<h3>Lunch &amp; learn tips &amp; tricks series 2026 – part 1</h3>In modern analytical laboratories, efficiency, consistency, and data confidence are essential. Whether you are operating an ICP-OES or ICP-MS system, the way you use your software can significantly influence productivity and analytical performance. In the first session of our Lunch &amp; Learn Tips &amp; Tricks Series, we focused on one of the most common themes raised by users: how to navigate <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1489">Qtegra </a>software more effectively and optimize everyday workflows.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Mastering_Qtegra_Software_Practical_Strategies_to_Improve_Your_Daily_Lab_Workflow_3d35454782.jpg" alt="Thermo Fisher Scientific: Mastering Qtegra Software: Practical Strategies to Improve Your Daily Lab Workflow" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Mastering_Qtegra_Software_Practical_Strategies_to_Improve_Your_Daily_Lab_Workflow_3d35454782.jpg 245w," sizes="100vw" width="1024" height="512">This session explored three key areas in detail: understanding the structure of Qtegra and the Configurator, using the Dashboard as your operational control center, and building smarter, more efficient LabBooks. Below is a structured recap of the key insights shared during Part 1.<h3>Understanding the structure of Qtegra</h3>One of the most valuable features of Qtegra software is its consistency across multiple instrument platforms. Whether you are working with the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products?category=227&amp;instrumentationItems=84&amp;manufacturerItems=3&amp;search=icap+pro">iCAP PRO ICP-OES</a>, the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products?category=232&amp;instrumentationItems=83&amp;manufacturerItems=3">iCAP MX ICP-MS</a>, the iCAP 7000 OES, or Qnova ICP-MS systems, the interface and workflow logic remain familiar. This consistency reduces the learning curve when transitioning between instruments and supports standardised training across laboratories.Qtegra consists of two primary components: the Qtegra application itself and the Configurator.<ul><li>The Qtegra application is where you directly interact with your instrument. It is used to create LabBooks, control the instrument, execute analyses, and review results.</li><li>The Configurator, in contrast, defines how your system behaves at a deeper level. It controls system-level settings that underpin daily operation. Within the Configurator, users can manage features such as Fast Uptake setup, drain sensor configuration, wavelength libraries for ICP-OES systems, the Reaction Database for ICP-MS systems, and user access permissions.</li></ul>Understanding the distinction between these two components helps users troubleshoot more effectively and ensures that system configuration aligns with laboratory requirements.<h3>Using the dashboard as your central hub</h3>When Qtegra is opened, the first screen presented is the Dashboard. The Dashboard functions as the central hub for instrument monitoring and control. From this location, users can view instrument status, monitor live operating parameters, access tuning tools, review performance checks, and identify error or interlock notifications.<ul><li>For ICP-OES users, the Dashboard provides access to tune sets, source settings, AutoPeak alignment, autotuning functions, and live views such as Plasma TV. These tools allow users to confirm that the plasma and optical system are performing as expected before analysis begins.</li><li>For ICP-MS users, the Instrument tab within the Dashboard provides access to autotune routines, performance report summaries, gas flow settings, nebuliser adjustments, operating mode selection such as Standard, KED, or CCT modes, IntelliLens control, and real-time data streams.</li></ul>The Dashboard should be used as a structured checkpoint before running any analysis. Confirming that all parameters are within acceptable ranges reduces the likelihood of interruptions and supports consistent performance throughout the run.<h3>The get ready workflow: structured instrument preparation</h3><ul><li>The Get Ready function, which is launched directly from the Dashboard, provides a guided preparation workflow. This feature is designed to ensure that the instrument is fully configured and operating correctly for the selected method before analysis begins.</li><li>Within Get Ready, users can access scheduling tools that automate warmups, standby routines, shutdowns, and maintenance checks. These tools are particularly beneficial for laboratories operating multiple shifts or managing variable workloads.</li></ul>For ICP-MS systems, the Get Ready workflow includes automated performance checks, autotune routines, and controlled warm-up conditions. These routines verify that the instrument is operating within its expected performance range.By following the structured steps within Get Ready, laboratories can reduce the risk of missed preparation tasks and maintain day-to-day analytical consistency.<h3>Building smarter LabBooks</h3>The LabBook forms the foundation of every analytical sequence in Qtegra. A carefully constructed LabBook improves efficiency, reduces setup errors, and simplifies data review.Users can create a LabBook from scratch or begin with a template. Templates are particularly useful for laboratories that integrate with LIMS systems or import sample lists via CSV files, as they promote standardisation and consistency.<h4>Defining analytes</h4><ul><li>For ICP-OES methods, users must select appropriate wavelengths and evaluate potential spectral interferences.