<p><strong>Scientists at IOCB Prague are uncovering new details of gene transcription. They have identified a previously unknown molecular mechanism by which the transcription of genetic information from deoxyribonucleic acid (DNA) into ribonucleic acid (RNA) can be initiated. The researchers focused on a specific class of molecules known as alarmones, which are found in cells across a wide range of organisms and whose levels often increase under conditions of cellular stress. The results were published in the prestigious scientific journal </strong><i><strong>Nature Chemical Biology</strong></i><strong>.</strong></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/UOCHB_Vyzkum_z_UOCHB_odhaluje_dosud_nepoznany_zpusob_prepisu_geneticke_informace_bc2bfffa6c.jpg" alt="IOCB Prague/Tomáš Belloň: Research from IOCB Prague reveals a previously unknown mechanism of genetic transcription: Dr. Hana Cahová, head of the Chemical Biology of Nucleic Acids research group." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_UOCHB_Vyzkum_z_UOCHB_odhaluje_dosud_nepoznany_zpusob_prepisu_geneticke_informace_bc2bfffa6c.jpg 234w," sizes="100vw" width="2000" height="1335"></p><div><p>Molecules of ribonucleic acid can carry a variety of chemical modifications at one end, known as caps. In eukaryotic organisms, including human cells, the best-known cap plays an important role in RNA stability and in regulating its subsequent fate. In recent years, however, it has become clear that alternative, non-canonical RNA caps also exist, although their formation and the mechanisms by which they are attached to RNA remain only partially understood. These include alarmone caps, formed by dinucleoside polyphosphate molecules, that protect cellular RNA at moments when the cell is under threat.</p><p>In their study,<strong> </strong><a target="_blank" rel="noopener noreferrer" href="https://cahova.group.uochb.cz/en"><strong>Dr. Hana Cahová</strong></a> and colleagues examined bacterial RNA polymerase and investigated how this enzyme can initiate transcription using dinucleoside polyphosphates (NpNs) instead of the standard RNA building blocks. For the first time, the scientists described, at the atomic level, how RNA bearing an alarmone cap can be generated directly at the initiation of gene transcription. They also observed that NpNs bind through a different type of base pairing than is typically observed.</p><p>The work was significantly shaped by <strong>Valentina Serianni from Hana Cahová’s team</strong>, who demonstrated the ability of dinucleoside polyphosphates to initiate gene transcription, and by <strong>Jana Škerlová</strong>, who focused on the structural analysis of RNA polymerase. Using cryogenic electron microscopy data, she showed how dinucleoside polyphosphate molecules bind within the active site of RNA polymerase – that is, the core of the enzyme where genetic information is transcribed. Together, their findings help to elucidate the processes that accompany the transcription of genetic information from DNA to RNA.</p><p>Hana Cahová adds: <i>“We’re describing something that truly occurs in cells and that we’re now able to observe directly at the level of individual molecules. This allows us to answer fundamental questions about cellular processes, such as how cells adapt to stress. RNA plays a central role in this, as it carries the cascade of information underlying any cellular response – for example, to threatening conditions caused by nutrient deprivation or temperature shock.”</i></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/UOCHB_Vyzkum_z_UOCHB_odhaluje_dosud_nepoznany_zpusob_prepisu_geneticke_informace_2_0fe88ff9e9.jpg" alt="IOCB Prague/Tomáš Belloň: Research from IOCB Prague reveals a previously unknown mechanism of genetic transcription: Dr. Tomáš Kouba, head of the Cryogenic Electron Microscopy core facility." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_UOCHB_Vyzkum_z_UOCHB_odhaluje_dosud_nepoznany_zpusob_prepisu_geneticke_informace_2_0fe88ff9e9.jpg 234w," sizes="100vw" width="2000" height="1335"></p><div><p>Cryogenic electron microscopy (cryo-EM) was central to the project. This part of the work was led by<strong> Dr. Tomáš Kouba</strong>, one of the authors of the study. <i>“Cryogenic electron microscopy allows us to freeze biological molecules in a state very close to their natural form and then determine their three-dimensional structure. This makes it possible to look directly into the active centers of enzymes and observe their function down to the atomic level,”</i> he explains.</p><p>Last year, IOCB Prague opened a new <a target="_blank" rel="noopener noreferrer" href="https://cryoem.group.uochb.cz/en"><strong>cryo-EM center</strong></a><strong> </strong>that is unique within the Czech research environment. State-of-the-art cryogenic electron microscopes are housed in a specially designed building and enable the study of biological processes with exceptional structural precision.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/UOCHB_Vyzkum_z_UOCHB_odhaluje_dosud_nepoznany_zpusob_prepisu_geneticke_informace_3_4d881e7a58.jpg" alt="IOCB Prague: Research from IOCB Prague reveals a previously unknown mechanism of genetic transcription: This work shows how NpnNs initiate bacterial transcription. Cryo-EM reveals how nucleobases pair with the template: one in canonical and one in reverse Watson–Crick mode, providing a structural basis for their function as non-canonical RNA caps." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_UOCHB_Vyzkum_z_UOCHB_odhaluje_dosud_nepoznany_zpusob_prepisu_geneticke_informace_3_4d881e7a58.jpg 245w," sizes="100vw" width="2000" height="1077"></p><blockquote><h4><strong>The Original article</strong></h4><h4><a target="_blank" rel="noopener noreferrer" href="https://www.nature.com/articles/s41589-025-02134-5"><strong>Molecular insight into 5′ RNA capping with Np<sub>n</sub>Ns by bacterial RNA polymerase</strong></a></h4><p>Valentina M. Serianni, Jana Škerlová, Anna Knopp Dubánková, Anton Škríba, Hana Šváchová, Tereza Vučková, Anatolij Filimoněnko, Milan Fábry, Pavlína Řezáčová, Tomáš Kouba &amp; Hana Cahova&nbsp;</p><p>Nat. Chem. Biol. 21 (2026)</p><p><a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1038/s41589-025-02134-5">https://doi.org/10.1038/s41589-025-02134-5</a></p><h6>licensed under <a target="_blank" rel="noopener noreferrer" href="https://creativecommons.org/licenses/by/4.0/"><strong>CC-BY 4.0</strong></a></h6></blockquote><h4><strong>Abstract</strong></h4><p>RNA capped with dinucleoside polyphosphates has been discovered in bacteria and eukaryotes only recently. The likely mechanism of this specific capping involves direct incorporation of dinucleoside polyphosphates by RNA polymerase as noncanonical initiating nucleotides. However, how these compounds bind into the active site of RNA polymerase during transcription initiation is unknown. Here, we explored transcription initiation in vitro, using a series of DNA templates in combination with dinucleoside polyphosphates and model RNA polymerase from <i>Thermus</i> <i>thermophilus</i>. We observed that the transcription start site can vary on the basis of the compatibility of the specific template and dinucleoside polyphosphate. Cryo-electron microscopy structures of transcription initiation complexes with dinucleoside polyphosphates revealed that both nucleobase moieties can pair with the DNA template. The first encoded nucleotide pairs in a canonical Watson–Crick manner, whereas the second nucleobase pairs noncanonically in a reverse Watson–Crick manner. Our work provides a structural explanation of how dinucleoside polyphosphates initiate RNA transcription.</p></div></div>

