EU Regulation 396/2005: Pesticide Residue Testing and the Critical Role of QuEChERS Evaporation in Food Safety

<div><div><p><strong>Researchers led by </strong><a target="_blank" rel="noopener noreferrer" href="https://kudova.group.uochb.cz/en"><strong>Eva Kudová</strong></a><strong> from IOCB Prague and Jitka Viktorová from UCT Prague have identified new androstane-based steroid derivatives that can significantly improve the effectiveness of existing antibiotics against multidrug-resistant </strong><i><strong>Staphylococcus aureus</strong></i><strong>.</strong></p></div></div><div><p>The team screened dozens of natural steroidal hormones and synthetic derivatives to see whether they could block bacterial efflux pumps – mechanisms that bacteria use to eject antibiotics and survive treatment. Two compounds emerged as particularly promising: they inhibited efflux pumps and lowered the effective doses of antibiotics such as ciprofloxacin and erythromycin.</p><p>Further analysis showed that one of the compounds also suppressed genes linked to bacterial virulence. Another key finding is that the most active molecules are non-toxic to human immune cells and showed no detectable endocrine activity, suggesting a favorable safety profile.</p><p>These findings support the idea that rationally designed steroid-based molecules could act as antibiotic adjuvants, helping existing drugs overcome bacterial resistance.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/IOCB_Prague_Steroidal_hormones_and_neurosteroids_novel_therapeutic_strategies_in_bacterial_infections_8e5d2a7b48.jpg" alt="IOCB Prague: Steroidal hormones and neurosteroids – novel therapeutic strategies in bacterial infections" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_IOCB_Prague_Steroidal_hormones_and_neurosteroids_novel_therapeutic_strategies_in_bacterial_infections_8e5d2a7b48.jpg 222w," sizes="100vw" width="1258" height="886"></p><blockquote><h4><strong>Original Article</strong></h4><h4><a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0223523426001613?via%3Dihub"><strong>Steroidal hormones and neurosteroids - novel therapeutic strategies in bacterial infections: Design, synthesis, and biological evaluation</strong></a></h4><p>Daniela Brdová, Bára Křížkovská, Jan Špaček, Zdeněk Míchal, Eva Jablonská, Ondřej Strnad, Hana Chodounská, Eszter Szánti-Pintér, Marina Morozovová, Václav Hanžl, Jan Tkadlec, Martijn Riool, Jan Lipov, Jitka Viktorová, Eva Kudová&nbsp;</p><p><i><strong>Eur. J. Med. Chem., 2026, 308, 118716</strong></i></p><p><a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1016/j.ejmech.2026.118716">https://doi.org/10.1016/j.ejmech.2026.118716</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>The global rise of antibiotic resistance necessitates novel therapeutic strategies for infectious diseases. Inhibition of bacterial efflux pumps, which contribute to multidrug resistance, represents a promising approach to restore or even increase the efficacy of existing antibiotics. Using fluorescence-based ethidium bromide accumulation, broth microdilution, and checkerboard assays, we evaluated 26 endogenous steroidal hormones and neurosteroids, along with 30 synthetic derivatives, for their ability to enhance antibiotic susceptibility in multidrug-resistant <i>Staphylococcus aureus</i>. Structure-activity relationship analysis identified compounds <strong>13</strong> and <strong>16</strong> as lead candidates, exhibiting strong efflux pump inhibition and marked reductions in the minimum inhibitory concentrations of ciprofloxacin and erythromycin. Both compounds showed additive effects in checkerboard assays. Modifications at C-3 (polar substitution) and C-17 (3α,5β-stereochemistry and nonpolar substitution) were essential for potent efflux inhibition and sensitization, although these modifications were not additive when combined. Transcriptome analysis further revealed that compound <strong>13</strong> significantly downregulated <i>S. aureus</i> virulence-associated genes when administered alone or in combination with antibiotics. Cytotoxicity assessment in human peripheral blood mononuclear cells and receptor transactivation assays for estrogen, androgen, and progesterone receptors indicated that the most active derivatives were non-toxic and lacked detectable endocrine activity, suggesting a favorable safety profile. Overall, these findings support the concept that rationally designed andostane-based steroidal scaffolds can function as competitive bacterial efflux pump inhibitors and serve as potential antibiotic adjuvants to mitigate efflux-mediated resistance.</p><h4><strong>Instrumentation</strong></h4><h5><strong>Structural characterization</strong></h5><ul><li><strong>AVANCE III 400 MHz NMR spectrometer</strong> (Bruker)</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=3&amp;search=LTQ+Orbitrap+XL"><strong>LTQ Orbitrap XL HRMS</strong></a> (Thermo Fisher Scientific, ESI)</li></ul></div>