&nbsp;</li><li>For ICP-MS methods, users select the required masses, consider isobaric and polyatomic interferences, and use the Reaction Database to support reaction mode selection.</li></ul>Careful analyte selection at this stage helps prevent complications later in the analytical workflow.<h4>Configuring acquisition parameters</h4>Acquisition parameters define how the instrument collects data.<ul><li>For ICP-OES systems, this includes selecting viewing modes, choosing wavelength ranges such as iFR or eUV, and defining integration times.</li><li>For ICP-MS systems, this includes selecting operating modes such as Standard, KED, or CCT, configuring Reaction Finder options, enabling Intelligent Matrix Handling, and defining digital trigger settings.</li></ul>Thoughtful parameter configuration ensures that data quality objectives are met without unnecessary reanalysis.<h4>Using intelligent uptake and rinse</h4>The Intelligent Uptake and Rinse feature detects when the sample or rinse solution reaches the nebuliser. This ensures consistent timing across samples and improves overall throughput. In high-throughput environments, this feature contributes to both efficiency and reproducibility.<h4>Calibration and quantification strategy</h4>Calibration design is central to reliable quantification. Qtegra allows users to manage global standards, configure dilution tools, select calibration fit types, assign internal standards, and establish quality control samples.For ICP-OES systems, users can define standard ranges and switch points. For SemiQuant workflows, Relative Sensitivity Factors can be applied.Establishing these parameters during LabBook creation ensures that data validation is straightforward once analysis is complete.<h4>Autosampler and sample list setup</h4>For laboratories using the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1715">iSC-65 autosampler</a>, features such as StepAhead, custom rack definitions, colour-coded sample views, and visual integrity checks support efficient sequence management.When constructing the sample list, users should clearly define sample types, establish a logical sequence order, and configure column layouts appropriately. Setting flags and limits during initial setup simplifies the data review process and supports quality assurance.<h3>Why workflow optimisation matters</h3>Optimising Qtegra usage does not require learning new software features. Instead, it involves using existing tools more strategically. By treating the Dashboard as a pre-run checkpoint, using Get Ready consistently, and constructing LabBooks with long-term efficiency in mind, laboratories can reduce downtime, improve reproducibility, and strengthen confidence in analytical results.<h3>Looking ahead to part 2</h3><blockquote>In Part 2 of the Qtegra Tips &amp; Tricks series, we will focus on post-analysis best practices. Topics will include interpreting signal intensities, reviewing calibration performance, evaluating recoveries and readbacks, applying flags effectively, exporting data, and implementing practical workflow improvements discussed in Part 1.</blockquote>By building a structured approach to both preparation and data review, laboratories can transform routine analysis into a streamlined, reliable, and repeatable process.We look forward to continuing the discussion in Part 2.<h5>Acknowledgement</h5>I would like to thank Matthew Gregory Field Applications Scientist, North EMEA, Trace Elemental Analysis and David Fishwick Field Applications Scientist, North EMEA, Trace Elemental Analysis for the support on this blog and the webinars<h4>Sign up for our webinars live and on demand.</h4>English<ul><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5795">Lunch and Learn Tips and Tricks Series: Qtegra Part 1</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5976">Lunch and Learn Tips and Tricks Series: Qtegra Part 2</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5977">Lunch and Learn Tips and Tricks Series: Trace Elemental Analysis (ICP-OES &amp; ICP-MS)</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5978">Trace Elemental Analysis: Ask the Expert</a></li></ul>Deutsch<ul><li>19. März 2026 <a target="_blank" rel="noopener noreferrer" href="https://event.on24.com/wcc/r/5179134/393E071E3B501943730958BA6203F477">Interne Standards in der ICP-OES: Ein Praxisguide für zuverlässige Qualitätssicherung im Labor</a></li><li>18. Juni 2026 <a target="_blank" rel="noopener noreferrer" href="https://event.on24.com/wcc/r/5179292/AE4C576B6A54D1AC182F7F77573D380F">Fehler reduzieren, Durchsatz steigern: Autoverdünnung mit PrepFast am ICP-MS</a></li><li>17. September 2026 <a target="_blank" rel="noopener noreferrer" href="https://event.on24.com/wcc/r/5179423/B5019C560431BADCA2A76E54E4EFE56F">ICP-OES smarter nutzen: Probendurchsatz erhöhen, Ressourcen sparen</a></li><li>17. Dezember 2026 <a target="_blank" rel="noopener noreferrer" href="https://event.on24.com/wcc/r/5179530/94EEDD1F56138F5EEE2AF24E29E6C12A">Qtegra ISDS Software Unlocked – Live im Expertengespräch</a></li></ul>Visit us on&nbsp;<a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/72003132/admin/dashboard/">LinkedIn:</a>&nbsp;#Qtegra, #ICPMS, #ICPOES, #TraceElementalAnalysis<blockquote><h5>Petra Gerhards</h5>Petra Gerhards, Dipl-Ing, is Regional Marketing Manager of GC and GC-MS for EMEA at Thermo Fisher Scientific. She has more than 29 years of experience in the fields of GC-MS, SPE and LC-MS. Since joining the regional team she has contributed to workflow solutions combining vials and closures with SPE solutions, GC-MS and LC-MS. She works with KOL's on data for regional specific marketing campaigns, organizes in-house seminars and works on customer specific solutions. Her main expertise is in the field of doping and drugs-of-abuse analysis.</blockquote>

