complete.</li></ul><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Figure_7_Continue_working_in_Mbook_while_Mnova_15_1_processes_data_in_the_background_24c5a3aafd.webp" alt="Mestrelab Research: Figure 7. Continue working in Mbook while Mnova 15.1 processes data in the background" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Figure_7_Continue_working_in_Mbook_while_Mnova_15_1_processes_data_in_the_background_24c5a3aafd.webp 245w," sizes="100vw" width="1920" height="1080">

Mbook 4.0 What’s New – Top Features

In a laboratory environment, water quality plays a crucial role in conducting analytical methods, preparing chemical solutions, and ensuring the accuracy and reproducibility of experiments. Even minimal contamination can negatively impact analytical results, making it essential to ensure an appropriate level of water purity.&nbsp;Modern laboratory applications require different levels of water purification depending on the specific process requirements, and the choice of a suitable system depends on several factors, including the quality of the feed water, the required purity, the technological solution, and operational costs. This article focuses on the key aspects to consider when selecting a laboratory water purification system.<h4>Required Water Quality&nbsp;</h4>When selecting a water purification system, it is essential to determine the required water quality according to its intended use:&nbsp;<ul><li>Type I (ultrapure water) – suitable for sensitive analytical methods such as HPLC, ICP-MS, or PCR.&nbsp;</li><li>Type II (pure water) – used for buffer preparation, culture media, or clinical applications.&nbsp;</li><li>Type III (technical water) – suitable for washing laboratory glassware, autoclaves, or other technical applications.&nbsp;</li></ul><blockquote><a target="_blank" rel="noopener noreferrer" href="https://watrex.com/download/Watrex_Water_2024.pdf?utm_source=labrulez&amp;utm_medium=propagace&amp;utm_campaign=labrulez_clanky">View the Watrex Praha Water System Catalog.&nbsp;</a></blockquote><h4>Feed Water Quality&nbsp;</h4>Before selecting a system, it is advisable to analyze the feed water, which may come from the municipal water supply or pre-treated sources, to allow the supplier to recommend the most suitable system for your needs. Parameters such as ion content, organic substances, and microbial contamination can influence the suitability of a specific system.&nbsp;<h4>Purification Technologies&nbsp;</h4>Modern water purification systems combine several technologies to achieve the required purity:&nbsp;<ul><li>Filtration – mechanical filtration is the first step in the purification process, removing solid particles such as sediments, rust, and other mechanical impurities. Filters with different pore sizes (e.g., 5 μm or 0.2 μm) are used depending on the required water purity.&nbsp;</li><li>Activated Carbon – this step removes chlorine, organic contaminants, and certain volatile organic compounds (VOCs). Activated carbon absorbs chemicals that could affect analytical methods or cause unwanted reactions.&nbsp;</li><li>Reverse Osmosis (RO) – one of the most effective methods for removing dissolved salts, heavy metals, bacteria, and most organic impurities. This technology uses a semi-permeable membrane that allows water to pass through while retaining most contaminants, significantly reducing water conductivity.&nbsp;</li></ul><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Watrex_10_obr_2_f34963c57b.jpg" alt="Watrex img.2: Reverse osmosis filter connection scheme. " srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Watrex_10_obr_2_f34963c57b.jpg 245w," sizes="100vw" width="1600" height="947"><ul><li>Deionization (DI) – this method uses ion exchange resins to replace cations (e.g., Ca²⁺, Mg²⁺, Na⁺) and anions (e.g., Cl⁻, SO₄²⁻) with hydrogen (H⁺) and hydroxide (OH⁻) ions, resulting in nearly ion-free water. This technology is essential for producing ultrapure water.&nbsp;</li><li>Ultraviolet (UV) Radiation – used for water disinfection and organic matter breakdown. UV radiation at a wavelength of 185 nm effectively reduces total organic carbon (TOC) content, while UV at 254 nm is used for bacterial and viral inactivation.&nbsp;</li><li>Ultrafiltration (UF) – this technology utilizes membranes with pore sizes smaller than 0.01 μm, effectively removing bacteria, endotoxins, pyrogens, and other biological contaminants. It is essential in applications requiring the elimination of biological contamination, such as buffer preparation for cell cultures.&nbsp;</li><li>Electrodeionization (EDI) – an advanced technology combining ion exchange resins with an electrochemical regenerator, enabling continuous operation without chemical regeneration. The result is water with exceptionally low conductivity and minimal contamination.&nbsp;</li></ul><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Watrex_10_1_e24a944b21.jpg" alt="Watrex img.3: Types of purification technologies. " srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Watrex_10_1_e24a944b21.jpg 245w," sizes="100vw" width="1600" height="755">The choice of the right combination of these technologies depends on the required water purity and its laboratory application.&nbsp;<h4>Capacity and Flow Rate&nbsp;</h4>The system selection should match the laboratory's daily water consumption. For example, small laboratories may require 10–50 L/day, while large research facilities may need hundreds of liters per day. The system's flow rate should be sufficient for efficient operation and rapid container filling.&nbsp;<h4>Maintenance, Service, and Supplier Selection&nbsp;</h4>When selecting a system, it is important to consider operating costs, including filter replacement, resin exchange, and other components. Regular maintenance is essential for maintaining optimal functionality and water quality.&nbsp;In addition to technical parameters, the availability of spare parts and manufacturer service support should also be considered. Reputable suppliers typically offer warranty and post-warranty service, which is crucial for the long-term reliability of the system. Thanks to its own service team, <a target="_blank" rel="noopener noreferrer" href="https://watrex.com/?utm_source=labrulez&amp;utm_medium=propagace&amp;utm_campaign=labrulez_clanky">Watrex Praha</a> provides all needs from maintenance and service to the availability of all necessary spare parts and filters for its <a target="_blank" rel="noopener noreferrer" href="https://watrex.com/kategorie-produktu/water-purification/?utm_source=labrulez&amp;utm_medium=propagace&amp;utm_campaign=labrulez_clanky">own water systems</a> or HealForce brand water systems.<h4>Conclusion&nbsp;</h4>The selection of a laboratory water purification system should be carefully considered based on the specific requirements of the workplace. Key factors include the required water purity, feed water parameters, purification technologies, capacity, operating costs, and service availability. Investing in the right system ensures optimal conditions for laboratory experiments and the protection of sensitive analytical methods. At Watrex Praha, we are fully available to assist you in selecting the best solution for your needs! Contact us at watrex@watrex.com or visit our website at <a target="_blank" rel="noopener noreferrer" href="https://watrex.com/?utm_source=labrulez&amp;utm_medium=propagace&amp;utm_campaign=labrulez_clanky">www.watrex.com.</a>