Steroidal hormones and neurosteroids – novel therapeutic strategies in bacterial infections

<p><strong>Metformin is currently the first-line oral drug of choice for the treatment of type 2 diabetes. It reduces glucose production in the liver, improves tissue sensitivity to insulin, and does not cause weight gain or hypoglycemia, which sets it apart from some other antidiabetic drugs. Moreover, its long-term beneficial effects on the risk of cardiovascular complications and mortality in people with type 2 diabetes have been well established. Researchers from the Institute of Physiology CAS (IPHYS) have identified a new group of blood metabolites that could help physicians objectively monitor whether patients with type 2 diabetes are taking their metformin as prescribed.</strong></p><h4><strong>New biomarkers for metformin use</strong></h4><p>A team led by Tomáš Čajka from the Laboratory of Translational Metabolism at IPHYS analyzed plasma samples from <strong>637 patients with type 2 diabetes treated with metformin</strong> and <strong>143 non-diabetic controls</strong> using advanced metabolomics and lipidomics. Among 614 detected metabolites, they identified five from the group of <strong>N-lactoyl-amino acids </strong>(e.g. N‑lactoyl-phenylalanine), which had previously been seen as unknown signals due to missing reference spectra in databases. The levels of these metabolites in the blood closely reflected the plasma concentrations of metformin. In patients with the highest metformin exposure, the concentrations of these metabolites were up to 7.2 times higher than in controls.</p><h4><strong>A sensitive “fingerprint” of the drug’s effect</strong></h4><p>N-Lactoyl-amino acids are formed in cells by combining lactate and amino acids, thus reflecting the metformin-induced changes in cellular energy metabolism. “<i>Importantly, even though they occur in plasma only at nanomolar concentrations, they reliably distinguish patients who take metformin regularly from those who take it irregularly or not at all</i>,” emphasizes T. Čajka.</p><h4><strong>Metabolomics in practice and international collaboration</strong></h4><p>The study also provides a detailed description of broader metabolic changes in type 2 diabetes, including increases in lactate, organic acids, and branched-chain amino acids, as well as extensive remodelling of the lipid profile. In addition to T. Čajka’s team, collaborators from the Institute for <strong>Clinical and Experimental Medicine in Prague</strong> and the <strong>West Coast Metabolomics Center</strong> (University of California, Davis) also participated in the study.</p><p>The results demonstrate that advanced metabolomics approaches developed at IPHYS within the <strong>CarDia project</strong> can find highly practical applications both in clinical studies and in personalized monitoring of treatment in patients with diabetes.</p><blockquote><h4><strong>The original article</strong></h4><h4><a target="_blank" rel="noopener noreferrer" href="https://ascpt.onlinelibrary.wiley.com/doi/10.1002/cpt.70205"><strong>Untargeted Metabolomics Identifies N-Lactoyl-Amino Acids as Dose-Responsive Plasma Biomarkers of Metformin Adherence in Type 2 Diabetes</strong></a></h4><p>Tomas Cajka, Jiri Hricko, Lucie Rudl Kulhava, Michaela Paucova, Michaela Novakova, Veronika Hola, Stanislava Rakusanova, Oliver Fiehn, Vojtech Skop, Ivana Lankova, Iva Miskova, Terezie Pelikanova, Martin Haluzik</p><p>Clin Pharmacol Ther, 119: 1057-1069</p><p><a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1002/cpt.70205">https://doi.org/10.1002/cpt.70205</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>Metformin is the most widely prescribed antidiabetic drug, yet adherence remains difficult to objectively assess. Using untargeted metabolomics and lipidomics, we analyzed plasma from 637 patients with type 2 diabetes (T2D) with confirmed metformin use and 143 nondiabetic controls, annotating 614 metabolites. Patients were stratified by plasma metformin into sub-therapeutic, therapeutic, and supra-therapeutic groups, and associations were evaluated by multiple linear regression and composite metabolite ranking. Five previously unannotated features were structurally identified as N-lactoyl-amino acids, whose levels correlated strongly with plasma metformin (ρ = 0.42–0.55, P &lt; 0.0001) and increased up to 7.2-fold in the supra-therapeutic group (&gt; 2000 ng/mL). While N-lactoyl-amino acids were consistently detected in the nanomolar range, they still displayed robust and dose-dependent associations with metformin. Broader metabolic changes in T2D included elevated lactate, organic acids, and branched-chain amino acids, together with reduced urea cycle metabolites. Lipidomics showed increases in saturated triacylglycerols and diacylglycerols and decreases in cholesteryl esters, sphingomyelins, and phospholipids. These findings establish N-lactoyl-amino acids as robust, dose-responsive plasma biomarkers of metformin exposure. Despite being up to four orders of magnitude less abundant than their amino acid precursors, they sensitively reflect mitochondrial lactate overflow and pharmacodynamic adaptation, offering objective assessment of adherence.</p>