Mastering Qtegra Software: Practical Strategies to Improve Your Daily Lab Workflow

<h4>1 - What is fitness for purpose?&nbsp;</h4>The test meets the necessary performance criteria for a clinical binary examination to ensure it is suitable for making accurate and reliable clinical decisions in the intended patient population. Among others, performance criteria include clinical sensitivity and clinical specificity.&nbsp;<h4>2 - How to assess clinical performance?&nbsp;</h4>Assessing the clinical performance of a binary examination, stating results as 'positive' or 'negative,' involves calculating the examination's Clinical Sensitivity and Clinical Specificity. From the physician's point of view, clinical performance is evaluated by using predictive values, i.e., how likely is it that a positive or negative result corresponds to the presence or absence of the condition, which is also influenced by the prevalence of the condition in the population being tested.&nbsp;<h4>3 - What is Clinical Sensitivity?&nbsp;</h4>Clinical sensitivity (SS), also known as the True Positive Rate, measures the proportion of true positives correctly identified by the test. Data from a group of subjects who have been confirmed to have the disease or condition through diagnosis or a gold standard test (D1 in Table 1) are needed to calculate clinical sensitivity.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Eurachem_Table_1_2x2_Contingency_table_for_clinical_diagnosis_241735a171.jpg" alt="Eurachem: Table 1. 2x2 Contingency table for clinical diagnosis." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Eurachem_Table_1_2x2_Contingency_table_for_clinical_diagnosis_241735a171.jpg 245w," sizes="100vw" width="1401" height="461">The formula for clinical sensitivity is:&nbsp;SS = tp / (tp + fn), with:&nbsp;<ul><li>tp, True Positives are the cases where the test correctly identifies the presence of the disease.&nbsp;</li><li>fn, False Negatives are the cases where the test incorrectly identifies the absence of the disease when it is actually present.&nbsp;</li></ul>Table 1 represents the components of clinical sensitivity and specificity. Figure 1 illustrates an example of the overlapping of the number of components. The symbol "∩" represents the intersection of groups. For example, D1∩n denotes the set of negative results obtained for known positive cases, i.e., false negatives.<h4>4 - What is Clinical Specificity?&nbsp;</h4>Clinical Specificity (SP), also known as the True Negative Rate, measures the proportion of true negatives correctly identified by the test. Data from a group of subjects who have been confirmed not to have the disease or condition through a gold standard test (D0 in Table 1) are needed to calculate clinical specificity.The formula for clinical specificity is:&nbsp;SP = tn / (tn + fp), where:&nbsp;<ul><li>tn, True Negatives are the cases where the test correctly identifies the absence of the disease.&nbsp;</li><li>fp, False Positives are the cases where the test incorrectly identifies the presence of the disease when it is actually absent.&nbsp;</li></ul><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Eurachem_Figure_1_Graphical_representation_of_an_example_of_85ab82a16b.jpg" alt="Eurachem: Figure 1. Graphical representation of an example of tp (D1∩p), tn (D0∩n), fn (D1∩n), and fp (D0∩p). " srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Eurachem_Figure_1_Graphical_representation_of_an_example_of_85ab82a16b.jpg 245w," sizes="100vw" width="1300" height="736"><h4>5 - How to calculate the uncertainty of clinical sensitivity and specificity?</h4>Calculating clinical sensitivity and specificity uncertainty involves statistical methods that estimate each parameter's confidence interval (CI). These intervals provide a range of values within which the true sensitivity or specificity is expected to lie with a certain level of confidence, typically 95 %. Please refer to the AQA:2021 for information about statistical models to compute the 95 % CI [1].<h4>6 - How to define targets?&nbsp;</h4>Target minimum values for clinical sensitivity and specificity should be identified. These values may originate from regulations or criteria based on the intended use of the binary results. A target or minimum value for the lower limit of the 95 % CI for result rate, i.e., SS or SP, (LLSS.95 or LLSP.95) or the upper limit of the 95 % CI for result rate (HLSS.95 or HLSS.95) should also be defined according to the purpose of the analysis. The target or minimum value (LLSStg or LLSPtg) is particularly significant when the impact of false results is critical. For example, for blood components used in transfusions, the screening for infectious diseases should be performed with tests associated with an LLSS.95 close to 100 %.&nbsp;Figure 2 illustrates five different tests, each assessed for clinical sensitivity and its associated uncertainty. These cases reflect different levels of compliance with a target sensitivity of 0.5. Case 1 is non-compliant, Cases 2 to 4 are partially compliant, and Case 5 is compliant. From a simplified statistical power view, the laboratory should always take into account the minimum number of samples when defining its target. This number can be estimated by simulation. For example, for a clinical sensitivity of 90 % the evaluation will require a minimum of 10 samples. It should be emphasized that samples must be representative of the target population for a clinical power evaluation - for example, epidemiologically representative samples of the types and subtypes of a given virological agent are required.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Eurachem_Figure_2_Compliance_assessment_with_clinical_sensitivity_a21ece043c.jpg" alt="Eurachem: Figure 2. Compliance assessment with clinical sensitivity uncertainty using the lower 95% confidence interval limit for five performance assessment scenarios. " srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Eurachem_Figure_2_Compliance_assessment_with_clinical_sensitivity_a21ece043c.jpg 245w," sizes="100vw" width="1500" height="648">

