<p><strong>Taťána Gazárková is currently a&nbsp;postdoctoral fellow in the Laboratory of Antibiotic Resistance and Microbial Metabolomics. During her doctoral studies, she focused on chromatography and mass spectrometry. Recently, she was awarded second place in the “Sanofi Prize for Pharmacy 2026” competition.</strong></p><p><strong>Taťána Gazárková </strong>is currently a&nbsp;postdoctoral fellow in the <strong>Laboratory of Antibiotic Resistance and Microbial Metabolomics</strong>. During her doctoral studies, she focused on chromatography and mass spectrometry. Recently, she was awarded second place in the <strong>“Sanofi Prize for Pharmacy 2026” </strong>competition, which is awarded by the<strong> French Embassy in the Czech Republic</strong> for her dissertation – Steroid Analysis Using Modern Chromatographic and Mass Spectrometry Techniques: From Fundamental Studies to Targeted Bioanalytical Applications (supervisor: <strong>Lucie Nováková, Charles University</strong>).&nbsp;</p><h5><strong>What makes this field particularly exciting or unique in your view?</strong></h5><p>What I&nbsp;enjoy about analytical chemistry is that, to a&nbsp;certain extent, it is a&nbsp;kind of detective work. You are often looking for ways to “make the invisible visible”. In other words, extract the information you are interested in from a&nbsp;complex sample and then interpret it correctly. What also appeals to me about bioanalytical chemistry is its interdisciplinary nature. It brings together analytical chemistry, biochemistry, biology and medicine, which means that you need to be able not only to translate a&nbsp;biological or clinical question into a&nbsp;measurable analytical experiment, but also to place the resulting data back into a&nbsp;broader biological context. This combination of different perspectives is probably what I&nbsp;enjoy most about the field. At the same time, there is still plenty of room for fundamental research, ranging from studying analytical techniques themselves and improving them to developing new methodological approaches.</p><h5><strong>How did you end up at the </strong><a target="_blank" rel="noopener noreferrer" href="https://mbu.cas.cz/en/research/laboratory-of-antibiotic-resistance-and-microbial-metabolomics"><strong>Laboratory of Antibiotic Resistance and Microbial Metabolomics</strong></a><strong>, and what project are you currently working on?</strong></h5><p>I came to the Institute of Microbiology through a&nbsp;joint project between<strong> Dr Zdeněk Kameník and Assoc. Prof. Jan Bobek from the First Faculty of Medicine, Charles University</strong>. For me, it was also an opportunity to move from targeted analysis and the study of chromatographic techniques towards untargeted metabolomics and new biological questions.</p><p>In the project, we are trying to identify new biologically active compounds that would be effective, particularly against pathogenic fungi. As a&nbsp;potential source of such compounds, we study streptomycetes, bacteria known for their ability to produce a&nbsp;wide range of biologically active compounds, including many antibiotics that are currently in clinical use. We focus on less-explored host-associated streptomycetes, in which we had already observed antifungal activity in previous experiments. We are especially interested in strains active against Candida albicans whose activity cannot be explained by the presence of a&nbsp;known bioactive compound. These strains may represent an interesting source of novel compounds. We then integrate the results of untargeted metabolomic analyses with genomic analyses, which allows us to obtain a&nbsp;more comprehensive view of the biosynthetic potential of selected strains.</p><h5><strong>You also took part in this year’s Vědafest, a&nbsp;science outreach event for the public. What was it like?</strong></h5><p>I already had some experience with science outreach through events such as Researchers’ Night and the Science Fair at my previous institution, but this year’s Vědafest was still new to me in some ways. This time, I&nbsp;was presenting a&nbsp;field that I&nbsp;myself had entered only relatively recently. It was therefore more challenging to find the right analogies and explain the essence of the topic in a&nbsp;way that was simple, yet precise and scientifically accurate. At the same time, that was exactly what made it inspiring. It forces you to look at your own work from a&nbsp;different perspective. What I&nbsp;enjoyed most was the spontaneity and curiosity of the children, who often came up with questions that would never even occur to an adult.</p><h5><strong>What are the biggest challenges you face on your scientific journey, and what helps you overcome them?</strong></h5><p>One of the greatest, but at the same time most interesting, challenges is, in my view, the uncertainty that is inseparably linked to research. For a&nbsp;long time, you often do not know whether you have taken the right direction in addressing a&nbsp;particular question or whether you will ultimately manage to find that figurative final piece of the puzzle. At the same time, this uncertainty is precisely what makes science exciting for me.</p><p>Another major challenge, particularly in interdisciplinary projects, is communication. It is important from the very formulation of a&nbsp;hypothesis and the planning of experiments through to the interpretation of results, including negative ones, and placing them in a&nbsp;broader context. To some extent, every field has its own language, and finding a&nbsp;common understanding is not always straightforward. Personally, I&nbsp;find it very helpful to be able to discuss problems with colleagues on an ongoing basis, whether individually or during regular laboratory seminars. One of the major strengths of our current group is its interdisciplinary nature, which allows me to look at the same problem from several different perspectives. It is also important for me not to lose my curiosity, because that is ultimately what leads us to ask further questions.</p><h5><strong>What are your plans after completing your PhD?</strong></h5><p>After finishing my PhD, I&nbsp;decided that I&nbsp;do not need to have everything that comes next precisely mapped out straight away. I&nbsp;would like to keep different options open for a&nbsp;while and continue building on my experience in analytical chemistry, while at the same time connecting it with other areas that have a&nbsp;biological or medical relevance. I&nbsp;believe that we can keep learning throughout our lives, so I&nbsp;am quite curious to see where the next stage of my journey will take me.</p><p><i>Thank you for the interview!</i></p>