New blood biomarkers reveal how faithfully diabetes patients take metformin

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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

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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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.

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Thermo Scientific mzVault offline advanced mass spectral database

mzVault provides you the capabilities to access and search mzCloud’s MS2-level spectral data off-line, or to store your own spectral library information.

<p><strong>Your data has inherent value, as it is the knowledge that you acquire. mzVault provides you the capabilities to access and search mzCloud’s MS<sup>2</sup>-level spectral data off-line, or to store your own spectral library information. Spectral information, and your knowledge, can be automatically sent from </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1759"><strong>Compound Discoverer</strong></a><strong> into a new, or existing library which can then be searched using Compound Discoverer or</strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1757"><strong> Mass Frontier.</strong></a></p><div><p>When you need to curate proprietary libraries and ensure the highest quality data, <strong>Mass Frontier</strong> provides you with the same tools used to curate <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1764"><strong>mzCloud</strong></a>, meaning that <strong>you can ensure your spectral data has been filtered, recalibrated, averaged and fully structurally annotated, ready to share your knowledge within your organization.</strong></p></div><div><h3><strong>Key benefits</strong></h3><h5><strong>Know more unknowns off-line</strong></h5><p><strong>Sometimes it isn’t possible to be online and access </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1764"><strong>mzCloud</strong></a><strong>.</strong> mzVault contains all MS<sup>2</sup>-level spectral data contained within mzCloud to allow for confident unknown identifications.</p><h5><strong>Create and share your knowledge&nbsp;&nbsp;&nbsp;&nbsp;</strong></h5><p><strong>Create, store and search your own in-house spectral libraries. </strong>Once you have identified unknowns through mzLogic, or you have your proprietary compounds, make sure that this valuable information can be leveraged.</p><h5><strong>Have I seen this unknown before?&nbsp;&nbsp;&nbsp;&nbsp;</strong></h5><p><strong>Even with extensive online structural databases, and mzLogic to propose a structure or sub-structure, there can be occasions where it remains an unknown.</strong> Store this information and re-use to see if you have previously observed any unknowns.</p><h5><strong>Curate your high-quality data</strong></h5><p><strong>When it is important to curate your valuable data</strong>, the <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/cz/en/home/industrial/mass-spectrometry/liquid-chromatography-mass-spectrometry-lc-ms/lc-ms-software/mass-spectral-libraries.html?open=curator">Curator</a> tool from Mass Frontier allows you to use the same tools used to populate <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1764"><strong>mzCloud</strong></a>, ensuring the creation of your own high-quality mzVault proprietary libraries.</p></div>

Thermo Scientific Metabolika module for easy pathway analysis

Create, edit and search reaction pathways using the new Metabolika module to take your knowledge to the next level. 