Performance Assessment of Binary Output Examinations in Medical Laboratories

Our Library never stops expanding. What are the most recent contributions to LabRulezICPMS Library in the week of 30th March 2026? 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 Metrohm, Shimadzu, Thermo Fisher Scientific and Waters Corporation!<h3>1. Metrohm: Quantification of methanol in contaminated spirits</h3>Protecting consumers from contaminated beverages<ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_rs_056_download_3b37cb883a.pdf">Full PDF for download</a></li></ul>An alarming global trend highlights the serious harm that can result from ingesting illegal, improperly distilled alcohol. Home-distilled spirits prepared using industrial solvents (i.e., wood alcohol) and presented as legitimate alcoholic beverages often contain methanol. Methanol causes blindness and can lead to death when ingested. This has led to fatal consequences around the world [1–3].&nbsp;The breaking point for the Czech Republic came in September 2012. The sale of hard liquor was temporarily banned after 20 people died from the consumption of spirits with dangerous levels of methanol [2]. After an exhaustive study using various screening tools, the Czech Republic adopted Raman spectroscopy as the method of choice for identifying and quantifying methanol in contaminated spirits. This Application Note demonstrates how Raman spectroscopy can be employed as an efficient and rapid screening method for samples of rum contaminated with methanol.<h4>EXPERIMENT&nbsp;</h4>This example study measures commercially available coconut rum that is spiked with methanol in concentrations between 0.33% and 5.36%. The <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=220&amp;search=iRaman">iRaman NxG 785H</a> with a fiber-optic probe is used to collect Raman spectra of the mixtures (Figure 3). Table 1 lists the relevant equipment and instrument settings used for this application study. The peak at around 1000 cm-1 (highlighted by the inlay of Figure 3) visibly increases with increasing concentration of methanol, becoming significant at approximately 1%.<h4>CONCLUSION</h4>These results validate that Raman spectroscopy can be used for rapid, quantitative screening of dangerous adulterants in alcoholic beverages. This technique can be expanded to investigate adulteration in other media such as food, petroleum, and pharmaceutical drugs [4].<h3>2. Shimadzu: Evaluation of Organic Impurities in Lithium Carbonate by TOC Analysis</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_01098_en_ec9b3e73fc.pdf">Full PDF for download</a></li></ul><h4>User Benefits</h4><ul><li>TOC analysis enables effective control of organic impurities in lithium carbonate.</li><li>Using the combustion tube kit for high-salt samples can extend the lifespan of the combustion tube and catalyst, reducing maintenance frequency.</li><li>With the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=1&amp;search=ASI-L+autosampler">ASI-L autosampler</a>, multiple samples can be measured automatically, improving throughput and efficiency</li></ul>Lithium carbonate (Li2CO3) is an important material used in a wide range of applications in the lithium-ion battery industry. For example, it is used as a lithium source for cathode active material synthesis and electrolyte salt production, as a raw material for oxide-based solid electrolytes, and as a form of lithium commonly recovered in recycling processes.&nbsp;Because impurities in lithium carbonate can affect downstream processes and final products, appropriate control is essential. In particular, organic impurities require especially careful attention because they may originate from so many sources, such as solvents and processing aids used during purification, residual organics from manufacturing steps, or contamination introduced during handling and storage.&nbsp;Total organic carbon (TOC) analysis offers an effective way to manage such organic impurities in raw materials. This article presents an example of using a <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=1&amp;search=TOC-L">Shimadzu TOC-L</a> total organic carbon analyzer (Fig. 1) to evaluate the TOC content of lithium carbonate.<h4>TOC Analysis&nbsp;</h4><h5>TOC Analysis Methods&nbsp;</h5>Two commonly used methods are available for TOC analysis:&nbsp;(1) TC - IC method: Total carbon (TC) and inorganic carbon (IC) are measured separately, and then TOC is calculated as the difference (TOC = TC – IC).(2) NPOC method: TOC is measured as non-purgeable organic carbon (NPOC). After acidifying the sample to pH &lt; 3, IC is subsequently removed by sparging and the remaining carbon is measured as TC, which is regarded as TOC. The acidification and sparging steps are performed automatically by the instrument.&nbsp;For lithium carbonate solutions, the amount of carbonatederived IC is typically very high. As a result, the TC–IC method tends to yield calculated TOC values with a larger relative error. Therefore, the NPOC method isrecommended.&nbsp;In lithium carbonate solutions prepared as described above, IC is expected to be present mainly as bicarbonate (HCO3 –) and carbonic acid (H2CO3). If IC is not fully removed during NPOC pretreatment, the TOC result may be overestimated. Therefore, thorough IC removal is critical for samples with high IC content. For actual samples, sparging parameters, such as sparge gas flow rate and sparge time settings, can be adjusted.&nbsp;<h5>Combustion Tube for High-Salt Samples&nbsp;</h5>The prepared lithium carbonate solution contains a large amount of salts. When a large number of salt-containing samples are analyzed, salts may accumulate inside the combustion tube, which can lead to catalyst clogging, reduced sensitivity, and poorer repeatability.For this analysis, the optional combustion tube for high-salt samples was used, shown in Fig. 2. The high-salt combustion tube has a larger diameter than the standard combustion tube and contains larger catalyst particles to help mitigate saltrelated clogging. Thus, the frequency of combustion tube replacement can be significantly reduced.<h4>Conclusion&nbsp;</h4>In this article, TOC analysis was performed for a 10 g/L lithium carbonate solution using a Shimadzu TOC-L total organic carbon analyzer. By measuring TOC in the prepared solution, the TOC content in the lithium carbonate solid was calculated. The results showed good recovery rates in the spike-recovery test and consistent performance was also confirmed during long-term continuous analysis. These findings demonstrate that the TOC-L is a reliable solution for measuring TOC in lithium carbonate and for effective management of organic impurities.&nbsp;When applying the NPOC method to lithium salt-containing solutions, careful selection of the acid is essential because salts formed during acidification can affect both data quality and instrument condition. For this example, sulfuric acid is recommended.In addition, using the optional combustion tube kit for high-salt samples can extend the lifespan of the combustion tube and catalyst, thereby reducing maintenance frequency. This option is especially helpful for samples with high salt concentrations.&nbsp;In addition to lithium carbonate, the TOC-L can also be applied to TOC analysis of lithium hydroxide solutions, determination of water-extractable TOC in recycled black mass, and analytical needs in lithium refining processes based on direct lithium extraction (DLE). With its broad applicability across various upstream materials, recycling streams, and refining processes, the TOC-L supports both quality control and process optimization operations throughout the lithium-ion battery value chain.