Selection of a Water Purification System for the Laboratory: Key Factors and Recommendations

In the week from April 7, the following webinars await you in the field of atomic and molecular spectroscopy and spectrometry<blockquote><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinars">👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</a>👉 Search and filter in the largest global database with over 4 500 GC, LC, MS and spectroscopy webinars.</blockquote><h5>1. Thermo Fisher Scientific: Simultaneous polyclonal antibody sequencing and epitope mapping by cryo-electron microscopy and mass spectrometry</h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Wednesday, April 9, 2025, 17:00 CEST</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4919">Registration</a></li></ul>Learn how to characterize antigen-specific antibodies from serum using a combined cryo-EM and LC-MS/MS approach for simultaneous antibody sequencing and epitope mapping.<h5>2. Thermo Fisher Scientific: Enhancing Cement Quality Control with the ARL X900 Spectrometer</h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Thursday, April 10, 2025, 15:00 CEST</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4920">Registration</a></li></ul>This session will demonstrate how the ARL X900 spectrometer ensures consistency and strength in cement products by providing accurate and reliable elemental analysis.<h5>3. Anton Paar: Optimizing Inline Analysis of Fruit and Vegetable-Based Foods</h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Thursday, April 10, 2025, 18:00 CEST</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4557">Registration</a></li></ul>An overview of both bench-top and inline instruments to measure critical parameters including refractive index, density, concentration, etc., and sample preparation for heavy metal analysis.