Research from IOCB Prague reveals a previously unknown mechanism of genetic transcription

<p><strong>In the week from February 9, the following webinars await you in the field of atomic and molecular spectroscopy and spectrometry</strong></p><blockquote><h4><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></h4><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>5 000 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Thermo Fisher Scientific: Process Raman – A Reliable and Versatile Tool for Downstream Process Monitoring and Control for mAb Production</strong></h5><ul><li>Tu, 10.2.2026 16:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5808">Registration</a></li></ul><p>The presentation highlights how process Raman spectroscopy offers several advantages over traditional in-line UV-Vis analysis for process monitoring and metabolite production control.</p><h5><strong>2. Bruker: Meet Compact-Q DEER Spectrometer – Your Gateway to Quantum Innovation</strong></h5><ul><li>Tu, 10.2.2026 17:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5757">Registration</a></li></ul><p>Discover how the Compact-Q DEER spectrometer enables high-fidelity qubit characterization and control, combining advanced microwave architecture, AWGs, and cryogen-free operation.</p><h5><strong>3. Agilent Technologies: Novel Advancements in Trace Level Determination and Long-Term Stability of Metals in TMAH and UPW Matrices</strong></h5><ul><li>Tu, 10.2.2026 21:30 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/3733">Registration</a></li></ul><p>Explore novel approaches for trace-level metal determination and long-term stability assessment in TMAH and ultrapure water matrices.</p><h5><strong>4. AZoM: From First to Best – Introducing the Litesizer DIF Series</strong></h5><ul><li>We, 11.2.2026 15:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5765">Registration</a></li></ul><p>Join this live webinar introducing the new Litesizer DIF series of laser diffraction particle size analyzers.</p><h5><strong>5. Anton Paar: Polymer Rheology – Rotational and Transient Measurements on a Polymer Melt</strong></h5><ul><li>We, 11.2.2026 18:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5786">Registration</a></li></ul><p>Learn how rotational and transient viscosity measurements on rotational rheometers reveal polymer melt flow behavior, from method setup and accessories to data interpretation.</p><h5><strong>6. Milestone: Practical Guidance to Improve the Journey from Sample to Heavy Metals Analysis for Environmental Labs</strong></h5><ul><li>Th, 12.2.2026 16:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/5803">Registration</a></li></ul><p>Improve heavy metals analysis in environmental laboratories with practical tips on reagents, filtration, cleaning, and workflow optimization to enhance data quality and efficiency.</p><h5><strong>7. Agilent Technologies: Moving from R&amp;D and Limited QC on a UV-Vis-NIR Instrument to Large-Scale QC Using an Autosampler</strong></h5><ul><li>Th, 12.2.2026 20:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/2104">Registration</a></li></ul><p>This presentation covers key aspects of adding and using an autosampler to maximize UV-Vis-NIR QC workflows when scaling from R&amp;D to routine quality control.</p>