<h3>3. Thermo Fisher Scientific: Evaluating Silicon using Raman Microscopy</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/vib_silicon_analysis_with_raman_microscope_app_note_mcs_an1232_en_11_2024_1887815_web_50639c9148.pdf">Full PDF for download</a></li></ul>Raman spectroscopy is a form of vibrational spectroscopy that probes chemical bonds and molecular structure and is sensitive to small changes in chemical and structural environments. The Raman spectrum of a material is a molecular “fingerprint” that can be used for identification of unknown materials and for characterizing and qualifying expected materials. Since intermolecular effects and lattice vibrations are also detected, it can be used to evaluate crystallinity. Mechanical phenomena such as strain can also be detected from peak shifts in Raman spectra. Raman imaging allows visualization of the distribution of components or changes in physical state across the sample.<h4>Silicon in aluminum&nbsp;</h4>Silicon is used in alloys with aluminum to increase the strength of lightweight aluminum-based parts. Addition of silicon to aluminum also alters the viscosity of melted aluminum, improving the castability. These alloys typically contain 3% to 25% silicon. While silicon and aluminum can form a eutectic mixture, it is common to have finely dispersed silicon particles throughout the material.¹ The size and distribution of silicon particles can affect the strength of the aluminum.&nbsp;One common example of an aluminum product, aluminum foil, is made up of almost pure aluminum (approximately 98.5%) but it does contain small amounts of silicon and iron.² Raman imaging of a piece of aluminum foil reveals small particles of silicon (Figure 1). A <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/2237">Thermo Scientific™ DXR3xi Raman Imaging Microscope </a>was used with a 532 nm laser and a 100X&nbsp;metallurgical objective to collect the Raman imaging data. An area of 408 μm x 208 μm was imaged using an image pixel size of 1 μm. The Raman image, based on the 520 cm-1 peak of silicon, shows the spatial distribution of the particles and image analysis provides size and shape information. In this case, 81&nbsp;silicon particles were identified with a size (area) range of 6-151 μm². This analytical approach may be extrapolated to other types of Si/Al alloy parts.<h4>Conclusion&nbsp;</h4>The importance of silicon as a technologically significant material cannot be overstated. It has properties that make it useful in numerous different types of products. Raman micro-spectroscopy has proven itself an important tool for the assessment of molecular structure and physical states of silicon. Raman images provide a way to observe the spatial distribution of silicon and silicon-containing components, structural variations such as crystallinity, and physical effects such as strain. This note showed a few representative examples to illustrate some of the advantages offered by Raman microscopic analysis of silicon. The coverage is not intended to be comprehensive as there are numerous other areas where the Raman analysis of silicon is currently employed and other opportunities where it could be used. The Thermo Scientific DXR3 Raman Microscope and the Thermo Scientific DXR3xi Raman Imaging Microscope have both been shown to be excellent choices for the Raman analysis of silicon samples.<h3>4. Waters Corporation: High-Throughput Detection of Degraded Polysorbate in Biological Formulations with FMM</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720009114_en_99c7483d1a.pdf">Full PDF for download</a></li></ul>The FDA requires that all biologic formulations be free of visible particles and has defined allowable levels of subvisible particles (SVPs) larger than 10 µm to ensure the potency, efficiency, and safety of these drug.1 While most protein drug particle analysis focuses on particles formed due to formulation instability, SVPs formed through the degradation of formulation excipients must also be considered.&nbsp;Polysorbates 20 (PS20) and 80 (PS80), best known as Tween-20 and -80, are excipients used in &gt;70% of marketed parenteral biological drugs to improve product stability and shelf life.2 However, when these formulations are stored for long periods of time (&gt;6 months) at low temperatures (4 °C), visible and subvisible particles are formed due to the enzymatic hydrolysis of the polysorbates by host cell proteins (HCPs) such as esterases and lipases.3,4 PS20 in particular has been found to be extremely prone to degrading into fatty acid particles.5 Lauric, myristic and palmitic acids are the most common fatty acid degradation products, and there is a direct correlation between low fatty acid solubility and particle formation in common formulation buffers.3–7 However, high-throughput, sensitive, and specific analysis of polysorbate particles has been difficult due to their complex chemistry and their low concentrations (&lt;&lt;0.5%) in high protein concentration (&gt;100–200 mg/mL) formulation environments, making it a perennial needle in a haystack problem.In this application note, we introduce the Aura™ polysorbate degradation assay, a specific and quantitative assay that detects free fatty acid particles (FFAs) formed during polysorbate degradation on Aura PTx System. The assay analyzes 96 samples using anywhere from 5 µL–10 mL of sample in a few hours. <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/2190">Aura™ Systems</a> use backgrounded membrane imaging (BMI) and fluorescence membrane microscopy (FMM) to count, size and ID particles from 1 µm to 5 mm. Fluorescent labels utilized by FMM are selected based on thier ability to interact with particles of a certain nature, allowing for the generation of key information related to identity of the particles.<h4>Results and Discussion&nbsp;</h4><h5>Morphological Appearance of Different Fatty Acid Particles&nbsp;</h5>Aura systems image every particle, enables subvisible particle size distributions analysis, and makes morphological differentiation possible using built-in image analysis filters. When we analyze different free fatty acid solutions with Aura PTx System, we find that each forms particles with different morphological characteristics. Lauric acid particles are large and irregular clusters, myristic acid particles are small and oval shaped, and palmitic acid particles form fibril-like particles and small circular clusters (Figure 2a-c). These unique morphological characteristics suggest the presence of free fatty acid particles that can then be confirmed with FMM using labeled fluorescence.<h4>Conclusion&nbsp;</h4>Aura PTx System and <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/2190">Aura+ System</a> can easily detect the major degradation components of PS20 in proteincontaining samples at any stage of the drug manufacturing process. The method only requires 5 µL of sample, is specific and sensitive, and can analyze 96 samples in just a few hours, far outperforming other techniques. Aura PTx System and Aura+ System can also identify and differentiate the key degraded particulates from polysorbate formulation by their distinguishable shape, appearance, and specific labeling with BODIPY FL C16. The Aura polysorbate assay can detect FFAs at concentrations relative to lauric acid above 9.38 µM (&gt;2183 counts/mL) and quantitate above 18.75 µM (&gt;2976 counts/mL).