Interview: What Drew Postdoc Taťána Gazárková to Analytical Chemistry

<p><strong>Per- and polyfluoroalkyl substances (PFAS) have earned the moniker "forever chemicals" due to their extreme persistence in the environment. Their detection is crucial for protecting public health and the environment as these synthetic compounds continue to pose significant challenges worldwide. This comprehensive exploration examines why PFAS detection matters, current detection methods, and future directions in addressing PFAS contamination.</strong></p><h3><strong>Understanding PFAS and Their Health Impacts</strong></h3><p>PFAS are a class of synthetic organic compounds with diverse structures, properties, and uses. Despite their diversity, all PFAS contain perfluoroalkyl moieties that are extremely resistant to environmental and metabolic degradation [1]. This high persistence is a defining characteristic that makes PFAS management particularly challenging.</p><h3><strong>Documented Health Effects</strong></h3><p>Current scientific research has linked PFAS exposure to numerous adverse health outcomes:</p><ul><li>Reproductive effects including decreased fertility and increased high blood pressure in pregnant women [8]</li><li>Developmental effects in children such as low birth weight, accelerated puberty, and behavioral changes [8]</li><li>Reduced immune system function, including decreased vaccine response</li><li>Interference with natural hormones and endocrine disruption</li><li>Increased cholesterol levels and obesity risk</li><li>Increased risk of several cancers, including prostate, kidney, testicular, oral cavity/pharynx, brain, and endocrine cancers [3]</li></ul><p>A 2023 study linked PFAS-contaminated water with up to a <strong>33% increase in cancer incidence</strong> in affected areas [3]. The study compared regions with elevated PFAS levels to cancer data from the National Cancer Institute, finding higher incidences of various cancers after controlling for factors like smoking and obesity.</p><h3><strong>Environmental Persistence and Contamination</strong></h3><p>The extreme persistence of PFAS represents a fundamental concern for environmental management. PFAS are considered the most environmentally persistent substances among organic chemicals [7]. This persistence means that even if all PFAS uses were immediately phased out, existing contamination would continue to affect ecosystems and water supplies for generations.</p><p>A 2023 study at a military fire training site estimated that PFAS contamination will persist for centuries without remediation [7]. The research found that terminal PFAS still exceed regulatory limits by 2000-fold decades after aqueous film-forming foam (AFFF) use ceased, with precursors accounting for around half of the extractable organofluorine across years.</p><h3><strong>Current Detection Methods</strong></h3><h4><strong>EPA Standardized Methods</strong></h4><p>The<strong> Environmental Protection Agency (EPA</strong>) has developed several standardized methods for PFAS detection, each with specific applications and capabilities:</p><h5><strong>EPA Method 533</strong></h5><p><a target="_blank" rel="noopener noreferrer" href="https://blog.organomation.com/blog/epa-533-drying-down-pfas-samples-after-spe"><strong>EPA Method 533</strong></a> focuses on "short chain" PFAS with carbon chain lengths of<strong> C4 to C12</strong>. Released in December 2019, this method complements Method 537.1 and includes several key features:</p><ul><li>Uses isotope dilution quantification approach with extracted internal standards, which reduces overall analytical uncertainty</li><li>Employs weak anion exchange solid phase extraction cartridges as opposed to polystyrene divinylbenzene used in 537.1</li><li>Can analyze 25 PFAS compounds, including additional short-chain PFAS that were not apart of Method 537.1</li><li>Allows for longer holding times: 28 days to extraction and 28 days to analyze (compared to 14 days to extraction in Method 537.1)</li><li>Uses ammonium acetate as a preservative (versus Trisma in Method 537.1) [1]</li></ul><h5><strong>EPA Method 537/537.1</strong></h5><p><a target="_blank" rel="noopener noreferrer" href="https://blog.organomation.com/blog/sample-concentration-epa-method-537-pfas-determination"><strong>EPA Method 537 </strong></a>was first published in 2009 for the determination of 14 PFAS in drinking water [6]. It was later updated to Method 537.1 in 2018 (with editorial updates in 2020) to expand its capabilities:</p><ul><li>Uses<a target="_blank" rel="noopener noreferrer" href="https://www.organomation.com/what-is-solid-phase-extraction-spe"><strong> solid phase extraction (SPE) </strong></a>and<a target="_blank" rel="noopener noreferrer" href="https://www.organomation.com/preparing-samples-for-lc-ms/ms-analysis"><strong> liquid chromatography/tandem mass spectrometry (LC-MS/MS)</strong></a></li><li>Method 537.1 expanded detection to 18 PFAS compounds, including HFPO-DA (one component of GenX technology)</li><li>Utilizes styrene-divinylbenzene (SDVB) media for extraction</li><li>Requires samples to be extracted within 14 days and analyzed within 28 days</li><li>Methanol is used to elute the extracts. This should then be reconstituted with a 96:4 methanol:water mixture [1]</li></ul><p>Together, Methods 533 and 537.1 can detect a total of <strong>29 unique PFAS compounds in drinking water </strong>and are approved for monitoring under the fifth Unregulated Contaminant Monitoring Rule (UCMR 5) and the PFAS National Primary Drinking Water Regulation [1] [3].</p><h5><strong>EPA Method 1633</strong></h5><p><a target="_blank" rel="noopener noreferrer" href="https://blog.organomation.com/blog/preparing-diverse-sample-matrices-for-epa-method-1633"><strong>EPA Method 1633</strong></a>, released in 2024, represents a significant advancement in PFAS analysis:</p><ul><li>Developed for the analysis of <strong>40 PFAS compounds </strong>in various matrices, including surface water, groundwater, wastewater, soil, biosolids, sediment, landfill leachate, and fish tissue</li><li>Expands beyond the drinking water focus of Methods 533 and 537.1</li><li>Provides a standardized approach that may replace modified drinking water methods (i.e., modified EPA 537) that were previously used for non-drinking water matrices [1]</li></ul><h4><strong>Conventional Analytical Techniques</strong></h4><p>The gold standard for PFAS analysis involves chromatographic techniques coupled with mass spectrometry:</p><ul><li>Liquid Chromatography-Tandem Mass Spectrometry (LC-MS/MS) is the most widely used method for PFAS analysis, offering high sensitivity and specificity [1]</li><li>High-Resolution Mass Spectrometry (HRMS) allows for rapid detection and identification of PFAS species at very low concentrations [5]</li></ul><p>These techniques can detect PFAS at parts per trillion (ppt) levels, which is essential given the low concentrations at which PFAS can cause health effects [1]. However, these methods require sophisticated equipment, specialized training, and significant financial resources, making them inaccessible in many regions, particularly in developing countries.</p><h4><strong>Emerging Detection Technologies</strong></h4><p>Several innovative approaches are being developed to address the limitations of conventional methods:</p><ul><li>Electrochemical biosensors using modified electrodes have shown promise for selective PFAS detection with low detection limits [2]</li><li>Surface-Enhanced Raman Spectroscopy (SERS) uses metallic nanoparticles and can be made into a portable method for on-site testing [1]</li><li>Molecular imprinted polymers (MIPs) offer thermal and physical stability, reusability, and low-cost synthesis for PFAS detection [6]</li></ul><p>These emerging technologies aim to provide more accessible, field-deployable, and cost-effective alternatives to traditional laboratory-based methods.</p><h3><strong>Challenges in PFAS Detection</strong></h3><h4><strong>Analytical Challenges</strong></h4><p>Detecting PFAS presents several technical challenges:</p><ul><li>The ubiquity of PFAS in laboratory equipment and accessories can lead to background contamination when measuring at parts-per-trillion levels [1]</li><li>Many components in liquid chromatographs, mass spectrometers, and solid-phase extraction systems contain materials that can leach PFAS compounds [9]</li><li>The vast number of PFAS (thousands of compounds) makes comprehensive detection difficult, as analytical standards are only available for a small subset [1]</li><li>Complex matrices like food and environmental samples require sophisticated sample preparation techniques</li></ul><h4><strong>Global Disparities in Detection Capabilities</strong></h4><p>Access to PFAS detection technology varies significantly worldwide:</p><ul><li>Many developing regions, particularly in Africa, lack adequately equipped laboratories with the necessary instrumentation to detect and measure PFAS</li><li>There is often a scarcity of qualified professionals with experience in PFAS analysis in these regions</li><li>The high cost of acquiring and maintaining sophisticated analytical instruments presents a substantial obstacle to conducting extensive PFAS investigations in resource-limited settings [1]</li><li>Competing priorities such as infectious diseases, poverty, and food security often divert attention and resources from environmental pollutants like PFAS</li></ul><h4><strong>Regulatory Landscape and Compliance</strong></h4><p>The regulatory framework for PFAS is evolving rapidly worldwide:</p><ul><li>The EPA finalized Section 8(a)(7) of the Toxic Substances Control Act in September 2024, requiring manufacturers and importers to report on their use of PFAS since 2011 [10]</li><li>Electronic reporting for PFAS will open on July 11, 2025, with final reporting deadlines in 2026</li><li>Companies must report detailed information including chemical identity, production volumes, industrial and consumer products, worker exposure, and disposal methods [10]</li></ul><p>These regulations are driving demand for more effective and accessible PFAS detection methods to ensure compliance and protect public health.</p><h3><strong>Future Directions in PFAS Detection</strong></h3><h4><strong>Technological Advancements</strong></h4><p>The future of PFAS detection lies in developing more accessible, sensitive, and comprehensive methods:</p><ul><li>Non-targeted screening methods that can identify unknown PFAS compounds without requiring analytical standards for each specific compound</li><li>Total fluorine analysis techniques like Adsorbable Organic Fluorine and Total Oxidizable Precursor Assay that can quantify the presence of fluorine atoms within a sample [1]</li><li>Portable sensors and field-deployable technologies that enable on-site monitoring and rapid response to contamination events</li><li>AI-driven solutions that can improve data analysis and interpretation for complex PFAS mixtures</li></ul><h4><strong>Collaborative Approaches</strong></h4><p>Addressing the global challenge of PFAS detection requires coordinated efforts:</p><ul><li>International partnerships between researchers in developed and developing regions to enhance expertise and capacity building</li><li>Standardization of analytical methods to ensure consistency and comparability of results across different laboratories and regions</li><li>Open data sharing and collaboration across countries to leverage collective knowledge and resources</li><li>Integration of PFAS monitoring into broader environmental and public health surveillance systems</li></ul><h3><strong>Conclusion</strong></h3><p>The detection of PFAS is not merely a technical challenge but a critical public health and environmental imperative [1]. As these "forever chemicals" continue to persist in our environment, developing effective, accessible, and comprehensive detection methods becomes increasingly important. By advancing detection technologies, strengthening regulatory frameworks, and fostering global collaboration, we can better understand, monitor, and ultimately mitigate the impacts of PFAS contamination.</p><p>The EPA's standardized methods (533, 537.1, and 1633) provide crucial tools for monitoring PFAS in various environmental matrices, but continued innovation is needed to address the full spectrum of PFAS compounds and to make detection more accessible globally [1] [6]. The path forward requires sustained investment in research and development, capacity building in resource-limited settings, and a commitment to environmental justice that ensures all communities have access to the tools and information needed to protect themselves from PFAS exposure. Only through such comprehensive approaches can we hope to address the complex challenges posed by these persistent pollutants.</p><p><span>Be sure to check out our other installments of our&nbsp;</span><a target="_blank" rel="noopener noreferrer" href="https://blog.organomation.com/blog/introducing-our-environmental-contaminants-series-making-sense-of-the-alphabet-soup"><span>Environmental Contaminant Series</span></a><span>&nbsp;covering&nbsp;</span><a target="_blank" rel="noopener noreferrer" href="https://blog.organomation.com/blog/the-importance-of-detecting-persistent-organic-pollutants-pops"><span>Persistent Organic Pollutants (POPs)</span></a><span>,&nbsp;</span><a target="_blank" rel="noopener noreferrer" href="https://blog.organomation.com/blog/the-importance-of-detecting-polycyclic-aromatic-hydrocarbons-pahs"><span>Polycyclic Aromatic Hydrocarbons (PAHs)</span></a><span>,&nbsp;</span><a target="_blank" rel="noopener noreferrer" href="https://blog.organomation.com/blog/the-importance-of-detecting-semi-volatile-organic-compounds-svocs"><span>Semi-Volatile Organic Compounds (SVOCs)</span></a><span>, and </span><a target="_blank" rel="noopener noreferrer" href="https://blog.organomation.com/blog/the-importance-of-detecting-polychlorinated-biphenyls-pcbs"><span>Polychlorinated Biphenyls (PCBs)</span></a><span>.</span></p>