Webinars LabRulezICPMS Week 15/2025

News from LabRulezICPMS Library - Week 15, 2025

As a child, Tomáš Čermák couldn’t look people in the eye or easily form relationships. He spent nearly three years in the hospital. But the eighteen-year-old has come a long way since then. Now a graduating high school senior, he is working with the Czech Academy of Sciences, preparing to go study abroad, and racking up one award after another. Most recently, Čermák and nineteen-year-old Anna Podmanická were named European winners of The Earth Prize 2025 for their project PURA, the innovative technology they developed for water purification. On this occasion, we’re showcasing our interview with Tomáš Čermák, first published (in Czech) in the autumn 2024 issue of the popular science magazine of the CAS, A / Easy.<h4>You’ve got your high school exit exam coming up at the end of the school year… but you don’t spend time in class with your classmates.</h4>I haven’t actually been attending school for quite a while now – I have an individual study plan. Not primarily because of my scientific work, but originally mainly for health reasons. I’m a diagnosed autistic person, and when I started to study at a selective high school, my health completely collapsed. What followed was basically three years spent in the hospital.<h4>That sounds like a really rough start to your studies.</h4>At eleven, I ended up on IV drips, and I have a complete blackout regarding about six months of my life. Still, I think this extreme experience ended up giving me a lot. It helped me sort out my values in life – and today, I think I have a better sense of what really counts as a problem. And I’ve been working on myself.<h4>So you never went back to school. How do you keep up your education?</h4>I learn independently, on my own. I study subjects in blocks – one week I focus on chemistry, the next on history, and so on. I put together detailed summaries from the studied material and upload them to the website Výpisky.com, which I founded and made freely accessible. I go to school regularly for assessments and exams.<h4>You openly talk about autism – you consider it important for people to know more about it. Can you describe how it affects you?</h4>It changes over time. These days I have no problem looking people in the eye. Six years ago, I wouldn’t have been able to do it. Autistic people do feel emotions, but we might not really understand them at first – our brains work a little differently. For a long time, I found the world incomprehensible, as if I’d fallen to Earth from Planet Autistan.<h4>And yet here I am, talking to a smiling, communicative young man.</h4>That transformation took years of therapy. And also years of watching people – how they behave, the expressions they make when they talk. To me it felt unnatural to look people in the eye or shake their hands. But I realized it was going to be a necessary part of communication.<h4>So you tried to imitate others?</h4>I used the trial-and-error method. Of course, I don’t want to speak for all autistic people, but some of us are a bit like artificial intelligence. We’re very quick learners, soaking up everything around us like sponges. As a child I had serious issues, and at one point, no one would have probably guessed I’d ever function normally. I think it’s incredibly important to say this: No child is a lost cause!<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/AVCR_I_stredoskolak_muze_pusobit_v_Akademii_ved_CR_Jednou_z_moznosti_jsou_staze_Otevrene_vedy_Tomas_se_ale_na_Ustav_fyziky_plazmatu_AV_CR_dostal_vlastni_cestou_proste_oslovil_tamni_vedce_592fd1172a.jpg" alt="AVČR: Even a high school student can work at the Czech Academy of Sciences. One way is through the Open Science internship program, but Tomáš forged his own path to the Institute of Plasma Physics of the CAS – he simply reached out to the researchers there." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_AVCR_I_stredoskolak_muze_pusobit_v_Akademii_ved_CR_Jednou_z_moznosti_jsou_staze_Otevrene_vedy_Tomas_se_ale_na_Ustav_fyziky_plazmatu_AV_CR_dostal_vlastni_cestou_proste_oslovil_tamni_vedce_592fd1172a.jpg 235w," sizes="100vw" width="460" height="306"><h4>You’re living proof of that. You haven’t even graduated high school yet, and you’re already involved in the scientific community and have experience working with two research institutes of the Czech Academy of Sciences (CAS), no less: the Institute of Plasma Physics of the CAS and the Institute of Physics of the CAS. What drew you to physics in particular?</h4>It provides answers about how the world around us works. But I’ll be totally honest: if my first encounter with physics had only been through a school textbook, I might never have gotten into it. I completely get anyone who doesn’t like physics in school. I get that having to memorize “formulas out of nowhere” can turn a lot of people off the subject.<h4>Where did your interest in science come from?</h4>I’ve always had a curious mind and a passion for discovering new things. But what really sparked my interest was a university-level Advanced Placement (AP) course offered in the Czech Republic by the Center for Talented Minds. The course is taught online in English. I’ve taken four AP exams in total – two in physics, one in economics, and another in calculus.<h4>So how did you go from online courses to doing research at the Institute of Plasma Physics of the CAS?</h4>At the start of the COVID pandemic, there was a huge problem with an initial shortage of respirators. I started looking into whether there were any ways to sterilize them, and I found out that cold plasma could potentially be used for that. It inspired me, and I began assembling a small device intended for this purpose at home. But at a certain point, I hit a wall – I didn’t know how to continue, so I set the project aside. Then I picked it up again, only to set it aside again...