<div style="height:auto;" id="metabolika"><div><div><div><div colctrl-id="7-1"><div><div container-id="cq-colctrl-lt8" comp-id="B1"><div><p><strong>Create, edit and search reaction pathways using the new Metabolika module to take your knowledge to the next level. With publication-quality graphical functionality to create and edit reaction pathways within</strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1759"><strong> Thermo Scientific Compound Discoverer 3.0</strong></a><strong> or greater, and </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1757"><strong>Thermo Scientific Mass Frontier Software 8.0</strong></a><strong> or greater, and more than 370 curated and annotated biochemical pathways for a range of organisms, it is easier than ever to share your pathway knowledge.</strong></p><p>The Metabolika Module is also utilized within substructure searching, fragmentation prediction and for <strong>mzLogic</strong>, further increasing the chances of unknown compound identification.</p></div></div></div></div><div><p>When used within the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1759"><strong>Compound Discoverer software</strong></a>, this module can take your data visualization to a new level with interactive statistical data overlay, including metabolic flux analysis data.</p><div><h3><strong>Key benefits</strong></h3><h5><strong>Create, edit and store reaction pathways&nbsp;&nbsp;&nbsp;&nbsp;</strong></h5><p>From the included &gt;370 metabolic pathways, through to your own reaction pathways, easily curate and edit your knowledge for future use within both the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1759"><strong>Compound Discoverer</strong></a> and <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1757"><strong>Mass Frontier</strong></a> software.</p><h5><strong>Access knowledge of &gt;370 metabolic pathways&nbsp;&nbsp;&nbsp;&nbsp;</strong></h5><p>The combined knowledge of the included pathways isn’t just restricted to Metabolika, the information is also fully utilized for substructure searching as well as with<a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1762"> <strong>mzLogic</strong></a><strong>.</strong></p><h5><strong>Map pathways to your data, as well as visualize your statistical information</strong></h5><p>Pathways can be easily mapped to your detected compounds within the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1759"><strong>Compound Discoverer software</strong></a>, with highly visual and interactive representation. Additionally, your statistical information from flux analyses can be displayed within Metabolika pathways for easy data visualization.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Metabolika_module_for_easy_pathway_analysis_781f11c926.jpg" alt="Thermo Scientific Metabolika module for easy pathway analysis: An example of Metabolika pathways analysis tool with flux analysis data included, showing qualitative flux analysis of exchange rates from a stable isotope labeling experiment." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Metabolika_module_for_easy_pathway_analysis_781f11c926.jpg 245w," sizes="100vw" width="960" height="500"></p></div></div></div></div></div></div>

Thermo Scientific mzCloud Mass Spectral Library

mzCloud is a high-resolution, accurate-mass MSⁿ spectral library that helps identify unknown compounds when no reference standards are available, especially in complex studies.