The Importance of Detecting Per- and Polyfluoroalkyl Substances (PFAS)

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezICPMS Library in the week of 31st August 2026? Check out new documents from the field of spectroscopy/spectrometry and related techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT SPECTROSCOPY/SPECTROMETRY RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><strong>LabRulezGCMS</strong></a> libraries.</p></blockquote><p>This week we bring you brochures by <strong>Agilent Technologies </strong>and<strong> Waters Corporation </strong>and application notes by <strong>Shimadzu </strong>and<strong> Thermo Fisher Scientific!</strong></p><h3><strong>1. Agilent Technologies: Agilent OpenLab ICP-MS Software</strong></h3><p><strong>Simplify every step of ICP-MS analysis</strong></p><p><strong>For Agilent </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/icpms/library?mainauthorItems=10&amp;search=7800"><strong>7800</strong></a><strong>, </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/icpms/library?mainauthorItems=10&amp;search=7850"><strong>7850</strong></a><strong>, and </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/icpms/library?mainauthorItems=10&amp;search=7900"><strong>7900</strong></a><strong> ICP-MS systems, and Agilent </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/icpms/library?mainauthorItems=10&amp;search=8900"><strong>8900</strong></a><strong> and </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/icpms/library?mainauthorItems=10&amp;search=9500"><strong>9500 ICP-QQQ</strong></a><strong> systems.</strong></p><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/br_openlab_icp_ms_software_5994_9288en_agilent_05f01dcdef.pdf"><strong>Full PDF for download</strong></a><strong>&nbsp;</strong></li></ul><p>The brochure introduces <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/icpms/library?mainauthorItems=10&amp;search=OpenLab+ICP-MS+Software"><strong>Agilent OpenLab ICP-MS Software</strong></a>, designed to simplify routine operation and data handling for <strong>Agilent 7800, 7850, and 7900 ICP-MS systems</strong> and the <strong>8900</strong> and <strong>9500</strong> <strong>ICP-QQQ systems</strong>. The software supports the complete analytical workflow—from checking instrument readiness and creating batches to acquisition, data review, reporting, and compliance. A central dashboard provides an overview of system status, maintenance requirements, instrument health, and utilization, while Smart EMF and post-run performance checks help users identify when maintenance may be required. Guided Diagnostics, Meter Monitor, and time-stamped system records also support troubleshooting by tracking parameters such as vacuum levels, gas flows, and temperatures.</p><p>Method and batch setup are designed to reduce manual configuration. Batches can be created from preset methods, templates, existing batches, Method Wizard, or Method Advisor, and legacy Agilent ICP-MS MassHunter batches can be opened directly in OpenLab ICP-MS. For the <strong>9500 ICP-QQQ</strong>, Method Advisor provides an element-focused approach in which users select target elements and calibration information while the software applies recommended acquisition masses and cell-gas conditions. Preset methods are available for applications including <strong>EPA 200.8/EPA 6020, USP &lt;232&gt;, ICH Q3D, and Chinese Pharmacopoeia requirements</strong>, while an IntelliQuant Screening preset supports semiquantitative screening of unknown samples. Routine instrument tasks can also be automated through autotuning, startup checks, batch queues, end-of-run verification, rinse functions, and automatic shutdown.</p><p>For data evaluation, OpenLab ICP-MS provides a real-time workspace where users can review analyte concentrations, internal-standard recoveries, stability plots, spectra or chromatograms, calibration information, QC charts, and IntelliQuant results in a single view. <strong>IntelliQuant</strong> acquires a complete mass spectrum and displays semiquantitative elemental concentrations using a color-coded periodic table, while <strong>IntelliQuant Star Rating</strong> assigns a zero-to-five-star data-quality score based on factors such as potential interferences, calibration quality, background, detection limits, and precision. Reporting options include whole-batch reports, elemental impurity reports for USP &lt;232&gt;/&lt;233&gt; and ICH Q3D, customizable reports, structured CSV export, and direct data transfer to LIMS.</p><p>The software can be expanded for specialized applications, including <strong>LC-ICP-MS and GC-ICP-MS</strong>, advanced QC workflows, single-particle ICP-MS and FFF-ICP-MS, ADS 2 automation, semiconductor analysis, and peripheral-device control. Supported analytical approaches include external calibration, standard additions, semiquantitative calibration, isotope ratios, and isotope dilution. For regulated laboratories, OpenLab ICP-MS can be combined with scalable OpenLab compliance solutions providing electronic signatures, user access control, configurable roles, system activity logs, and audit trails, supporting workflows subject to <strong>21 CFR Part 11, EU Annex 11, and equivalent regulations</strong>. Overall, the platform is positioned as a unified environment for routine and advanced ICP-MS workflows, combining instrument control, method setup, diagnostics, data-quality assessment, reporting, and compliance support.</p><h3><strong>2. Shimadzu: Identification of Virgin PET and Recycled PET by X-ray Fluorescence Spectrometry</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/an_01_01204_en_f3f20ff020.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User benefits</strong></h5><ul><li>EDX enables the identification of recycled PET.&nbsp;</li><li>Measurements are quick and simple, require no cumbersome pretreatment, and can be automated using a multi-sample turret.&nbsp;</li><li>The instrument offers excellent cost-performance and supports the detection of a wide range of elements.</li></ul><p>Establishing a sustainable circular economy is a major societal challenge, and recycling plastic materials such as PET (polyethylene terephthalate) plays a particularly important role in reducing environmental impact. Large numbers of PET bottles and molded products are used every day in the food and beverage sectors. To recycle these materials safely and reliably, technologies are required that can accurately identify their origin. In practice, however, appearance and conventional physical properties alone are insufficient to distinguish virgin material from recycled material, creating a need for a more reliable identification method.&nbsp;</p><p>For rapid identification in industrial settings, a method requiring little or no pretreatment is highly desirable. In some cases, nondestructive analysis is also needed to enable subsequent application of other analytical techniques. This article presents a practical approach in which metal catalysts present in PET are detected by EDX (Energy-Dispersive X-ray Spectroscopy) and used to distinguish material-recycled PET from virgin PET.</p><h4><strong>Principle and Overview&nbsp;</strong></h4><p>Metal catalysts such as antimony (Sb) and germanium (Ge) are used in the synthesis of PET resin. These catalyst metals have been reported to be useful indicators of material origin. 1),2) For example, Sb and Ge are frequently detected together in material-recycled PET, whereas only one catalyst metal is detected in chemically recycled PET and virgin PET. This likely reflects the fact that material-recycled PET is derived from a mixture of feedstocks using different catalysts.&nbsp;</p><p>ICP-AES (ICP optical emission spectrometry) and ICP-MS (ICP mass spectrometry), which are commonly applied to catalyst metal analysis, provide high sensitivity and accuracy. However, they require pretreatment to convert the sample into a solution, thereby lengthening the analytical workflow. By contrast, EDX can measure solid samples directly, making it well-suited to applications requiring rapid results, such as incoming material inspection and in-line analysis in molding plants. Because EDX is non-destructive, it is also suitable for multimodal analytical workflows.&nbsp;</p><p>On the other hand, some commercially available handheld EDX instruments do not support elements such as Sb and Ge. At the same time, higher-end systems may not offer the specifications or price range needed for industrial deployment. The <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/icpms/library?mainauthorItems=1&amp;search=EDX-7200"><strong>EDX-7200</strong></a> supports a broad range of elements with excellent cost performance. This article describes the analysis of Sb and Ge in PET using this instrument.