News from LabRulezICPMS Library - Week 14, 2026

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Characterization of geological materials, including elemental composition, chemical speciation, and phase determination, is of primary importance for assessing their natural resources as well as their exploration, beneficiation, and extraction processes for industrial needs.
X-ray techniques, including X-ray fluorescence (XRF) and X-ray diffraction (XRD), have long been essential tools in geological research. Due to the relatively quick and simple sample preparation, XRF has become the technique of choice for the analysis of rocks and minerals. New generations of XRF analyzers also permit analysis of small spots down to 0.5 mm as well as mapping of a selected area of a sample. These new possibilities open up the XRF technique to heterogeneous samples where segregations, defects, or inclusions can now be determined. Coupling these capabilities with standard-less analysis allows quantification of up to 79 elements of the periodic table on selected points or areas of the sample. On the other hand, XRD measurements of crystalline materials in combination with Rietveld refinement is widely recognized as the most powerful method for quantitative crystalline-phase analysis.
Deriving chemical and structural information from the fundamental vibrations of molecular bonds, Fourier transform infrared spectroscopy (FTIR) and Raman spectroscopy also find many applications in geosciences research, including identification of minerals and their polymorphic forms, differentiation from other organic and inorganic materials, qualitative and quantitative determination of structural incorporated molecules and defects, characterization of thermal maturity, etc.
In this presentation, several real-world geological applications using X-ray and vibrational spectroscopic techniques will be presented. The complementarity of different analytical techniques will also be discussed.
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Presenter: Christopher Shaffer (Business Development Manager, Thermo Fisher Scientific)
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Chris is the Business Development Manager for the Thermo Fisher Scientific Bulk Element Analysis (BEA) Division (x-ray diffraction, x-ray fluorescence and optical emission spectroscopy). He has been with the BEA business since 2007. After graduating from college, Chris started his career at the Ferro Corporation managing an analytical laboratory, where he first learned the techniques of x-ray diffraction (XRD) and x-ray fluorescence (XRF). Chris left Ferro to join Thermo Fisher Scientific as an XRF applications specialist for North America. In 2011, he moved to Switzerland to become the product manager for the newly launched Thermo Scientific™ ARL™ Perform’X XRF. In 2013, Chris moved back to North America as Latin American business manager for the BEA group and in 2017, he moved to his current position.
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Presenter: Rui Chen (Applications Manager, Spectroscopy, Thermo Fisher Scientific)
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Dr. Rui Chen obtained his Ph.D. in analytical chemistry from the University of Alberta, Canada, followed by an Alberta Ingenuity Postdoctoral fellowship. Rui has extensive experience in a wide range of analytical techniques including chromatography, mass spectrometry, and vibrational spectroscopy. Currently, he is the senior manager of the applications team at Thermo Fisher Scientific supporting vibrational spectroscopy, optical emission spectroscopy, x-ray fluorescence, x-ray diffraction, extrusion, and rheology product lines.
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Thermo Scientific: Geological Applications Using XRF, XRD and Vibrational Spectroscopy

Geological Applications Using XRF, XRD and Vibrational Spectroscopy

Several real-world geological applications using X-ray and vibrational spectroscopic techniques.

Geological Applications Using XRF, XRD

In this 4-part session you will gain insights and understanding of what you can do in the battery industry with varied technologies. From investigating solutes and electrodes, following battery cell behavior, and in situ research on energy storage materials the Bruker Scientists are sharing a wealth of knowledge for your research.Session 1: 11:00 a.m.<h5>Powering the Future: Analytical Methods in Battery Research</h5>Chemical understanding of batteries is essential for enhancing their performance, longevity, and safety. This session will highlight the role that analytical techniques play in battery research and development. By offering deep insights into the chemical, structural, and electrochemical properties of energy storage materials, these methods enable researchers to drive innovation and solve complex challenges. We'll provide an overview of key analytical approaches, including spectroscopy, solid-state NMR, and X-ray diffraction, and discuss their applications in advancing battery technology.Session 2: 11:25 a.m.<h5>Spectroelectrochemical Setup for Probing Reactions on Electrodes and in Electrolytes</h5>Electrochemistry combined with vibrational spectroscopy provides powerful insights into electrochemical reactions and battery research through unique infrared and Raman signatures. The session will cover accessories, setup optimization, and applications like electro-oxidation of metal-organic complexes and lithium battery interface mapping.Session 3: 11:50 a.m.<h5>Advancements and Challenges of Solid-State NMR Technology for Battery Research</h5>Solid-State Nuclear magnetic resonance (NMR) is a characterization technique applied to investigate the structural changes of/in battery materials. Advanced NMR approaches can be used to track and examine ion-exchange/diffusion across interfaces, electrolyte decomposition, dendrite formation, storage behavior of an electrode etc. during or following charging/discharging in order to understand electrochemical processes and improve battery properties.Session 4: 12:15 p.m.<h5>Charge and Structure: Understanding Batteries Through X-Ray Diffraction</h5>X-ray diffraction (XRD) serves as a powerful tool for elucidating the structural properties of battery materials at the atomic scale. Modern XRD techniques can be used to understand the effects of cycling and synthesis methods on electrode stability and efficiency, ultimately guiding the development of next-generation energy storage solutions.Key Learning Objectives:<ul><li>Gain an overview of current trends in battery technology.</li><li>Understand the key components of battery chemistry and design.</li><li>Learn about future trends in battery development and energy storage.</li></ul>Who Should Attend:<ul><li>Laboratory managers</li><li>Batteries developers</li><li>Electrochemical researchers</li></ul><blockquote>Presenter: Federico Paruzzo, PhD (Academic Market Project Manager, Bruker BBIO)Presenter: Sergey Shilov, PhD (NA Product Manager, Science, Bruker Optics)Presenter: Edina Sic (Solutions Product Manager, Academic Battery Research, Bruker BioSpin Group)Presenter: Nick Rodesney (XRD Applications Scientist, Bruker)Presenter: Ann Thayer (Contributing Editor, C&amp;EN Media Group)</blockquote>

The Science of Batteries

In this 4-part session you will gain insights and understanding of what you can do in the battery industry with varied technologies.