<h4>But the idea didn’t stay on ice forever.</h4>About a year and a half ago, I realized I wanted to revisit the topic. I started digging into the available academic research literature and decided to reach out to associate professors working in plasma physics here in the Czech Republic. That’s how I got in touch with Tomáš Homola from the Institute of Plasma Physics of the CAS.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/AVCR_Student_Tomas_Cermak_v_laboratori_Ustavu_fyziky_plazmatu_AV_CR_podzim_2024_9074a1fa06.jpg" alt="AVČR: Student Tomáš Čermák in the lab at the Institute of Plasma Physics of the CAS (autumn 2024)." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_AVCR_Student_Tomas_Cermak_v_laboratori_Ustavu_fyziky_plazmatu_AV_CR_podzim_2024_9074a1fa06.jpg 235w," sizes="100vw" width="460" height="306"><h4>Respirator disinfection could probably be done in other ways too – so why plasma?</h4>Respirators are made of very sensitive materials that are tricky to sterilize. Most chemical methods, for instance, can damage the nanofibers, while UV light can’t reach the tiniest gaps in the material, so it only disinfects the surface... That means we need a method that doesn’t generate high heat or pressure, so it doesn’t degrade the material. And cold plasma fits the bill.<h4>What exactly is it? Is there such a thing as hot plasma too?</h4>There are two basic types of plasma. The first is called equilibrium plasma, because the activated particles in it are in thermal equilibrium with their surroundings – this is hot plasma, and stars are an example of that. Then there’s non-equilibrium (or nonthermal) plasma, where the particles aren’t in balance, and this type of plasma can easily be at room temperature. That’s called cold plasma.<h4>For your device, you used a type of plasma discharge called a corona discharge. What should we picture here?</h4>It’s a type of electrical discharge in gases that forms at highly curved regions of electrodes. In the reactor I built, I use the tips of medical needles to generate a corona discharge. The corona is visible to the naked eye – it looks like a faint glow around the needle tips. If you’re lucky, you can sometimes catch a glimpse of a corona discharge on high-voltage power lines during thunderstorms.<h4>Your original goal was to create a device for disinfecting respirators. Did it work out?</h4>For this project, I set four goals. The first was to construct the device itself, the second was to characterize the physics of the corona discharge, the third focused on bacteria, and the fourth on wastewater. In the research phase, I defined certain phenomena associated with corona discharges in alternating current – for instance, why its performance drops in the presence of water, or why it increases when the amount of gas rises.<h4>What did you find out about the bacteria?</h4>It turns out the device really can be effective at killing bacteria. It’s capable of destroying about ninety-eight percent of bacteria in three minutes! I also identified how the corona affects bacteria – twenty-five percent of the effect is from UV radiation. The output gases in the corona have a negligible effect – less than five percent.<h4>And what about its potential for treating wastewater?</h4>We tested the device on over a hundred substances – things like analgesics, antibiotics, and antidepressants. For some of them, the results were quite impressive. After ninety seconds of plasma treatment, the water sample contained seventy-five percent less sulfonamide antibiotics, sixty percent less of the anesthetic ketamine, and seventy percent less sertraline, which is used to treat depression. (Note: This is the core of Čermák’s award-winning PURA project – it involves purifying water of pharmaceuticals and pollutants using a combination of plasma and photocatalysis).<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/AVCR_Prototyp_pristroje_ktery_Tomas_vyvinul_a_testoval_v_Ustavu_fyziky_plazmatu_AV_CR_078c67b014.jpg" alt="AVČR: Prototype of the device that Tomáš Čermák developed and tested at the Institute of Plasma Physics of the CAS." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_AVCR_Prototyp_pristroje_ktery_Tomas_vyvinul_a_testoval_v_Ustavu_fyziky_plazmatu_AV_CR_078c67b014.jpg 235w," sizes="100vw" width="460" height="306"><h4>So would your invention actually be able to clean the respirators that started off this whole journey?</h4>So far, all our experiments have been done using aqueous solutions with bacteria and other substances in Petri dishes. It would be possible to place the respirator itself into the device, but it’s not something we’ve tried in this phase of the research yet. We have to design an experiment in a way that will yield measurable results. We need to be able to reliably measure what the device does to both the respirator and the microorganisms it contains.<h4>You started building the first version of the device at home, but the final prototype was developed in the lab at the Institute of Plasma Physics of the CAS. How much work went into it?</h4>I was constructing the reactor last summer [2024], alternating between home and the lab. In autumn, I dove into determining the physical characteristics of the corona, running experiments, taking measurements, and so on. From September to December, I spent an estimated two hundred hours in the lab. I got a lot of help during the experimental part from Jiří Fujera, a PhD student working with Tomáš Homola.<h4>Do you think other students have a shot at getting involved with top research institutions at such a young age?