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>EDX enables rapid and straightforward elemental analysis without cumbersome sample pretreatment. Previous studies have shown that the presence of Sb and Ge can be used to identify recycled PET. Building on this concept, this article presents a practical analytical approach based on EDX. Using the EDX-7200, which combines broad elemental coverage with excellent cost performance, the proposed method provides a practical tool for rapid on-site identification, quality control, and traceability management. When combined with physical property data and other information, this approach is expected to contribute to the safety assessment and quality assurance of recycled materials, thereby supporting a more advanced circular economy.</p><h3><strong>3. Thermo Fisher Scientific: Optimizing lithium-ion battery recycling operations using handheld XRF analysis</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/lithium_ion_battery_recycling_handheld_xrf_analysis_an1120_en_4c00477b78.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The shift to a low-carbon economy and the adoption of electric vehicles will drive an exponential increase in the demand for lithium-ion batteries. As a corollary to this, the International Energy Agency expects the demand for some key commodities to increase significantly over the next two decades: the demand for Copper (Cu) is anticipated to increase by more than 40%; for nickel (Ni) and cobalt (Co), by 60-70% each; and for lithium (Li), by nearly 90%.¹ This will translate into increased mining activities and potentially generate larger amounts of deleterious waste.&nbsp;</p><p>To reduce the environmental impact and limit reliance on scarce commodities associated with economical and geopolitical implications, several countries have implemented regulations regarding producers’ responsibilities.² These regulations contain both incentives and accountability guidelines for lithium-ion battery and electric vehicles manufacturers. Their goal is to facilitate the emergence of a circular economy in which recycling will increasingly contribute to the supply of the strategic raw materials.&nbsp;</p><p>Lithium-ion batteries are made of multiple components, the most valuable being the cathode that contains between 40 and 70% ³, ⁴ of the total value of the battery, depending on its exact chemistry. As of 2023, lithium nickel cobalt manganese oxides (NCM) account for 66% of lithium-ion battery cathode active materials for electric vehicles, followed by lithium iron phosphates (LFP) which account for 24%, and lithium nickel cobalt aluminum oxide (NCA) accounts for the remaining 10%.³</p><h4><strong>Handheld X-ray Fluorescence Analysis&nbsp;</strong></h4><p>Handheld X-ray fluorescence analysis (HHXRF) is an elemental analysis technique that has proven to be cost-effective in recycling areas such as scrap metal and automotive catalytic converters. HHXRF can measure elements from magnesium (Mg) to uranium (U) in various types of materials such as metals and alloys; non-metallic inorganic materials such as ceramics; or ores or plastics. The <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1993"><strong>Thermo Scientific™ Niton™ XL2</strong></a> and <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1992"><strong>Thermo Scientific™ Niton™ XL5 Plus Handheld XRF Analyzers </strong></a>deliver accurate elemental analysis in real time, with little or no sample preparation, across multiple steps of the lithium-ion battery recycling workflow. Although handheld XRF does not detect lithium, it can measure most elements from the periodic table including nickel or cobalt which often command much higher value than the lithium in a lithium-ion battery.⁴</p><h4><strong>Conclusion&nbsp;</strong></h4><p>There is no ideal process to recycle lithium-ion batteries that simultaneously incorporates low environmental impact, high metal recovery yield, and economic viability. Because of the variety of technologies and materials used, recycling lithium-ion batteries is a complex journey with multiple possible paths. HHXRF helps recyclers by generating lab-quality data in real time, allowing them to optimize their processes and make fast decisions that generate significant benefits:&nbsp;</p><ul><li>Unwanted materials containing heavy metals such as lead or cadmium can be prevented from entering subsequent steps in the recycling workflow.&nbsp;</li><li>Materials can be accurately sorted and adequate processes for recovery selected depending on the material type (e.g., LFP vs. MCM).&nbsp;</li><li>The economic value of incoming and outgoing material can be more accurately estimated.</li></ul><h3><strong>4. Waters Corporation: Waters Aura Systems</strong></h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/720009268_7b9ad02cb4.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The presentation introduces the <strong>Waters Aura Systems</strong>, a family of high-throughput, fluidics-free instruments for the characterization and identification of visible and subvisible particles. All Aura platforms provide particle counting, identification, morphology assessment, and flexible sample volumes ranging from microliters to milliliters. The portfolio includes configurations tailored to different applications: <strong>AuraBMI</strong> for biologics particle analysis, <strong>Aura</strong> for particle analysis with identification, <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/2437"><strong>AuraPTx</strong></a> for protein formulation development, <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/2438"><strong>AuraGT</strong></a> for gene therapy, <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/2439"><strong>AuraCL</strong></a> for cell therapy, and <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/2190"><strong>Aura+</strong></a> as the most comprehensive platform. The systems are designed for automation-ready operation, straightforward method transfer, and continuity from research through QC.</p><p>A key feature of the Aura platform is the combination of <strong>Backgrounded Membrane Imaging (BMI), Fluorescence Membrane Microscopy (FMM), and Side Illumination Membrane Imaging (SIMI)</strong>. BMI captures particles on a membrane and subtracts the membrane background to improve particle contrast, while FMM uses fluorescent dyes or conjugated antibodies to distinguish specific particle types. This enables differentiation of protein aggregates, cells, viral capsids, degraded excipients, plastics, fibers, and other contaminants that may look similar based on morphology alone. SIMI adds further information for identifying unlabeled inorganic particles such as glass, fibers, and Dynabeads. Together, these techniques provide more specific particle identification than morphology-based classification alone.</p><p>The systems are particularly suited to <strong>biologics, gene therapy, and cell therapy development</strong>. For gene therapy, Aura can evaluate AAV stability, distinguish capsid-related particles, and monitor DNA leakage using SYBR Gold fluorescence, with measurements possible from as little as <strong>5 µL of sample</strong>. For cell therapy, the system can differentiate single cells, cell aggregates, protein aggregates, and extrinsic particles. The platform also supports flexible sample volumes and 24- or 96-well membrane formats, allowing the same general approach to be used from sample-limited early development through larger-volume and QC workflows. The brochure reports excellent quantitative linearity across serial dilutions and emphasizes the ability to preserve sample for additional orthogonal analyses.</p><p>From a technical perspective, Aura Systems provide <strong>100% sampling efficiency</strong>, a particle detection and quantitation range above <strong>1 µm</strong>, and can handle concentrations above <strong>3,000,000 particles/mL</strong> for 1.6 µm particles. Brightfield membrane imaging takes approximately <strong>one minute per sample</strong>, while fluorescence measurements require about <strong>15–30 seconds per sample</strong>. The instruments are compatible with robotic automation and offer different fluorescence-channel configurations depending on the selected Aura model. Overall, the platform is positioned as a comprehensive solution for obtaining quantitative particle counts together with information on particle identity and composition across the development and quality-control lifecycle.</p>