<div colctrl-id="1-1"><div><div container-id="cq-colctrl-lt8" comp-id="B1"><div><h3><strong>Confident identification for unknown small molecules</strong></h3></div></div><div container-id="cq-colctrl-lt8" comp-id="B2"><div><p><strong>Mass spectral libraries and databases may be required to identify unknown compounds when reference standards are not available. This is particularly true for studies in areas such as metabolomics, forensic toxicology, food &amp; beverage, environmental emerging contaminants or extractables &amp; leachables.</strong></p></div></div></div></div><div><p>In these situations, a mass spectral library, particularly a high-resolution and accurate-mass MS<sup>n</sup> fragmentation library, such as the mzCloud mass spectral library, can provide the information required to confidently identify unknown compounds.</p><h3><strong>Key benefits</strong></h3><h5><strong>Confidence for unknown identification</strong></h5><p>Comprehensive curation of all library content with extensive, fully annotated and searchable fragmentation spectra to provide confidence in your results.</p><h5><strong>Know more unknowns&nbsp;&nbsp;&nbsp;&nbsp;</strong></h5><p>Identify unknowns with automated deconvolution and library searching against extensive fragmentation spectra covering a wide chemical space, including small molecule applications.</p><h5><strong>From spectra to structure&nbsp;&nbsp;</strong></h5><p>With solutions to cover infusion or LC-MS, nominal or high-resolution data, you can be sure that your MS<sup>n</sup> spectra will provide you with actionable results, even when there is no spectral library match.</p><h5><strong>Flexibility for research and routine applications</strong></h5><p>Search for free online at <a target="_blank" rel="noopener noreferrer" href="http://www.mzcloud.org/" aria-label="mzCloud.org - open in a new tab" data-uw-rm-ext-link="" uw-rm-external-link-id="http://www.mzcloud.org/$mzcloud.org"><span style="white-space:nowrap;">mzCloud.org</span></a>, or directly access through the Thermo Scientific Compound Discoverer and Mass Frontier software packages. Not online? mzVault provides you with the ability to perform offline spectral library searching.</p><figure class="image"><img style="aspect-ratio:1398/1002;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_ecc79fe9bf.jpg" alt="Thermo Scientific mzCloud Mass Spectral Library: mzCloud is easily and freely accessed online. Anyone can search, review, and use its extensive information. Note that the numbers above were correct at time of publication. For the most up to date numbers visit mzCloud.org." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_ecc79fe9bf.jpg 218w," sizes="100vw" width="1398" height="1002"></figure><h3><strong>What is in the mzCloud mass spectral library?</strong></h3><div style="height:auto;" id="whatismzcloud"><div><div><div><div><p>mzCloud is an extensively curated, high-quality mass spectral fragmentation library that contains significant amounts of spectra and metadata for each entry. Each entry also includes exhaustive high-resolution <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/cz/en/home/industrial/mass-spectrometry/liquid-chromatography-mass-spectrometry-lc-ms/lc-ms-software/mass-spectral-libraries/mzcloud-mass-spectral-library.html?open=multi-stage-fragmentation#multi-stage-fragmentation">MS/MS and multi-stage MS<sup>n</sup> spectra</a>, which have been acquired at various collision energies and using different fragmentation techniques.</p><p><strong>Each raw mass spectrum</strong> has been filtered to remove noise, recalibrated to ensure absolute mass accuracy, fully annotated and <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/cz/en/home/industrial/mass-spectrometry/liquid-chromatography-mass-spectrometry-lc-ms/lc-ms-software/mass-spectral-libraries/mzcloud-mass-spectral-library.html?open=content-curation#content-curation">curated</a> to ensure quality and consistency.</p><p>Finally, the contents of the library are <strong>updated weekly</strong> to provide coverage of a wide chemical space, ensuring relevance to all small-molecule application areas.</p></div><div><figure class="image"><img style="aspect-ratio:740/410;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_2_77a6795676.jpg" alt="Thermo Scientific mzCloud Mass Spectral Library: Example of the Mass Frontier software utilizing the contents of mzCloud to identify an unknown compound through a sub-structural search; the experimental fragmentation spectrum (top left) is searched against the mzCloud mass spectral database, with corresponding spectral hits shown in a given spectral tree (top, middle), with supporting spectral information (bottom left) and the identified precursor structure from the matched fragmentation spectra (bottom right), and the library compound structure from which the fragment originated (top right)." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_2_77a6795676.jpg 245w," sizes="100vw" width="740" height="410"></figure></div><div><p>Distinguishing among types of databases is important, as the contents and quality of the contents typically differs significantly and may have an impact upon the reliability of the data and the confidence in any results obtained.</p><ul><li><strong>Chemical database</strong>: A collection of chemical information with, at minimum, a name and a formula. It may also include structures, elemental composition, retention time information, and additional biological or chemical metadata.</li><li><strong>Accurate-mass (AM) database</strong>: An AM database contains accurate mass formulas.</li><li><strong>Accurate-mass retention-time (AMRT) database</strong>: An AMRT database contains accurate mass and retention time(s) for specific analytical methods.</li><li><strong>Library</strong>: A library is a database (AM or AMRT) that, in addition to the above, also contains reference mass spectral data, MS/MS, and/or MS<sup>n</sup> data on compounds.