</h4>In theory, yes. The opportunity is there for anyone, but it takes enormous stamina, discipline, and the courage to risk rejection. Someone once told me it was rude to reach out to associate professors directly, but I stand by my approach – because honestly, I doubt they would’ve contacted me. (laughter)<h4>High school students can also get involved in research thanks to the Otevřená věda (Open Science) student internship program run by the Czech Academy of Sciences. You took part in that too.</h4>It’s a great program for students who are interested in science but don’t know where to start. You just have to keep in mind that you might not get an internship on your first try – it’s better to apply to several research institutes at once.<blockquote>Try Open Science!Are you a high school student and want to do an internship at one of the institutes of the Czech Academy of Sciences? Try Otevřená věda (Open Science)! You can choose from topics across a range of research fields. Applications open every year in November. The well-established program has been running for twenty years, and some of its earliest interns are now full-fledged scientists and even Open Science mentors. Learn more (in Czech) here: https://www.otevrenaveda.cz/cs/staze-pro-studenty/</blockquote><h4>You ended up doing an internship at the Institute of Physics of the CAS. But the topic you’re working on there seems quite distant from plasma and respirator sterilization, right?</h4>It is different, but I’m really excited about it, and the work is incredibly fulfilling. We’re exploring the use of artificial intelligence in physics and designing neural networks that function similarly to the human brain. We’re developing a program that will be capable of detecting ECG anomalies in real time and diagnosing heart disorders. (Note: The Open Science internships always run from January to December, so Tomáš’s internship ended at the close of 2024. The team really did manage to develop a program capable of diagnosing cardiac anomalies.)<h4>Would you be interested in a future at the Czech Academy of Sciences, or are you more drawn to studying and doing research abroad?</h4>I think we’re incredibly lucky to have an institution like the Czech Academy of Sciences here in the Czech Republic. It has a strong tradition, great results, and brings together amazing minds. I see a lot of potential in it for connecting research with industry, and I’d be very interested in working there. Right now, though, I’m applying to universities abroad – including Cambridge, MIT, Harvard – so we’ll see what happens. (Note: Tomáš has been accepted to Imperial College London.)<h4>Given your earlier health issues which meant you couldn’t attend classes at school, how did you actually end up learning English?</h4>At first, my English wasn’t that great, but I read books in English and watched YouTube in English. Things really took off when I started watching videos in the original English with English subtitles – after that, I picked up the language super fast.<h4>Is there a school subject that just doesn’t click with you, or one you struggle with? What about history, for example?</h4>Honestly, I enjoy pretty much everything in some way. Even history. I try to see high school as a great opportunity to get a taste of every field. It’s true I had a bit of trouble with music class, but even there you can find something valuable – like the historical context.<h4>Okay, but is there anything you really can’t stand?</h4>Sports! (laughter) I consider myself a total sports anti-talent. I just don’t find playing sports relaxing – so I found a different way to unwind and clear my mind. Last year, when everything got a bit too much, I started to make friendship bracelets, then learned to crochet, make bobbin lace, and embroider. I even crocheted a research mascot – a giant E. coli bacterium. I find crafting incredibly relaxing. I can just sit there crocheting and it calms me right down. (smiling)<blockquote>Tomáš ČermákHe studies remotely at the Biskupské gymnázium (high school) in Hradec Králové. In his free time, he constructed a device capable of inactivating microorganisms and purifying water pollutants using cold plasma. He worked on its construction in the lab of the Institute of Plasma Physics of the CAS and received The Learned Society of the Czech Republic Award for Research (for secondary school students) in May 2024. In 2024, he completed an internship with the Open Science program at the Institute of Physics of the CAS, where he contributed to the development of a neural network that can diagnose heart disorders from ECG data in real time. He won first place in the 2023 Energy Olympics with a project on using green algae to capture CO2 and convert it into electricity and received the Duke of Edinburgh’s International Award for a scientific expedition to the Žďárské vrchy (Žďár Hills) Protected Landscape Area, where he measured soil radiation with a gamma spectrometer he built himself. In 2024, he stood out in the Czech High Schooler of the Year competition with his project Výpisky.com and was named TECH Talent of the Year. In early April 2025, he was honored by the National Institute for Autism (NAUTIS) for helping improve public understanding of autism. He co-founded the STEM_HUB association, which now connects over 250 students with an interest in STEM (Science, Technology, Engineering, and Mathematics). In April 2025, Tomáš Čermák and Anna Podmanická were named the European winners of The Earth Prize for their water purification project. They became the first-ever recipients of this award from the Czech Republic and Slovakia, earning a grant of 12,000 EUR to advance their project. From 13 April 2025, the public will be able to vote and determine the global Earth Prize winner out of the regional finalists.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/AVCR_Tomas_Cermak_278691ddcf.jpg" alt="AVČR: Tomáš Čermák" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_AVCR_Tomas_Cermak_278691ddcf.jpg 235w," sizes="100vw" width="460" height="306"></blockquote>