News from LabRulezICPMS Library - Week 36, 2026

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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.

Czech Academy of Sciences

Everything from the world of analytical chemistry in one place. We connect people in solving their problems. At Labrulez you will find all the necessary information easily, quickly and clearly. Stop searching and start finding.

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Organomation, founded in 1959, designs and manufactures high-quality nitrogen evaporators and extraction systems. Known for innovation and durability, their lab instruments are used globally for efficient sample preparation with strong customer support.

Organomation

Mestrelab Mnova Gears – Affinity Screen software

Automated software tool for processing data from affinity selection mass spectrometry assays.

<h3><strong>Automated solution for affinity selection mass spectrometry data processing, interpretation, and hit identification</strong></h3>
<p><strong>Automated software tool for processing data from affinity selection mass spectrometry assays</strong>, where large libraries of compounds are tested against a target protein or other macromolecules (DNAs/RNAs) using a multiplexed approach.</p>
<p>The Affinity Screen software <strong>sorts input data</strong> files, <strong>processes the data</strong>, and <strong>compares the results</strong> from “free” and “bound” states to determine whether a molecule binds to a target or not. It <strong>generates human-readable reports</strong> where hits can be quickly identified and reviewed by experts to confirm positive result.</p>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Affinity_Screen_software_Analyze_up_to_1_M_compounds_in_a_single_click_ee4ab26bc5.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears – Affinity Screen software - Analyze up to 1M compounds in a single click!"/></p>
<blockquote>
<h3><a href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwskt"><strong>Visit MestreLab Research Mnova Gears – Affinity Screen product page to learn more!</strong></a></h3>
</blockquote>
<h3><strong>Affinity Screen Benefits</strong></h3>
<ul>
<li><strong>Analyze affinity selection MS data from any LCMS instrument</strong>, regardless of the format</li>
<li><strong>Customize and streamline the analysis</strong> process from data pick up to results reporting and archiving</li>
<li><strong>Empower less experienced users</strong> to independently perform affinity selection MS assays and obtain results</li>
<li><strong>Minimize errors and enhance efficiency</strong> by reducing manual input</li>
<li><strong>Accelerate lead discovery</strong> by screening up to 1M compounds with a single click</li>
<li>Maintain <strong>control over data quality</strong> by setting controls and flags for result assessment</li>
<li><strong>Save time on routine and irrelevant data analysis</strong>, enabling a focus on innovation and decision-making</li>
</ul>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Best_Method_software_2_8cff8a724b.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears – Affinity Screen software."/></p>
<h3><strong>Affinity Screen Features</strong></h3>
<ul>
<li><strong>Customizable configuration</strong> for picking up and sorting hundreds of datasets containing data for target-free, +target, and -target samples for each compound mixture with a single click</li>
<li>Flexibility to <strong>define criteria for peak detection and hit scoring</strong></li>
<li>Ability to <strong>review and interact with results</strong>, revise, and recalculate as needed</li>
<li><strong>Traffic light system</strong> indicating the presence or absence of hits in a well</li>
<li><strong>Detailed results for each hit</strong> displayed on a separate page with stacked EICs (Extracted Ion Chromatograms)</li>
<li>Generation of multiple and <strong>customizable outputs</strong>, <strong>automatically archived</strong> (reports can be generated in the user’s desired format, filtering data by target, compound, hit score, etc.)</li>
<li><strong>Results warnings and commenting</strong></li>
<li><strong>Flexible setup</strong> and <strong>robust integration</strong> capability with other laboratory systems</li>
</ul>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Affinity_Screen_software_1_9a42987909.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears – Affinity Screen software."/></p>
<h3><strong>Markets</strong></h3>
<p>Academic, Government &amp; Industrial</p>
<h4><strong>Who should be using Affinity Screen?</strong></h4>
<ul>
<li>Drug discovery laboratories</li>
<li>Natural product research</li>
<li>Food and beverage industries</li>
<li>Personal care and cosmetics</li>
<li>Fine chemical synthesis industries</li>
<li>Polymer industries</li>
<li>Research laboratories</li>
<li>Contract Research Organizations (CROs) and other research service providers</li>
<li>Compound library screening for hit identification and lead discovery</li>
<li>Screening natural compounds, polymer-based biomaterials, food additives, etc., to identify their binding to a target protein</li>
</ul>


Mestrelab Research Chrom SST (System Suitability Testing) software

Chrom SST is a tool designed to automate System Suitability Testing data processing and analysis. It compares SST data to predefined specifications and provides actionable insights on instrument performance.

<p><strong>Automating data analysis for System Suitability Testing</strong></p><p><strong>Chrom SST is a vendor-agnostic tool </strong>designed to <strong>automate System Suitability Testing (SST) data processing and analysis</strong>. It compares SST data to predefined specifications and provides actionable insights on instrument performance.</p><h4><strong>Benefits</strong></h4><ul><li><strong>Integrates with various instruments</strong>, offering flexibility and scalability</li><li>Centralizes data for easy dashboarding enabling <strong>performance monitoring and preventive maintenance</strong></li><li>Enhances lab productivity and instrument uptime by allowing <strong>scheduling and automation of analyses</strong></li><li>Provides accurate and easy-to-interpret results, <strong>reducing manual effort and errors</strong></li></ul><h4><strong>Features</strong></h4><h5><strong>Simplified and Intuitive UI</strong></h5><p><strong>Chrom SST</strong> features a user-friendly interface designed to streamline the setup and execution of analyses, making it accessible even to non-experts. The intuitive layout ensures users can quickly perform essential tasks without requiring extensive training.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Chrom_SST_Automating_data_analysis_for_System_Suitability_Testing_2_537f61b491.jpg" alt="Mestrelab Research Chrom SST: Simplified and Intuitive UI" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Chrom_SST_Automating_data_analysis_for_System_Suitability_Testing_2_537f61b491.jpg 245w," sizes="100vw" width="736" height="427"></p><h5><strong>Automated Evaluation and Customization</strong></h5><p>The tool a<strong>utomates the evaluation of system suitability data</strong> against predefined specifications, delivering precise pass/fail outcomes. With robust customization options, users can tailor methods to their specific requirements and reuse them effortlessly, enabling faster setups and ensuring consistent, reliable results.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Chrom_SST_Automating_data_analysis_for_System_Suitability_Testing_097ef6b122.jpg" alt="Mestrelab Research Chrom SST: Automated Evaluation and Customization" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Chrom_SST_Automating_data_analysis_for_System_Suitability_Testing_097ef6b122.jpg 245w," sizes="100vw" width="736" height="427"></p><h5><strong>Enhanced Data Presentation</strong></h5><p><strong>Chrom SST</strong> includes a results dashboard and a comprehensive error-handling system. Clear messages and visual flags help identify and resolve system failures promptly, ensuring dependable and accurate performance assessments.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Chrom_SST_Automating_data_analysis_for_System_Suitability_Testing_3_9cdf4f6d7b.jpg" alt="Mestrelab Research Chrom SST: Enhanced Data Presentation" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Chrom_SST_Automating_data_analysis_for_System_Suitability_Testing_3_9cdf4f6d7b.jpg 245w," sizes="100vw" width="736" height="427"></p><h5><strong>Versatile Output Formats</strong></h5><p>Chrom SST supports <strong>various output formats</strong>, including Mnova files, PDFs, CSVs, and JSON, ensuring seamless interoperability with third-party tools. This versatility enables data centralization, visualization, and advanced analytics, empowering labs to fully leverage their data’s potentia.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Chrom_SST_Automating_data_analysis_for_System_Suitability_Testing_4_8c7bae67dd.jpg" alt="Mestrelab Research Chrom SST: Versatile Output Formats" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Chrom_SST_Automating_data_analysis_for_System_Suitability_Testing_4_8c7bae67dd.jpg 245w," sizes="100vw" width="736" height="427"></p>

Mestrelab Mnova Gears - Chrom Cal software

Chrom Cal is an advanced software solution developed by Mestrelab Research to automate and streamline the creation of calibration curves for accurate chromatographic quantitation

<h4><strong>Automated evaluation and generation of calibration curves for multiple compounds</strong></h4><p data-start="0" data-end="639"><strong data-start="0" data-end="13">Chrom Cal</strong> is an advanced software solution developed by Mestrelab Research to <strong>automate</strong> and <strong>streamline the creation of calibration curves for accurate chromatographic quantitation</strong>. Fully integrated within the Mnova suite, Chrom Cal efficiently processes spectral datasets, plots integration areas against known analyte concentrations, performs statistical analyses to fit calibration lines, validates results based on pre-set criteria, and generates automatic reports and result files for downstream quantitation. This comprehensive approach enhances both efficiency and accuracy, effectively handling multiple compounds simultaneously.</p><h4><strong data-start="641" data-end="654">Benefits:</strong></h4><ul><li><strong>Easy generation of calibration curves </strong>for all the compounds in one run.</li><li><strong>Huge time saving</strong> <strong>on result reviewing</strong>, enabling a review-by-exception strategy.</li><li><strong>Better understanding and revision of the results</strong> taking into account the spectral context.</li><li><strong>Seamless transfer of calibration results to downstream analyses</strong>, avoiding transcription errors.</li></ul><h4><strong>Features:</strong></h4><h5><strong data-start="1039" data-end="1108">Automatic pick-up and grouping of spectral datasets for analysis</strong></h5><p data-start="1039" data-end="1542">Chrom Cal is fully integrated in Mnova and can handle spectral datasets, extracting the information needed for calculating calibration curves without the need for data transcription into third-party software or spreadsheets. After data ingestion, Chrom Cal can detect and group samples from different compounds automatically based on an input CSV file, allowing calibration curves for those compounds to be generated in a single run.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Cal_Automatic_pick_up_and_grouping_of_spectral_datasets_for_analysis_f4dab8cce6.webp" alt="Mestrelab Research: Mestrelab Mnova Gears - Chrom Cal - Automatic pick-up and grouping of spectral datasets for analysis" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Cal_Automatic_pick_up_and_grouping_of_spectral_datasets_for_analysis_f4dab8cce6.webp 182w," sizes="100vw" width="1282" height="1100"></p><h5><strong data-start="1546" data-end="1659">Powerful algorithms to fit calibration curves and evaluate results based on pre-defined quality requirements</strong></h5><p data-start="1546" data-end="2109">Chrom Cal processes spectral data, integrates compound peaks, and fits calibration curves to data points in a fully automated fashion. Acceptance criteria, such as R² value thresholds or slope ranges, and cross-validation rules can be pre-defined in the method and evaluated at the end of the analysis to approve or reject calibration results. This allows control over the quality and linearity of results and speeds up the result reviewing process.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Cal_Powerful_algorithms_to_fit_calibration_curves_and_evaluate_results_based_on_pre_defined_quality_requirements_65569ca27a.webp" alt="Mestrelab Research: Mestrelab Mnova Gears - Chrom Cal - Powerful algorithms to fit calibration curves and evaluate results based on pre-defined quality requirements" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Cal_Powerful_algorithms_to_fit_calibration_curves_and_evaluate_results_based_on_pre_defined_quality_requirements_65569ca27a.webp 245w," sizes="100vw" width="1448" height="910"></p><h5><strong data-start="2113" data-end="2150">Live results in tables and plots</strong></h5><p data-start="2113" data-end="2622">Calibration and validation results are displayed in a result viewer that allows both global and detailed review of the data. Users can navigate between compounds to check standard curve plots and parameters. Each data point on the graph is dynamically linked to results tables and spectra. Users can zoom in or out on the plot, include or exclude samples from the analysis, or correct peak assignments or integrations when needed, with results automatically recalculated.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Cal_Live_results_in_tables_and_plots_a3b64eaabb.webp" alt="Mestrelab Research: Mestrelab Mnova Gears - Chrom Cal - Live results in tables and plots" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Cal_Live_results_in_tables_and_plots_a3b64eaabb.webp 245w," sizes="100vw" width="1328" height="827"></p><h5><strong data-start="2626" data-end="2687">Multiple analysis outputs nicely generated and organized</strong></h5><p data-start="2626" data-end="3043">Chrom Cal generates automatic CSV, Mnova, PDF, and HTML reports with calibration and validation results, saved in chosen locations along with metadata, logs, and settings, improving data management. Calibration results in JSON files feed downstream quantitative analysis, allowing extraction without manual transcription, reducing errors, and saving time.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Cal_Multiple_analysis_outputs_nicely_generated_and_organized_86d47119e2.webp" alt="Mestrelab Research: Mestrelab Mnova Gears - Chrom Cal - Multiple analysis outputs nicely generated and organized" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Cal_Multiple_analysis_outputs_nicely_generated_and_organized_86d47119e2.webp 245w," sizes="100vw" width="1153" height="709"></p>