Webinars LabRulezICPMS Week 07/2026

<p><strong>LA-ICP-MS imaging, particularly in TOF mode, provides rapid, high-resolution elemental maps of complex geological materials, but quantitative accuracy is often limited by heterogeneous mineralogy. This study introduces a workflow using UMAP for unsupervised dimensionality reduction combined with k-means clustering to segment mineral phases directly from per-pixel elemental data.</strong></p><p>Cluster compositions are matched to known minerals based on stoichiometry, allowing phase-specific normalization and reducing quantification errors by up to 60%. Validated on dawsonite-bearing sandstones, the approach enables consistent phase-resolved geochemical comparisons across depth profiles and establishes UMAP as a practical tool for accurate, interpretable multielement imaging.</p><blockquote><h4><strong>The original article</strong></h4><h4><a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.5c05398"><strong>Mineral Phase-Resolved Quantification in LA-ICP-MS Imaging</strong></a></h4><p>Barbara Umfahrer, Jakub Buday, Pavel Pořízka, Jozef Kaiser, Paolo S. Garofalo*, and Detlef Günther*</p><p>Anal. Chem. 2026, 98, 1, 581–589</p><p><a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1021/acs.analchem.5c05398">https://doi.org/10.1021/acs.analchem.5c05398</a></p><h6>licensed under <a target="_blank" rel="noopener noreferrer" href="https://creativecommons.org/licenses/by/4.0/"><strong>CC-BY 4.0</strong></a></h6></blockquote><p><strong>Selected sections from the article follow. Formats and hyperlinks were adapted from the original.</strong></p><p>Since its introduction in 1985, <a href="javascript:void(0);">(1)</a> Laser Ablation-Inductively Coupled Plasma-Mass Spectrometry (LA-ICP-MS) has matured into a routine technique for both qualitative and quantitative elemental analysis, finding use in diverse fields such as geology, <a href="javascript:void(0);">(2−4)</a> biology, <a href="javascript:void(0);">(5,6)</a> materials science, <a href="javascript:void(0);">(7)</a> and cultural heritage. <a href="javascript:void(0);">(8,9)</a> Especially in comparison to liquid analysis techniques, the method excels through minimal sample preparation, negligible sample destruction, and low limits of detection, which enable trace element analysis. However, besides the availability of standard reference materials, a longstanding challenge of quantitative LA-ICP-MS is the need for a suitable internal standard to account for variations in ablation rate and transport efficiency, as well as instrumental drift. <a href="javascript:void(0);">(10)</a> Developed for applications in geological matrices, this requirement was elegantly circumvented by Liu et al. <a href="javascript:void(0);">(11)</a> through 100 wt % normalization, which assumes that all detected elements form oxides summing up to 100 wt %. This approach was conceptually inspired by the summed-spectrum normalization calibration procedure introduced by Leach and Hieftje in 2000, which emphasized the use of total signal intensities for robust internal standardization. <a href="javascript:void(0);">(12)</a> The 100 wt % normalization strategy was subsequently extended to the bulk analysis of carbonates. <a href="javascript:void(0);">(13)</a></p><p>Concurrently, the advent of time-of-flight (TOF) mass analyzers and the development of fast-washout laser ablation cells <a href="javascript:void(0);">(14−16)</a> have transformed LA-ICP-MS into a powerful imaging tool, capable of generating spatial maps across a variety of sample matrices at high data acquisition rates. <a href="javascript:void(0);">(17−19)</a> Furthermore, in comparison to, e.g., X-ray fluorescence spectroscopy (XRF) or Scanning Electron Microscopy with Energy-Dispersive X-ray Spectroscopy (SEM-EDS), LA-ICP-MS offers a high depth resolution of approximately 0.2 μm on glass, enabling precise measurement of fine-scale structures not only laterally but also in depth. <a href="javascript:void(0);">(18)</a> However, as the volume and complexity of these elemental images have grown according to the progressive advancement of the method itself, now consisting of gigabytes of data produced within minutes, manual data interpretation has become increasingly impractical. To uncover meaningful details and patterns, researchers have applied multivariate methods such as Principal Component Analysis (PCA) and k-means clustering to reduce dimensionality and delineate distinct regions within the images. <a href="javascript:void(0);">(20−23)</a> The nonlinear dimensionality reduction technique Uniform Manifold Approximation and Projection (UMAP), <a href="javascript:void(0);">(24)</a> which supports data interpretation with its capability to capture and separate subtle local structures, has first been employed to LA-ICP-MS bulk analysis data in 2024, where it was used to classify pyrite samples and discriminate between Pb and Zn deposit types. <a href="javascript:void(0);">(25,26)</a> In combination with elemental imaging, UMAP has recently been applied to biological tissue data sets as an exploratory analysis tool, <a href="javascript:void(0);">(27)</a> further enhancing the ability to visualize and interpret complex elemental distributions.</p><p>Despite these advances, no existing approach combines the unsupervised segmentation of mineral phases by UMAP with phase-specific normalization. In this study, we introduce a UMAP-driven workflow that (1) automatically segments distinct mineralogical phases within fine-grained geological matrices and (2) applies phase-specific 100 wt % normalization (e.g., oxide <a href="javascript:void(0);">(11)</a> or carbonate <a href="javascript:void(0);">(13)</a>), thereby improving quantification accuracy and enabling phase-specific quantitative interpretation of mineral distributions in complex matrices.</p><h4><strong>Materials and Methods</strong></h4><h5><strong>LA-ICP-TOFMS Imaging</strong></h5><p>LA-ICP-TOFMS analyses were performed using a 193 nm ArF excimer laser (GeoLas C, Lambda Physik, Göttingen, Germany) coupled to an ICP-TOFMS instrument (icpTOF 2R, TOFWERK AG, Thun, Switzerland). Ablation was conducted in the modified parallel flow ablation cell (MPFAC) <a href="javascript:void(0);">(16,34)</a> under a He atmosphere (99.999%, Linde Gas Schweiz AG, Dagmersellen, Switzerland) with Ar (99.996%, Linde Gas Schweiz AG) used as the carrier gas. A piezoelectrically driven xyz translational stage (1 nm resolution, SmarAct GmbH, Oldenburg, Germany) enabled precise sample positioning. Laser, stage movement, and ICP-TOFMS data acquisition were synchronized using a custom-built imaging control system. <a href="javascript:void(0);">(19)</a> The system was optimized each day based on maximum sensitivity while ensuring a <sup>238</sup>U<sup>+</sup>/<sup>232</sup>Th<sup>+</sup> intensity ratio of 1.0 to 1.1 on NIST SRM 610 and a <sup>232</sup>Th<sup>16</sup>O<sup>+</sup>/<sup>232</sup>Th<sup>+</sup> rate of below 0.5%.</p><h5><strong>LIBS Imaging</strong></h5><p>The LIBS analyses were performed on a Firefly system (Lightigo, Czech Republic). The laser (1064 nm, 5 mJ, pulse duration ∼10 ns, diameter 6 mm, operating at 50 Hz) was focused on the sample with a singlet lens (focal length 50 mm) to a 30 μm spot. The spatial resolution of the acquired elemental maps, with a size of about 16 mm × 26 mm, was 20 μm. Plasma radiation is collected by a multifiber configuration with a collimator and an optical fiber (400 μm core diameter), which delivered the light to several Czerny–Turner spectrometers (resolution 0.25–0.4 nm). The spectral range of the spectrometers is 180–850 nm. The radiation is collected 1.5 μs after ablation, with a gate width of 15 μs.