Did you know that there are over 3,500 different grades of steel? In fact, steel is one of the world’s most innovative and essential materials.&nbsp;Carbon is a key element in steel and is added at small levels from 0.005% to 2%. The addition of carbon into stainless steels helps increase properties such as corrosion resistance, weldability, ductility, hardness and much more.&nbsp;The slightest adjustment of carbon can have consequences as simple as economic loss, or as crucial as loss of life – putting the reputation of your business on the line. Watch this educational webinar to see how carbon analysis is changing.Learning Objectives<ul><li>Confidently identify differences in grades of stainless steel</li><li>Understand how adjustments in carbon can impact the properties of steel</li><li>Gain knowledge of new technologies available to measure carbon content</li></ul><blockquote>Presenter: Jim Pasmore (President and Founder of Analytical Sales Training, Inc.)Jim Pasmore is an elemental analysis expert passionate about the advancement of scientific instrumentation. Jim has over 50 years of experience traveling worldwide to develop new and innovative products. Jim specializes in application support for handheld x-ray fluorescence (XRF), laser induced breakdown spectroscopy (LIBS), optical emission spectroscopy (OES), and raman spectroscopy.</blockquote>

Thermo Fisher Scientific: Why is Analyzing Carbon Important?

Why is Analyzing Carbon Important?

Watch this educational webinar to see how carbon analysis is changing.

As we all know, the need for efficient and sustainable energy storage solutions has never been greater. With the increasing demand for electric vehicles, and storage of renewable energy, the battery industry together with academic institutes are constantly evolving and pushing the boundaries of what is possible.Bruker is at the forefront of this innovation, providing cutting-edge technologies and solutions for battery research and manufacturing. In this webinar, we will explore the latest developments in Bruker's technology and how they can be applied to optimize battery performance, reduce costs, and accelerate the path towards a cleaner energy future.Join our 75 minutes experts discussion as they dive into the fascinating world of batteries and discover how Bruker is shaping the future of it.Key Learning Topics:<ul><li>You will learn about a complete portfolio of technologies applied to battery research and production, including AFM, NMR, EPR, MS, FTIR, XRD, XRF, XRM, RAMAN, EDS and EBSD. These technologies represent the excellence of Bruker's analytical tools and are complementary in their applications. They are used in various ways to help researchers and manufacturers understand how batteries work, how they can be improved, and how they can be produced and recycled more efficiently.</li></ul>Who Should Attend?<ul><li>Battery manufacturers</li><li>Research and development organizations</li><li>Academic institutions</li><li>Material science organizations</li><li>Electrochemical and analytical chemistry organizations</li><li>Testing laboratories involved in battery research and development.</li><li>Government agencies involved in renewable energy and sustainability.</li><li>Investors interested in the battery market.</li><li>Battery technology experts and engineers</li></ul><blockquote>Presenter: Andrea Steck Ph.D. (Principal Scientist - Bruker BioSpin (Ettlingen, Germany))Andrea Steck joined BBIO Germany in 2010 to perform contract services, then stepped into food profiling development, acted as Quality Manager (ISO-17025), and now is responsible for supporting, developing, and driving AIC-DEV projects as Principal Scientist.Andrea holds a PhD in Chemistry (TU Munich). She gained extensive experience in NMR pulse sequence development and structure elucidation (Berne, Switzerland), and in leading an analytical (NMR/MS/IR) laboratory in big pharmaceutical industry (Vienna, Austria). She then joined Bruker Austria as Manager Pursuant to Trade Law, responsible for contract services and customer acquisition.Presenter: Hugues Guérault (Application Manager – Bruker Advanced X-Ray Solutions (Karlsruhe, Germany))Hugues Guérault joined Bruker in 2002 as Application Scientist. He is now leading Bruker AXS application team and manages worldwide the activities of the application laboratories for equipment demonstrations and customer training.Hugues holds a PhD in Material Science from Le Mans University (France) and made a post-doc at the University of Leuven (Belgium). Overall, he has acquired more than 25 years of experience in material characterization using X-ray diffraction.Presenter: Peter De Wolf, PhD (Sr. Director AFM Technology Development &amp; Applications, Bruker Nano Surfaces &amp; Metrology, Santa Barbara, CA, USA)Joined Bruker after obtaining Ph.D. in Electrical Engineering from the University Leuven &amp; IMEC, Belgium in 1998 focused on the development of novel AFM characterization methods. Author and co-author of over 40 publications related to property characterization using AFM, and co-inventor of several AFM methods. In his role, Peter is responsible for developing, driving, and leveraging new technology and applications for Bruker’s AFM Instrumentation.Presenter: Ph.D. Bob Galvin, FRSC (Vice President BAMS, Bruker Daltonics, London, UK)Bob Galvin obtained his PhD using mass spectrometry to investigate novel catalytic reactions and since then has always been involved in this technology. &nbsp;He joined Bruker eleven years ago and has held a number of executive positions during this period.Presenter: Rebecca Keller (Scientific Content Creator – Bruker Scientific LLC (Billerica, MA, USA))Rebecca joined Bruker Scientific in 2022 to support scientific content creation for applied markets as well as research and academia. Thanks to her extensive experience in crafting content for chemistry e-learning platforms, she excels at presenting complex ideas with exceptional clarity and precision.Rebecca graduated in Chemistry at the University of Oregon in 2019 and has since sought to improve scientific communication by producing content across multiple platforms.Presenter: Michele Gironda (Head of Global Segment Management – Bruker Nano Analytics (Berlin, Germany))Michele Gironda joined Bruker in 2017 when Bruker acquired XGLab where he was Director Sales and Marketing. He is now our Head of Global Market Segment Management in the Nano Analytics Division. In his role Michele manages worldwide activities for the key strategic market segments in cooperation with sales, marketing, application and product managers.Michele holds a Master Degree in Engineering obtained with his studies in Politecnico di Milano (Italy) and Universitat Politecnica de la Catalunya in Barcelona (Spain).</blockquote>

Bruker: Shaping the future of batteries: Bruker technologies across the entire value chain

Shaping the future of batteries: Bruker technologies across the entire value chain

Join our 75 minutes experts discussion as they dive into the fascinating world of batteries and discover how Bruker is shaping the future of it.