Mestrelab Mbook 4.0 

Mbook, a powerful Electronic Laboratory Notebook (ELN), is designed specifically for chemists, providing a streamlined solution for managing experimental data.

<p class="cke-user_style-important"><strong>Designed by chemists, for chemists</strong></p><p>In today's chemistry labs, efficiency, data security, and seamless collaboration are essential for success. <a target="_blank" rel="noopener noreferrer" href="https://mestrelab.com/main-product/mbook-chemistry?utm_source=adv&amp;utm_medium=labrulez&amp;utm_campaign=mar&amp;utm_term=mbook&amp;utm_content=blogpost"><strong>Mbook</strong></a>, a powerful Electronic Laboratory Notebook (ELN), is designed specifically for chemists, providing a streamlined solution for managing experimental data, analytical results, team coordination, stockroom inventory, and overall workflow efficiency.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mbook_Header_Image_e5fa76cd18.jpg" alt="Mestrelab Research: Mbook 4.0" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mbook_Header_Image_e5fa76cd18.jpg 242w," sizes="100vw" width="1406" height="906"></p><h4><strong>Why choose Mbook?</strong></h4><p>Mbook 4.0 is more than just an ELN for recording your reactions, projects, or experiments—it offers advanced capabilities to optimize your laboratory management, including:</p><ul><li>Experiment witnessing for enhanced supervision and confidence</li><li>COSHH assessments to simplify chemical safety management</li><li>Comprehensive inventory management with a Compound DB of over 2,500 preloaded compounds</li><li>Customizable Stockroom with PDF exportable options</li><li>Bottle consumption and tracking for accurate inventory control</li><li>Customizable Reports for actionable insights</li><li>Integrated raw data processing and analysis powered by Mnova 15.1</li><li>In-app messaging system for seamless communication</li><li>Advanced experiment write-up section for detailed documentation<br>…and much more!</li></ul><h4><strong>What’s New in Mbook 4.0?</strong></h4><p>Mbook continues to evolve with cutting-edge features and improvements. <strong>Mbook 4.0 is now available</strong>, bringing enhanced usability, performance upgrades, and deeper integration with advanced analytical tools. Explore its powerful features today!<br>Start optimizing your lab workflow today! <a target="_blank" rel="noopener noreferrer" href="https://mestrelab.com/mbook-trial"><strong>Click here </strong></a>to begin your free trial of Mbook.</p>

Mestrelab Mnova Hub software

Mnova Hub is a data browser that connects to various data providers and allows you to seamlessly retrieve, modify, and store data from within Mnova.

<p><strong>Streamlining Data Access and Exploration through Seamless Integration</strong></p><p>Spectral data is often scattered across diverse file systems and cloud-based repositories and is difficult to access. Mnova Hub is a data browser that connects to various data providers and allows you to seamlessly retrieve, modify, and store data from within Mnova, offering a centralized platform for exploration and analysis.</p><h4><strong data-start="641" data-end="654">Benefits:</strong></h4><ul><li>Seamlessly push and pull data from various providers using our unique data browser tool.</li><li>Cut out the middleman! Forget about manually downloading data; open and view it directly within Mnova.</li><li>Do not compromise security for easy data browsing; enjoy the ‘best of both worlds’ by effortlessly navigating secure data platforms.</li></ul><h4><strong>Features:</strong></h4><h5><strong data-start="1039" data-end="1108">Connection to various data providers</strong></h5><p>Mnova Hub provides easy and safe connections to various data sources, including databases (SQL and MnDB), Scientific Data Management Systems and data hubs (LOGS, ZONTAL), TopSpin (part of the Bruker Chemist Suite), and file systems. Each provider has a unique setup dialog that allows for customized configuration. Its flexible design ensures that integrating new providers is easily achievable.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Hub_Connection_to_various_data_providers_ecc1b930ce.webp" alt="Mestrelab Research: Mestrelab Mnova Hub - Connection to various data providers." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mestrelab_Mnova_Hub_Connection_to_various_data_providers_ecc1b930ce.webp 245w," sizes="100vw" width="1104" height="641"></p><h5><strong data-start="1546" data-end="1659">Data searches and filtering</strong></h5><p>Mnova Hub has a configurable results display table that adapts to your preferences, allowing you to preview data, sort and filter results using available metadata filters, and fine-tune your search. This enables you to quickly and efficiently identify relevant datasets.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Hub_Data_searches_and_filtering_fd7c371f66.webp" alt="Mestrelab Research: Mestrelab Mnova Hub - Data searches and filtering" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mestrelab_Mnova_Hub_Data_searches_and_filtering_fd7c371f66.webp 245w," sizes="100vw" width="1196" height="694"></p><h5><strong data-start="2113" data-end="2150">Seamless Data Management with Cloud Advantages</strong></h5><p>Mnova Hub offers a seamless experience for opening and saving data with just one step, akin to managing files on a local file system. With Mnova Hub, you no longer need to compromise between the convenience of local file handling and the advanced security, accessibility, and searchability features of cloud storage.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Hub_Seamless_Data_Management_with_Cloud_Advantages_8b8effce32.webp" alt="Mestrelab Research: Mestrelab Mnova Hub - Seamless Data Management with Cloud Advantages." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mestrelab_Mnova_Hub_Seamless_Data_Management_with_Cloud_Advantages_8b8effce32.webp 245w," sizes="100vw" width="1104" height="640"></p>

Mestrelab Mnova ElViS software

By integrating Mnova ElViS into your analytical workflows, you can enhance the efficiency and accuracy of your spectroscopic data analysis across a wide range of techniques.