</p><p>Data processing was done with Python 3.11.8 in the Spyder environment and included background correction and per-pixel z-score normalization.</p><h4><strong>Results and Discussion</strong></h4><h5><strong>LIBS and XRD Measurements</strong></h5><p>To assess whether carbonate-based normalization <a href="javascript:void(0);">(13)</a> is warranted, first, large-scale LIBS elemental intensity maps of the samples across about a third of the thin sections were acquired. <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.5c05398#fig1">Figure 1</a> reveals the results for “Layer 2” of the Poggio del Gatto sandstone for selected elements. A complete mapping of all four thin sections can be found in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.analchem.5c05398/suppl_file/ac5c05398_si_001.pdf">Figures S3 and S6</a> in the Supporting Information. The maps reveal that C is strongly enriched in fracture veins as well as in finer-grained domains within the matrix and correlates with Ca, indicating carbonate minerals rather than oxides. Bulk XRD analysis identifies calcite alongside quartz, plagioclase, white mica, and kaolinite. These complementary observations confirm calcite as a major phase and thus justify the need for performing the 100 wt % normalization on a carbonate basis for pixels representing calcite.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Anal_Chem_2026_98_1_581_589_Figure_1_LIBS_elemental_intensity_maps_of_the_data_set_from_Layer_2_of_the_Poggio_del_Gatto_sandstone_mounted_on_a_microscope_slide_73ada1b7b8.jpg" alt="Anal. Chem. 2026, 98, 1, 581–589: Figure 1. LIBS elemental intensity maps of the data set from “Layer 2” of the Poggio del Gatto sandstone mounted on a microscope slide, depicting calcite veins and fine-grained structures within the matrix, underlining the need for carbonate-based normalization for specific pixels. Emission lines for evaluation are shown in the corresponding subfigure title. The epoxy used to fix the thin section on the slide is visible along the margin." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Anal_Chem_2026_98_1_581_589_Figure_1_LIBS_elemental_intensity_maps_of_the_data_set_from_Layer_2_of_the_Poggio_del_Gatto_sandstone_mounted_on_a_microscope_slide_73ada1b7b8.jpg 245w," sizes="100vw" width="2088" height="414"></p><h5><strong>Renormalization Based on Carbonates</strong></h5><p>Applying an oxide-based normalization to carbonate samples will introduce composition-dependent biases that cannot immediately be generalized as a singular numerical value. The difference between the molecular masses of carbonate CO<sub>3</sub><sup>2–</sup> and its oxide equivalent O<sup>2–</sup> yields an intrinsic bias on the order of a factor of about two, depending on the stoichiometry. Once this data is renormalized to a total of 100 wt %, the magnitude of the error becomes highly dependent on the specific elemental composition of the sample. An exemplary calculation illustrating this effect for a representative calcite pixel is provided in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.analchem.5c05398/suppl_file/ac5c05398_si_001.pdf">Table S2</a>, yielding a relative error of 79%. In practice, this error varies across the image according to the local phase composition. <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.5c05398#fig6">Figure 6</a> illustrates the impact of normalization approaches for layer 2 of the samples as well as the spatial distribution of the resulting relative error. The figure presents Ca and Si elemental maps in two rows, while the first three columns compare different normalization strategies: normalization based on all oxides, normalization based on all carbonates, and a pixel-wise normalization guided by mineral phase identification, as outlined in the workflow proposed in this study. The final column displays the relative error between the bulk oxide- or carbonate-based normalization and the pixel-wise, phase-informed normalization.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Anal_Chem_2026_98_1_581_589_Figure_6_Comparison_of_normalization_strategies_for_Ca_and_Si_LA_ICP_TOFMS_elemental_maps_in_Layer_2_ce3a0c1a5c.jpg" alt="Anal. Chem. 2026, 98, 1, 581–589: Figure 6. Comparison of normalization strategies for Ca and Si LA-ICP-TOFMS elemental maps in “Layer 2” of the Poggio del Gatto sandstone. Rows show Ca (top) and Si (bottom); columns compare (1) oxide-based normalization, (2) carbonate-based normalization, (3) pixel-wise, phase-informed normalization (this study), and (4) relative error between the first two and the phase-informed approach." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Anal_Chem_2026_98_1_581_589_Figure_6_Comparison_of_normalization_strategies_for_Ca_and_Si_LA_ICP_TOFMS_elemental_maps_in_Layer_2_ce3a0c1a5c.jpg 202w," sizes="100vw" width="2088" height="1622"></p><p>For Ca (in this matrix primarily associated with calcite, a dominant carbonate phase in our samples), the relative error depicted quantifies the effect of applying oxide-based normalization across the entire image. This results in a systematic overestimation of the Ca concentration by approximately 60%. Conversely, for Si─in this matrix found mainly in quartz and various plagioclase phases─the error is shown for applying carbonate-based normalization across an oxidic matrix. In such cases, the Si concentrations are underestimated by roughly 10% to 40%, depending on the mineral phase.</p><p>These findings highlight that using a single normalization scheme across heterogeneous samples introduces substantial quantification errors. To mitigate this, the pixel-wise phase segmentation enabled by the proposed UMAP-based workflow offers a significant advantage, especially in fine-grained matrices. In short, phase-aware, pixel-wise normalization combines the strengths of both normalization approaches and proves to be highly beneficial.</p><h4><strong>Conclusion</strong></h4><p>This study demonstrates that phase-specific normalization, guided by unsupervised phase segmentation of LA-ICP-MS images, can substantially improve the accuracy of elemental quantification in fine-grained geological matrices. Rather than relying on a single global assumption (e.g., all oxides or all carbonates), the workflow adapts normalization to the actual mineralogy, minimizing systematic errors and enabling phase-resolved geochemical interpretation.</p><p>The segmentation step, based on UMAP embedding and <i>k</i>-means clustering, is fully unsupervised. However, the subsequent matching of clusters to specific minerals still relies on a limited set of preidentified stoichiometries and is therefore not yet fully unsupervised. Expansion to larger stoichiometric databases could help overcome this limitation and move toward automated mineral classification. A key challenge remains the similarity of cation ratios in certain mineral groups, which may still require complementary data to ensure robust assignments.</p><p>Overall, beyond the specific case of the Poggio del Gatto sandstone presented in this study, this work provides a framework for quantitative elemental imaging of complex geological samples and is readily transferable to other contexts that require spatially resolved composition-aware normalization. This contribution adds a practical implementation to a growing literature that already uses multivariate statistics to unlock the immense information depth of LA-ICP-TOFMS.</p>