Teen scientist breaks barriers: No child is a lost cause

In the week from April 14, the following webinars await you in the field of atomic and molecular spectroscopy and spectrometry<blockquote><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinars">👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</a>👉 Search and filter in the largest global database with over 4 500 GC, LC, MS and spectroscopy webinars.</blockquote><h5>1. Bruker: Conserving knowledge: Non-invasive manuscript analysis by means of micro-XRF and hyperspectral imaging</h5><ul><li>Tuesday, April 15, 2025, 10:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5014">Registration</a></li></ul>This webinar explores ink analysis using spatially resolved micro-XRF and recent advances in co-registering NIR transmission to determine ink composition.<h5>2. Anton Paar: Soft Materials</h5><ul><li>Tuesday, April 15, 2025, 19:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4455">Registration</a></li></ul>This module delves into the unique challenges of testing soft materials and explores how instrumented characterization techniques provide deeper insights into their mechanical behavior.<h5>3. SelectScience: Quantitative measurement solutions for flow cytometry</h5><ul><li>Wednesday, April 16, 2025, 17:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4870">Registration</a></li></ul>In this webinar, Dr. Virginia Litwin (Eurofins) will review the fundamental principles and current best practices for instrument qualification and calibration, assay optimization, and method validation.

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The Czech Academy of Sciences (CAS) was established by Act No. 283/1992 Coll. as the Czech successor of the former Czechoslovak Academy of Sciences. It is set up as a complex of 54 public research institutions.

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Teen scientist breaks barriers: No child is a lost cause

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