<h4><strong>Visualize, process, analyze and report various electronic and vibrational spectroscopic techniques</strong></h4><p>Carry out the analysis of various optical spectroscopy data including ultraviolet and visible (UV/Vis), near and mid infrared (NIR/MIR), Raman, fluorescence, and other spectroscopic methods operating in the whole region of wavelength from 100 nm to 100 µm.</p><h4><strong data-start="641" data-end="654">Benefits:</strong></h4><ul><li>Spectroscopic processing and analysis of ultraviolet and visible (UV/Vis), near and mid infrared (NIR/MIR), Raman, fluorescence methods.</li><li>Vendor and Operating System agnostic, supports most data file formats.</li><li>Wide range of processing functions, including a dynamic processing template.</li><li>Manual and automatic peak picking analysis.</li><li>Data Analysis of stacked/arrayed spectra.&nbsp;</li></ul><h4><strong>Features:</strong></h4><h5><strong data-start="1039" data-end="1108">PLS-Based Baseline Correction Tool (IarPLS)</strong></h5><p>To improve the processing of electronic and vibrational spectroscopy data, Mnova 15 introduces an enhanced PLS-based baseline correction tool, IarPLS (penalized-least-squares based). It now features an automatic button to compute the near-optimal asymmetry parameter.&nbsp;</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_EI_Vis_PLS_Based_Baseline_Correction_Tool_Iar_PLS_f3180f6927.webp" alt="Mestrelab Research: Mnova EIVis - PLS-Based Baseline Correction Tool (IarPLS)." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_EI_Vis_PLS_Based_Baseline_Correction_Tool_Iar_PLS_f3180f6927.webp 245w," sizes="100vw" width="1500" height="845"></p><h5><strong>Normalization Processing Modes</strong></h5><p>Three Normalization Processing modes, namely Largest Peak, Integral and Vector Length are available in Mnova 15. These three features aim to simplify the baseline correction process, streamline your workflow, and provide a rapid method for normalizing data to address quantitative issues.&nbsp;</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_EI_Vis_Normalization_Processing_Modes_675cb7c407.webp" alt="Mestrelab Research: Mnova EIVis - Normalization Processing Modes" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_EI_Vis_Normalization_Processing_Modes_675cb7c407.webp 245w," sizes="100vw" width="1500" height="844"></p><h5><strong>Electronic and Vibrational Spectroscopies supported file formats</strong></h5><p>Mnova ElViS supports the most frequently used data file formats for these analytical techniques, including import and export of single and multi-column matrix-like spectra (i.e., ASCII XY and XYY, as .txt or .csv files). Supported formats include SPC (Galactic), JCAMP-DX, OPUS (Bruker), SPA and SPG (Omnic), Perkin Elmer's .sp files, and ASCII (XY and XYY).</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_EI_Vis_Electronic_and_Vibrational_Spectroscopies_supported_file_formats_bb6afc3eab.webp" alt="Mestrelab Research: Mnova EIVis - Electronic and Vibrational Spectroscopies supported file formats" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_EI_Vis_Electronic_and_Vibrational_Spectroscopies_supported_file_formats_bb6afc3eab.webp 245w," sizes="100vw" width="1500" height="910"></p><h5><strong>Manual &amp; automatic spectral analysis</strong></h5><p>Mnova ElViS provides both manual and automatic peak picking, offering flexibility and convenience in your spectral analysis. It also features advanced tools for the analysis of stacked or arrayed spectra, ensuring thorough data evaluation and interpretation for all your spectral needs.&nbsp;</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_EI_Vis_Manual_and_automatic_spectral_analysis_e24a19a151.webp" alt="Mestrelab Research: Mnova EIVis - Manual &amp; automatic spectral analysis" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_EI_Vis_Manual_and_automatic_spectral_analysis_e24a19a151.webp 240w," sizes="100vw" width="940" height="611"></p><h5><strong>Main processing features</strong></h5><p>Mnova ElViS comes with a range of useful processing features, including Multiplicative Scatter Correction, Probabilistic Quotient Normalization, Baseline correction (both automatic IarPLS and tailored Multipoint Baseline Correction), several smoothing techniques (such as Savitzky-Golay, Nonlocal Means, Exponential), normalization and Standard Normal Variate (SNV), derivatives, and units conversion between absorbance and transmittance.<br><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_EI_Vis_Main_processing_features_bc6eb64b99.webp" alt="Mestrelab Research: Mnova EIVis - Main processing features" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_EI_Vis_Main_processing_features_bc6eb64b99.webp 245w," sizes="100vw" width="1074" height="581"></p>

Mestrelab Mnova IUPAC Name software

Mnova IUPAC Name quickly generates IUPAC names for molecular structures within Mnova documents

<h4><strong>Generate the IUPAC name for your molecular structures</strong></h4><p><strong>Mnova IUPAC</strong> Name quickly generates IUPAC names for molecular structures within Mnova documents, making it an essential tool for organic chemists. With just one click, you can name any molecular structure. The tool also supports full automation, allowing entire compound libraries to be named in minutes. For more details, explore the Mnova Gears IUPAC Name solution.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_IUPAC_8e9ddfe661.webp" alt="Mestrelab Research: Mnova IUPAC Name" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_IUPAC_8e9ddfe661.webp 228w," sizes="100vw" width="1244" height="853"></p><p><strong>What’s IUPAC Name?</strong></p><p>The International Union of Pure and Applied Chemistry (<strong>IUPAC</strong>) is the world authority on chemical nomenclature and terminology, including the naming of new elements in the periodic table; on standardized methods for measurement; and on atomic weights, and many other critically-evaluated data.</p><p>IUPAC is the universally-recognized authority on chemical nomenclature and terminology and two IUPAC bodies take leading roles in this activity: Division VIII – Chemical Nomenclature and Structure Representation and the Inter-divisional Committee on Terminology, Nomenclature, and Symbols.</p><p><a target="_blank" rel="noopener noreferrer" href="https://iupac.org/"><strong>Read more about IUPAC here.</strong></a></p><h4><strong data-start="641" data-end="654">Benefits:</strong></h4><ul><li>One-click generation of IUPAC names within Mnova software.</li><li>Phane nomenclature for precise naming of complex molecular structures.</li><li>Generates Preferred IUPAC Names (PIN) for all classes of parent hydrides, including acyclic, monocyclic, polyalicyclic, spiro, fused, and bridged ring systems.</li><li>Works with a smaller library of functional groups and advanced algorithms for correct IUPAC combination.&nbsp;</li></ul>

Mestrelab Mnova Advanced Chemometrics software

Leverage sophisticated multivariate analysis tools such as PCA, PLS, and SIMCA for in-depth data exploration, regression, and classification.

<h4><strong>Advanced Chemometrics for Enhanced Data Analysis</strong></h4><p>Leverage sophisticated multivariate analysis tools such as <strong>PCA, PLS, and SIMCA</strong> for in-depth data exploration, regression, and classification. The user-friendly interface ensures seamless integration of spectral data with analysis results, making it ideal for advanced users seeking powerful chemometric techniques for comprehensive data analysis.</p><h4><strong data-start="641" data-end="654">Benefits:</strong></h4><ul><li><strong>All-in-One Solution</strong>: Offers seamless spectral processing, binning, and analysis with just a few clicks, simplifying workflows and managing complex data efficiently in a single platform.</li><li><strong>Incorporates Recognized Methods:</strong> Includes PCA, PLS, and SIMCA for advanced data analysis and unsupervised chemometrics.</li><li><strong>Powerful and Intuitive Interface:</strong> Provides a user-friendly design for a streamlined analysis experience.</li><li><strong>Improved Classification and Prediction</strong>: Classifies samples with SIMCA and builds predictive models using PLS.</li><li><strong>Noise and Outlier Reduction</strong>: Effectively reduces noise and detects outliers, ensuring accurate and reliable results.</li><li><strong>Expandable Plugin:</strong> Features Higher Order Structure (HOS) capabilities, powered by Mnova BioHOS.&nbsp;</li></ul><h4><strong>Features:</strong></h4><h5><strong>New MCR Tool for Peak Purity Assessment in LCMS Data</strong></h5><p>Introduces an MCR tool based on the MCR-ALS algorithm for peak purity assessment, providing comprehensive tables and plots to streamline LCMS data analysis and enhance decision-making. This tool is available with the Advanced Chemometrics or BioHOS plugins and requires an MSChrom plugin license.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Advanced_Chemometrics_New_MCR_Tool_for_Peak_Purity_Assessment_in_LCMS_Data_94993e71c3.webp" alt="Mestrelab Research: Mnova Advanced Chemometrics - New MCR Tool for Peak Purity Assessment in LCMS Data" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_Advanced_Chemometrics_New_MCR_Tool_for_Peak_Purity_Assessment_in_LCMS_Data_94993e71c3.webp 245w," sizes="100vw" width="1920" height="1200"></p><h5><strong>Enhanced Data Analysis with Partial Least Squares (PLS) Regression</strong></h5><p>Facilitates comprehensive analysis and accurate prediction of dependent variables from independent variables (such as binned spectra), while also providing intuitive graphical evaluation tools for deeper insights.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Advanced_Chemometrics_Enhanced_Data_Analysis_with_Partial_Least_Squares_PLS_Regression_7363eca35a.webp" alt="Mestrelab Research: Mnova Advanced Chemometrics - Enhanced Data Analysis with Partial Least Squares (PLS) Regression" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_Advanced_Chemometrics_Enhanced_Data_Analysis_with_Partial_Least_Squares_PLS_Regression_7363eca35a.webp 211w," sizes="100vw" width="1175" height="870"></p><h5><strong>Advanced Data Classification with SIMCA Modeling</strong></h5><p>Offers a powerful statistical method for supervised classification of data, allowing researchers to categorize and analyze complex datasets with precision.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Advanced_Chemometrics_Advanced_Data_Classification_with_SIMCA_Modeling_830f63d8a0.webp" alt="Mestrelab Research: Mnova Advanced Chemometrics - Advanced Data Classification with SIMCA Modeling" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_Advanced_Chemometrics_Advanced_Data_Classification_with_SIMCA_Modeling_830f63d8a0.webp 195w," sizes="100vw" width="1026" height="820"></p><h5><strong>Advanced PCA Analysis for In-Depth Data Insights</strong></h5><p>Provides features for comprehensive data exploration and visualization, including quantile plots (1D NMR), comparison tools, plot labels display, enhanced selection and interactivity in scores and loadings plots, and additional distance. calculation options in scores plots. These enhancements enable precise, interactive analysis for deeper data insights.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Advanced_Chemometrics_Advanced_PCA_Analysis_for_In_Depth_Data_Insights_32b2644333.webp" alt="Mestrelab Research: Mnova Advanced Chemometrics - Advanced PCA Analysis for In-Depth Data Insights" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_Advanced_Chemometrics_Advanced_PCA_Analysis_for_In_Depth_Data_Insights_32b2644333.webp 245w," sizes="100vw" width="1026" height="647"></p>

Mestrelab Mnova Verify software

Designed for synthetic and medicinal chemists, which automatically checks a proposed structure against a set of analytical data, LC-MS or GC-MS and/or 1D NMR and/or 2D NMR.