Mineral Phase-Resolved Quantification in LA-ICP-MS Imaging

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The Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences (IOCB Prague) is a leading scientific institution in the Czech Republic, recognized internationally. Its primary mission is basic research in the fields of chemical biology and medicinal chemistry, organic and material oriented chemistry, chemistry of natural compounds, biochemistry and molecular biology, physical chemistry, theoretical chemistry, and analytical chemistry. 

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KnowItAll by Wiley offers a comprehensive solution for identifying, analyzing, and managing analytical data, enhancing spectral analysis speed and overall lab efficiency.

<p class="cke-user_style-important"><strong>Solutions for IR, MS, NMR, Raman, &amp; UV-Vis</strong></p><blockquote><p><strong>More information on the Wiley Science Solutions website: </strong><a target="_blank" rel="noopener noreferrer" href="https://sciencesolutions.wiley.com/knowitall-analytical-edition-software/"><strong>KnowItAll Analytical Edition Software</strong></a></p></blockquote><h5><strong data-start="4" data-end="56">Accelerate Spectral Analysis &amp; Boost Efficiency!</strong></h5><p data-start="60" data-end="206"><strong data-start="60" data-end="73">KnowItAll</strong> by <strong data-start="77" data-end="86">Wiley</strong> is an <strong data-start="93" data-end="107" data-is-only-node="">all-in-one</strong> solution for <strong data-start="121" data-end="161">identifying, analyzing, and managing</strong> spectral data, streamlining lab workflows.</p><ul data-start="208" data-end="581" data-is-only-node="" data-is-last-node=""><li data-start="208" data-end="328"><strong data-start="210" data-end="237">User-friendly interface</strong> with tools for <strong data-start="253" data-end="326">processing, searching, mixture analysis, deconvolution, and reporting</strong></li><li data-start="329" data-end="406"><strong data-start="331" data-end="365">Patented spectral intelligence</strong> for automated, expert-driven workflows</li><li data-start="407" data-end="481"><strong data-start="409" data-end="458">Supports multiple techniques &amp; vendor formats</strong> for full flexibility</li><li data-start="482" data-end="581" data-is-last-node=""><strong data-start="484" data-end="543">Integrated with Wiley’s high-quality spectral databases</strong> for <strong data-start="548" data-end="581" data-is-last-node="">faster, more accurate results</strong></li></ul><figure class="image"><img style="aspect-ratio:1922/1036;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Wiley_Wiley_Know_It_All_Analytical_Edition_Software_cover_a703599ad2/Wiley-Wiley-KnowItAll-Analytical-Edition-Software-cover.jpg" alt="Wiley: Wiley KnowItAll Analytical Edition Software" width="1922" height="1036"></figure><h4><strong>Streamline Your Analysis with KnowItAll</strong></h4><p data-start="51" data-end="223"><strong data-start="51" data-end="64">KnowItAll</strong> integrates all essential tools and data into a <strong data-start="112" data-end="146">single, user-friendly platform</strong>, saving you time, optimizing workflows, and enhancing data interpretation.</p><h4><strong data-start="229" data-end="254">Compatible Data Types</strong></h4><p data-start="257" data-end="406">A <strong data-start="259" data-end="286">vendor-neutral solution</strong>, KnowItAll supports <strong data-start="307" data-end="334">130+ instrument formats</strong>, ensuring seamless workflow continuity even as lab equipment evolves.</p><ul data-start="408" data-end="518"><li data-start="408" data-end="473"><strong data-start="410" data-end="439">Spectroscopic Techniques:</strong> IR, MS, NIR, NMR, Raman, UV-Vis</li><li data-start="474" data-end="518"><strong data-start="476" data-end="516">Chromatograms &amp; Molecular Structures</strong></li></ul><h3 data-start="520" data-end="542"><strong data-start="524" data-end="540">Key Features</strong></h3><p data-start="543" data-end="699">Eliminate the need for multiple software packages—KnowItAll <strong data-start="603" data-end="657">combines powerful tools in one intuitive interface</strong> for seamless transitions between tasks.