Bruker technologies - Shaping future of batteries

<div><div container-id="cq-colctrl-lt0" comp-id="A1"><div>We are pleased to invite you to upcoming Webinar on "Exploring analytical methods &amp; applications in polymer science." This event is free to attend will cover key techniques such as Rheology, FTIR, NIR, Process Raman, XRF, XRD, and TGA, highlighting their roles in understanding polymer properties and optimizing processes.Join to learn how these methods can enhance material design, quality control, and performance. Gain insights into the latest advancements and applications in polymer science.<h3>Webinar Schedule</h3><h4>Day 1: Introduction to analytical methods</h4>Tuesday, September 30, 2025, | 10:00-11:15 UTC+1 &nbsp;&nbsp;<h5>Session 1: Basics of polymer rheology</h5><ul><li>Speaker: Dr. Fabian Meyer</li></ul>In this session, Dr. Fabian Meyer will introduce the fundamental concepts of polymer rheology. Rheology is the study of the flow and deformation of matter, which is crucial in understanding material properties and behaviour during processing. Dr. Meyer will cover:<ul><li>Key rheological properties and their measurement</li><li>Applications in various industries</li><li>Practical examples and case studies to illustrate the concepts</li></ul><h5>Session 2: Basics of FTIR, NIR and Raman Spectroscopy/Applications</h5><ul><li>Speaker: Mr. Shailesh Karavadra</li></ul>Mr. Shailesh Karavadra will guide you through the basics of Fourier Transform Infrared (FTIR), Near-Infrared (NIR), and Raman Spectroscopy. These techniques are essential for material characterization and identification. The session will include:<ul><li>Introduction to FTIR, NIR, and Raman Spectroscopy</li><li>How these techniques work and their differences</li><li>Applications in Polymers, plastics and recycling</li></ul><h5>Session 3: Basics of XRF and XRD Applications</h5><ul><li>Speaker: Dr. Simon Welzmiller</li></ul>Dr. Welzmiller will present an overview of X-ray Fluorescence (XRF) and X-ray Diffraction (XRD) techniques. These methods are widely used for elemental analysis and crystallographic studies. The session will cover:<ul><li>Fundamental principles of XRF and XRD</li><li>How these techniques are applied in material science and engineering</li><li>Examples of real-world applications and data interpretation</li></ul><blockquote>Presenter: Meyer, Fabian (Teamleiter Applikation Lab, Production Process and Analytics)Presenter: Karavadra, Shaileshkumar N. (Sr Manager, Sales Development/Product Specialists Chemical Analysis Division)Presenter: Welzmiller, Simon (Global Application Specialist XRD, Production Process and Analytics)</blockquote></div></div></div>

Thermo Fisher Scientific: Advanced analytical methods in polymer science webinar series

Advanced analytical methods in polymer science, Part 1

Join a free webinar on polymer science. Explore rheology, FTIR, NIR, Raman, XRF, and XRD to boost material analysis, quality, and performance.

<div><div container-id="cq-colctrl-lt0" comp-id="A1"><div>In regulated pharmaceutical manufacturing, rapid and reliable raw material identification is essential for maintaining product quality and optimizing GMP workflows. In this webinar hosted by Thermo Fisher Scientific, discover how the Thermo Scientific™ IonicX™ Portable XRF Analyzer is transforming ionic salt verification directly on the manufacturing line.Delivering lab-quality elemental analysis in under 2 minutes, IonicX provides real-time PASS/FAIL results for key salts, such as NaCl, KCl, MgCl₂, CaCl₂, and NaOH, helping reduce quarantine delays, streamline material transport, and improve at-line decision-making.When paired with the TruScan™ Handheld Raman analyzer, the complementary capabilities of IonicX extend raw material verification coverage, enabling identification of ionic salts for comprehensive raw material ID and GMP compliance.<h4>In this session you will see:</h4><ul><li>A live demo of IonicX in action</li><li>How IonicX supports 21 CFR Part 11 and cGMP compliance</li><li>Integration of IQ/OQ/PQ documentation, annual certification, and safety interlocks</li><li>How portability, speed, and accuracy improve productivity</li><li>Innovative software features that strengthen data integrity and audit trails</li><li>How IonicX and TruScan together expand coverage for raw material verification</li></ul><blockquote>Presenter: Meet Linxi ChenLinxi Chen is a Field Application Scientist at Thermo Fisher Scientific, specializing in Raman PAT applications. She holds a PhD in Environmental Engineering and has over a decade of industry experience in environmental consulting and analytical instrumentation.</blockquote></div></div></div>

Thermo Fisher Scientific: The Perfect Pair for GMP Compliance: IonicX and TruScan for Raw Material Identification and Verification

The Perfect Pair for GMP Compliance: IonicX and TruScan for Raw Material Identification and Verification

Discover how IonicX Portable XRF and TruScan Raman improve GMP raw material identification with fast, compliant, at-line elemental analysis in pharmaceutical

ICPMS webinars focusing on X-ray - page 1