<h4><strong>Automatic confirmation of structure identity based on NMR and/or LC/GC-MS data</strong></h4><p>Designed for synthetic and medicinal chemists, which automatically checks a proposed structure against a set of analytical data, LC-MS or GC-MS and/or 1D NMR and/or 2D NMR.</p><h4><strong data-start="641" data-end="654">Benefits:</strong></h4><ul><li><strong>Solution coupling NMR </strong>(1H, 13C and HSQC) and <strong>MS techniques</strong> in a commercial off-the-shelf software.</li><li><strong>Helps non-expert users </strong>to take decisions while reducing the workload of the experts.</li><li><strong>Fully automatic analysis</strong> for singletons or batch data.</li><li><strong>Mnova Verify checks</strong> whether the proposed compound is correct!</li><li><strong>Flexibly accepts a variety of inputs</strong> and generate automatically fully customized reports.</li><li><strong>Straightforward results</strong> check that warns about inconsistencies.</li></ul><h4><strong>Features:</strong></h4><h5><strong>Powerful algorithm running behind the scenes</strong></h5><p><strong>This powerful algorithm integrates multiple modules to deliver:</strong></p><ul><li>Automated processing and analysis of 1D &amp; 2D NMR (¹H NMR, HSQC) and LC/GC-MS data.</li><li>Generation of theoretical data for proposed structures.</li><li>Prediction of NMR spectra (¹H, ¹³C, HSQC) and MS data (mass ion, isotopic cluster, fragmentation, MS/MS).</li><li>Comparison of experimental and theoretical data.</li><li>Results presentation using an innovative scoring system.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Verify_Powerful_algorithm_running_behind_the_scenes_be1dfb5e2f.webp" alt="Mestrelab Research: Mnova Verify - Powerful algorithm running behind the scenes" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_Verify_Powerful_algorithm_running_behind_the_scenes_be1dfb5e2f.webp 245w," sizes="100vw" width="936" height="427"></p><h5><strong>An easy and flexible scoring system</strong></h5><p>Evaluates analytical data to judge the compatibility of proposed structures:</p><ul><li>Provides a quality score (-1.0 to +1.0) for each structure, combining score and significance.</li><li>Displays detailed results for each test applied.</li><li>Ranks structures to quickly identify the best fit with experimental data.</li><li>Allows easy re-working of unclear results in Mnova.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Verify_An_easy_and_flexible_scoring_system_da1c07eb98.webp" alt="Mestrelab Research: Mnova Verify - An easy and flexible scoring system" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_Verify_An_easy_and_flexible_scoring_system_da1c07eb98.webp 245w," sizes="100vw" width="936" height="427"></p><h5><strong>Automated batch &amp; real-time operations</strong></h5><p>Provides QA for large data volumes like libraries or registration QC samples:</p><ul><li><strong>Batch Mode: </strong>Verifies libraries and identifies unsuitable samples for assay submission, generating an HTML report.</li><li><strong>Real-Time Analysis Mode: </strong>Performs unassisted verification of individual samples, providing immediate feedback on structure-data compatibility.</li><li>Requires Mnova v10 or higher (NMR, NMRPredict, and/or MS modules). Additional modules like Mnova DB or qNMR can also be used.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Verify_Automated_batch_and_real_time_operations_6fa9241b15.webp" alt="Mestrelab Research: Mnova Verify - Automated batch &amp; real-time operations" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_Verify_Automated_batch_and_real_time_operations_6fa9241b15.webp 245w," sizes="100vw" width="936" height="427"></p>

Mestrelab Mnova DB software

A professional database integrated within Mnova for efficiently shared storage of molecular structures, NMR, LC-MS, GC-MS, and other Mnova objects.

<h4><strong>Store, share and search your chemical and analytical data efficiently</strong></h4><p>A professional database integrated within Mnova for efficiently shared storage of molecular structures, NMR, LC-MS, GC-MS, and other Mnova objects.</p><p>Create new databases, save records with a couple of clicks, and run searches by structure, substructure, specific peak positions, multiplets, or mass peaks.</p><h4><strong data-start="641" data-end="654">Benefits:</strong></h4><ul><li><strong>Database enviroment for storing analytical data</strong> (NMR, LC/GC-MS, UV-Vis, IR, etc.) and chemical structures.</li><li><strong>Ranked queries by chemical struture and/or analytical data,</strong> enabling faster and more efficient data retrieval.</li><li><strong>Tools for managing and controlling your databases</strong>, with password protection for security.</li><li><strong>Quickly create new databases</strong> and save your analytical records in seconds, enhancing efficiency and productivity.</li><li><strong>Access and view reports in a variety of formats</strong>, including tables, records, well plates, and HTML views, for versatile data presentation.</li><li><strong>Manage user accounts with different privilege levels-administrator</strong>, power user, and standard user.</li></ul><h4><strong>Features:</strong></h4><h5><strong>Create a database and save your legacy data</strong></h5><ul><li>Companies and research institutes often have large volumes of analytical data spread across various sources, needing better management to make it shareable and searchable.</li><li>Once stored in the DB, chemists can easily access this data using Sample ID, Compound ID, peak, or Retention Time searches, especially for unknowns.</li><li>Mnova provides scripts to upload multiple NMR and/or LC/GC/MS datasets into a database.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_DB_Create_a_database_and_save_your_legacy_data_7e9ee2e6f7.webp" alt="Mestrelab Research: Mnova DB - Create a database and save your legacy data" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_DB_Create_a_database_and_save_your_legacy_data_7e9ee2e6f7.webp 245w," sizes="100vw" width="1380" height="801"></p><h5><strong>Save your data during the workflow</strong></h5><ul><li>Chemists can save their work to the Database, making it easily accessible to others later.</li><li>Mnova DB integrates with Mnova Suite, allowing you to save or search data seamlessly during your workflow.</li><li>When working with NMR or LC/GC/MS datasets in Mnova, you can save raw data, parameters, analysis results, annotations, and molecular structures to the database with a couple of clicks.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_DB_Save_your_data_during_the_workflow_169e99f805.webp" alt="Mestrelab Research: Mnova DB - Save your data during the workflow." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_DB_Save_your_data_during_the_workflow_169e99f805.webp 245w," sizes="100vw" width="1472" height="854"></p><h5><strong>Efficient sharing and searching of your analytical data</strong></h5><p>The basic search query can be the following:</p><ul><li>Structure or substructure</li><li>1D or 2D peak locations</li><li>1D multiplets</li><li>m/z values</li><li>Texts or numerics</li><li>Mnova DB allows you to combine any of the queries listed above, using logic and or operators, this is useful when you need to refine your search results iteratively. Mnova DB also save the results into a temporary database and continue to search to refine it.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_DB_Efficient_sharing_and_searching_of_your_analytical_data_8bde34ce47.webp" alt="Mestrelab Research: Mnova DB - Efficient sharing and searching of your analytical data" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_DB_Efficient_sharing_and_searching_of_your_analytical_data_8bde34ce47.webp 245w," sizes="100vw" width="1472" height="854"></p><h5><strong>Seamlessly deliver data to your organization</strong></h5><ul><li>We can automate the DB setup so data is automatically imported when acquired by your instruments.</li><li>Chemists will no longer need to browse through file folders to review or analyze data. They can retrieve it directly in Mnova using Sample ID, Sample Number, Compound ID, or structure searches.</li><li>This will save your team time and significantly improve productivity.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_DB_Seamlessly_deliver_data_to_your_organization_b4c354eeb3.webp" alt="Mestrelab Research: Mnova DB - Seamlessly deliver data to your organization" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mnova_DB_Seamlessly_deliver_data_to_your_organization_b4c354eeb3.webp 245w," sizes="100vw" width="1472" height="854"></p>

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