</p><ul data-start="701" data-end="998"><li data-start="701" data-end="750"><strong data-start="703" data-end="748">Comprehensive Spectrum &amp; Mixture Analysis</strong></li><li data-start="751" data-end="799"><strong data-start="753" data-end="797">Database Management &amp; Advanced Searching</strong></li><li data-start="800" data-end="863"><strong data-start="802" data-end="848">Structure Drawing &amp; Professional Reporting</strong> (ChemWindow)</li><li data-start="864" data-end="907"><strong data-start="866" data-end="905">Spectrum Processing &amp; Deconvolution</strong></li><li data-start="908" data-end="956"><strong data-start="910" data-end="954">Extensive Spectral Library Subscriptions</strong></li><li data-start="957" data-end="998"><strong data-start="959" data-end="996">Quantitative Analysis Module</strong></li><li data-start="1030" data-end="1072"><strong data-start="1032" data-end="1070">IR/Raman functional group analysis</strong></li><li data-start="1073" data-end="1128"><strong data-start="1075" data-end="1107">MS reverse &amp; adaptive search</strong> <em data-start="1108" data-end="1126"><i>(patente)</i></em></li><li data-start="1129" data-end="1174"><strong data-start="1131" data-end="1172">Automated MS deconvolution &amp; analysis</strong></li><li data-start="1175" data-end="1212"><strong data-start="1177" data-end="1210">NMR chemical shift prediction</strong></li></ul><h4><strong>What’s Included?</strong></h4><h5><strong data-start="1245" data-end="1261">Data Toolbox</strong></h5><ul data-start="1264" data-end="1540"><li data-start="1264" data-end="1318"><strong data-start="1266" data-end="1280">ID Expert™</strong> – One-click spectral identification</li><li data-start="1319" data-end="1411"><strong data-start="1321" data-end="1334">SearchIt™</strong> – Advanced database search with mixture analysis &amp; multi-technique support</li><li data-start="1412" data-end="1470"><strong data-start="1414" data-end="1425">MineIt™</strong> – Spectral database creation &amp; data mining</li><li data-start="1471" data-end="1540"><strong data-start="1473" data-end="1487">QC Expert™</strong> – Quality control for IR, Raman, and Chromatograms</li></ul><h5><strong data-start="1547" data-end="1578">Spectral Processing Toolbox</strong></h5><ul data-start="1581" data-end="1716"><li data-start="1581" data-end="1652"><strong data-start="1583" data-end="1597">MS Expert™</strong> – GC-MS deconvolution with automated database search</li><li data-start="1653" data-end="1716"><strong data-start="1655" data-end="1669">ProcessIt™</strong> – Spectrum processing for IR, MS, NMR, Raman</li></ul><h5><strong data-start="1723" data-end="1752">Spectral Analysis Toolbox</strong></h5><ul data-start="1755" data-end="1882"><li data-start="1755" data-end="1827"><strong data-start="1757" data-end="1771">AnalyzeIt™</strong> – Functional group analysis for IR, Raman, &amp; polymers</li><li data-start="1828" data-end="1882"><strong data-start="1830" data-end="1848">PredictIt™ NMR</strong> – NMR chemical shift prediction</li></ul><h5><strong data-start="1889" data-end="1907">Basics Toolbox</strong></h5><ul data-start="1910" data-end="2115"><li data-start="1910" data-end="1965"><strong data-start="1912" data-end="1926">ChemWindow</strong> – Full-featured 2D structure drawing</li><li data-start="1966" data-end="2049"><strong data-start="1968" data-end="1981">ReportIt™</strong> – Professional reporting for structures, spectra, &amp; chromatograms</li><li data-start="2050" data-end="2115"><strong data-start="2052" data-end="2065">BrowseIt™</strong> – Web portal with KnowItAll resources &amp; updates</li><li data-start="2050" data-end="2115"><strong data-start="2121" data-end="2153">Optional Quantitation Module - </strong>Enhance <strong data-start="2164" data-end="2200">GC-MS, IR, Raman, UV-Vis, and GC</strong> workflows with integrated quantification.</li></ul><h5><strong data-start="2250" data-end="2292">Access High-Quality Spectral Libraries</strong></h5><ul><li><p data-start="2295" data-end="2423" data-is-last-node="" data-is-only-node="">Subscribe to <strong data-start="2308" data-end="2386">Wiley’s industry-leading IR, MS, NMR, Raman, and UV-Vis spectral databases</strong> for <strong data-start="2391" data-end="2402">optimal</strong> analytical accuracy.</p></li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Wiley_Wiley_Know_It_All_Analytical_Edition_Software_Know_It_All_Spectral_Libraries_2fdbf59fd0/Wiley-Wiley-KnowItAll-Analytical-Edition-Software-KnowItAll-Spectral-Libraries.jpg" alt="Wiley: Wiley KnowItAll Analytical Edition Software - KnowItAll Spectral Libraries" width="474" height="343"></p><h4><strong>System Recommendations &amp; Compatibility</strong></h4><ul><li><a target="_blank" rel="noopener noreferrer" href="https://sciencesolutions.wiley.com/system-recommendations/">See system recommendations here.</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://sciencesolutions.wiley.com/knowitall-supported-file-formats/">View file formats supported.</a></li></ul><p>*Subscription required to KnowItAll Spectral Libraries.</p>

Wiley KnowItAll Quantitation

Streamline quantitation with Wiley KnowItAll—an integrated, vendor-neutral tool for GC-MS, IR, UV-Vis & more. Simplifies workflows and eliminates the need for multiple software tools.

<h4><strong>Consolidate your software &amp; analytical workflow using KnowItAll’s integrated quantitation application</strong></h4><p>Wiley’s KnowItAll now goes beyond substance identification to include <strong>quantitative analysis</strong> with an integrated, vendor-neutral tool, streamlining workflows and eliminating the need to juggle multiple software packages.</p><p>The new <strong>Quantitation tool</strong> supports <strong>GC-MS, IR, Raman, UV-Vis, and GC</strong> data and offers intuitive, step-by-step processes for <strong>external/internal calibration</strong> and <strong>standard addition</strong>. By working within the familiar KnowItAll interface, it reduces training time and minimizes errors from manual tools like Excel.</p><p>Available as an option in KnowItAll and included in <strong>Campus-Wide subscriptions</strong>, the tool is also <strong>VPAT 508 accessible</strong>.</p>

Mestrelab Mnova Gears software

This comprehensive software suite, designed for building automation workflows, caters to your analytical data needs, spanning NMR, LC/GC-MS, and more.

<h3><strong>Mnova Gears | Real-Time &amp; Batch processes</strong></h3><h4><strong>Automation Workflows for All Your Analytical Data Processes</strong></h4><p>Are you tired of the monotony of routine data processing? <strong>Mnova Gears</strong> (also known as <strong>Mgears</strong>) is here to free up your time for innovation and more engaging tasks. This comprehensive software suite, designed for building <strong>automation workflows</strong>, caters to your analytical data needs, spanning <strong>NMR</strong>, <strong>LC/GC-MS</strong>, and <strong>more</strong>. Simply set your analysis samples and SOPs, launch the process, and let Mnova Gears handle the rest. From data retrieval to processing and analysis, Mnova Gears effortlessly applies the methods and formulas you provide, presenting the results in comprehensive reports.</p><p>Experience the flexibility, seamless integration with your existing architecture, and the customizable nature of Mnova Gears. Like Mnova, it remains <strong>vendor-neutral</strong>, adapting to your unique requirements. Elevate your analytical data processes—automate with Mnova Gears!</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Gears_Design_your_data_workflows_and_let_Mgears_do_the_rest_5771003702.jpg" alt="Mestrelab Research: Mnova Gears - Design your data workflows and let Mgears do the rest!"></p><blockquote><h4><a target="_blank" rel="noopener noreferrer" href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwsl4"><strong>Visit Mestrelab Research Mnova Gears product page to learn more!</strong></a></h4></blockquote><h4><strong>What’s new in Mnova Gears 2.5?</strong></h4><p><strong>Mnova Gears 2.5 has been released with Mnova 15 introducing a range of new capabilities:</strong></p><ul><li>New file copy option that copies the input files to the output folder without the need to open, process, or analyze them.</li><li>Ability to add chromatogram blind regions.</li><li>Improved data selection and auto-detection.</li><li>Capability to manage input data organized in multiple subfolders and generate sorted reports for each subfolder.</li><li>Heat map data visualization.</li><li>And other improvements that you can check in the complete changelog.</li></ul><p><strong>Upgrade to Mgears 2.5 now to explore these features and to unlock the full potential of data automation.</strong></p><p>Also be sure you check our newest Mgears brick designed for <a target="_blank" rel="noopener noreferrer" href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwskt"><strong>Affinity Selection Mass Spectrometry</strong></a> analyses.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Gears_Increase_your_efficiency_using_automated_analysis_workflows_c9d3fb13e6.jpg" alt="Mestrelab Research: Mnova Gears - Increase your efficiency using automated analysis workflows!"></p><h3><strong>Mnova Gears products and how they relate to one another!</strong></h3><h4><a target="_blank" rel="noopener noreferrer" href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwsl4"><strong>Mnova Gears</strong></a></h4><ul><li>Automation of multiple sample analysis</li><li>Batch and real time mode to generate documents for analysis</li></ul><h4><a target="_blank" rel="noopener noreferrer" href="http://www2.mestrelab.com/l/271522/2020-10-22/25htxg"><strong>Mnova MyGears</strong></a></h4><ul><li>Automation of single sample analysis</li><li>Automation workflows on an open Mnova document</li></ul><h4><a target="_blank" rel="noopener noreferrer" href="http://www2.mestrelab.com/l/271522/2024-04-10/3p2gsd"><strong>Mnova Gears Bricks</strong></a></h4><ul><li>Build automation workflows using the following Gears bricks</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Gears_1_b99a72ab8c.jpg" alt="Mestrelab Research: Mnova Gears products and how they relate to one another."></p><blockquote><h4><strong>Want to run a 45-day FREE trial?</strong></h4><h4><a target="_blank" rel="noopener noreferrer" href="http://www2.mestrelab.com/l/271522/2024-04-10/3p2gsh"><strong>CONTACT AN EXPERT</strong></a></h4></blockquote><h3><strong>Intuitive 5-Step workflow!</strong></h3><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Gears_Intuitive_5_Step_workflow_9191e59a96.jpg" alt="Mestrelab Research: Mnova Gears - Intuitive 5-Step workflow."></p><h4><strong>Mnova Gears Benefits</strong></h4><ul><li><strong>Automate</strong> routine <strong>processes and workflows</strong>, saving valuable specialist time.</li><li>Create and manage <strong>end-to-end workflows</strong> seamlessly within a single tool.</li><li>Streamline <strong>multiple analytical workflows</strong> on a common, user-friendly platform.</li><li><strong>Customize workflows</strong> by selecting components tailored to specific needs.</li><li>Enjoy <strong>flexibility and configurability</strong>, allowing seamless integration with existing infrastructure.</li><li>Collaborate with <strong>different systems in an unified environment</strong> due to vendor independence.</li><li>Leverage the familiarity with the <strong>Mnova interface</strong> to deploy and adopt <strong>automation</strong> solutions by your team <strong>without an extensive learning curve</strong>.</li><li>Benefit from <strong>expedited product support and development</strong>, consolidating all your automation analyses in one software suite.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Gears_Mnova_Gears_Benefits_3186347cb7.jpg" alt="Mestrelab Research: Mnova Gears - Mnova Gears Benefits"></p><h4><strong>Mnova Gears Features</strong></h4><h5><strong>Powerful Automation Capabilities for Comprehensive Data Tasks</strong></h5><ul><li>A user-friendly platform equipped with all essential controls for customizing data processes, covering input data, processing and analysis methods, design, and output generation.</li><li>A wide array of default features and options is available to maximize adaptation to customer needs.</li><li>Acceptance of templates and scripts for further customization; you can even construct your own automation bricks using scripting.</li><li>Details of your customization are stored in a settings file, easily shareable and importable.</li></ul><h5><strong>Automatic Reporting and Archiving</strong></h5><ul><li>Diverse output formats, including CSV, PDF, HTML, JSON, and Mnova formats.</li><li>Seamless adaptation to data organization standards by specifying requirements for correct data archiving (in a folder, database, ELN, etc.).</li><li>Easy workflows to automatically update historic data to new standards, ensuring consistency across years and sites.</li><li>Continuous support and updates: Contact the support team for specific import/export format requests.</li></ul><h5><strong>A User-Friendly Result Viewer with Graphical Dashboards for Rapid and Easy Data Review</strong></h5><ul><li>Effortless exploration of results with the Mgears Results Viewer, featuring graphical dashboards.</li><li>At-a-glance and by-exception reviews for quick and effective data analysis.</li><li>Smooth navigation through sample lists or well plates, facilitating the review of data and analyzed spectra.</li><li>Identification of samples not meeting specifications using graphics and warning flags, saving time on extensive scrutiny.</li><li>Swift recalculations and result updates.</li></ul><h4><strong>Multi-Technique and Multi-Application Analytical Workflows</strong></h4><ul><li>Multiple techniques supported: NMR, LC-MS, GC-MS, Chromatography, etc.</li><li>Mnova Gears has already proven its prowess with a broad range of applications spanning from discovery, R&amp;D, to manufacturing and quality control.</li><li>Available applications include structure verification, purity determination, mixture analysis, chemical reaction optimization, and affinity selection mass spectrometry analysis. Explore the <a target="_blank" rel="noopener noreferrer" href="http://www2.mestrelab.com/l/271522/2024-04-10/3p2gsd"><strong>full list of applications</strong></a> for comprehensive coverage.</li></ul><h3><strong>Markets</strong></h3><h5><strong>Academic, Government &amp; Industrial</strong></h5><h4><strong>PRACTICAL APPLICATIONS</strong></h4><ul><li>Quality Control (NMR, Mass Spectrometry, etc)</li><li>Natural Product Dereplication by NMR</li><li>Reaction Monitoring by NMR</li><li>Quantitative NMR</li><li>Targeted mixtures analysis by NMR</li><li>Multi-technique reporting</li><li>Protein-ligand Interaction</li><li>Product ID confirmation</li><li>Structure verification</li><li>DNA Profiling by LCMS</li><li>Ligand-based drug screenings</li><li>Reaction Optimization (HTE)</li><li>Determination of solubility, lipophilicity</li><li>System Suitability testing (NMR, LCMS)</li><li>Compound separation and purification workflows</li></ul>

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>

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