</li></ul><h3><strong>Multi-stage fragmentation in the mzCloud mass spectral library</strong></h3><div style="height:auto;" id="multistagefragmentation"><div><div><div><div><figure class="image"><img style="aspect-ratio:740/420;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_3_792a9d9a59.jpg" alt="Thermo Scientific mzCloud Mass Spectral Library: A schematic representation of a spectral tree within mzCloud. The MS spectra are acquired for a given compound in multiple polarities (ESI +/-), and for a range of adducts. Each precursor is exhaustively fragmented using different fragmentation techniques (CID, HCD) and at multiple collision energies to produce collections of fragmentation spectra at each fragmentation level (MS2, MS3, MS4 etc.), generating a comprehensive spectral tree of information for each library entry." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_3_792a9d9a59.jpg 245w," sizes="100vw" width="740" height="420"></figure><p>mzCloud is an<strong> all-encompassing mass spectral library </strong>with content based on a wide chemical space (therefore covering all small-molecule application areas), and acquiring high-resolution and accurate-mass data at various collision energies, for multiple adducts, using CID and HCD. Approximately 10–20 collision energies are included for every precursor ion; this multi-stage, multidimensional MS<sup>n</sup> spectral data are arranged into spectral trees, which are both extensive and comprehensive, typically containing many hundreds to thousands of spectra for each compound, with many exceeding MS<sup>4</sup> fragmentation steps.</p><p>The extensive data for each library entry is critical for accurate compound identifications, matching experimentally obtained data to that of the library contents, with fit confidence and data visualization <strong>provided in the</strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1759"><strong> Compound Discoverer</strong></a><strong> and </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1757"><strong>Mass Frontier</strong></a><strong> data analysis software.</strong> Additional tools in Compound Discoverer and Mass Frontier software, including <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1762"><strong>mzLogic</strong></a>, use the extensive fragmentation information to confidently identify unknowns that cannot be identified based upon the spectral library compound entries alone.</p><h3><strong>Content curation in the mzCloud mass spectral library</strong></h3><div style="height:auto;" id="contentcuration"><div><div><div><div><figure class="image"><img style="aspect-ratio:740/342;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_4_c7064c2ca2.jpg" alt="Thermo Scientific mzCloud Mass Spectral Library: An example of the mass spectral content curation tool available within the Mass Frontier software. It contains all the functionality used to manually curate the content contained within mzCloud. The power of mzCloud lies in both the extent and high quality of its content, which helps make confident compound identifications." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_4_c7064c2ca2.jpg 245w," sizes="100vw" width="740" height="342"></figure><p>Despite the fact that <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products?category=5&amp;manufacturerItems=3&amp;search=orbitrap"><strong>Thermo Scientific Orbitrap-based mass analyzers</strong></a> routinely deliver sub 3-ppm mass errors, there is a small amount of inaccuracy in any experimental data used to search against a library; these errors would be compounded if the library itself also contained data with mass errors. The compounded errors would mean that any identifications could be harder to make or have lower confidence due to match scores being higher.</p><p>Curating the content within mzCloud guards against error and variability in the reference spectra against which data is compared. <strong>The process of curation involves:</strong></p><ul><li>Averaging multiple, individually acquired spectra</li><li>The removal of mass spectral noise</li><li>Recalibration of the mass spectra based upon the predicted formulas for the fragment ion elemental compositions, based upon the known elemental composition and structure of the precursor ion</li><li>Annotation of all fragment ions with the fragment structure</li><li>Addition of large amounts of metadata, including the source of the data and all original raw data files</li></ul><p>This curation process is performed <strong>for every spectra</strong> - every collision energy, every fragmentation type, every MS<sup>n</sup> level and for each precursor ion. As such, the spectral data in mzCloud is of <strong>exceedingly high quality </strong>and offers significant advantages over crowd-sourced libraries due to the high levels of control.</p><figure class="image"><img style="aspect-ratio:740/350;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_5_0c3fdc4c6c.jpg" alt="Thermo Scientific mzCloud Mass Spectral Library: A recalibrated fragmentation spectrum showing no error on the highlighted peak at m/z 213.05462, along with all of the annotation that is provided for each spectra, at each collision energy, for each fragmentation type at each MSn level." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_5_0c3fdc4c6c.jpg 245w," sizes="100vw" width="740" height="350"></figure><div><div><div container-id="cq-colctrl-lt8" comp-id="B1"><div><h3><strong>How can I use the mzCloud mass spectral library?</strong></h3><p>Accelerate your small molecule unknown identification studies with <strong>mzCloud</strong>, <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1762"><strong>mzLogic</strong></a>, and the other data analysis and mass spectral prediction tools available in<strong> </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1759"><strong>Compound Discoverer</strong></a> software and <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1757"><strong>Mass Frontier</strong></a><strong> </strong>software.</p><p><img style="aspect-ratio:860/261;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_7_a8cefb0028.jpg" alt="Thermo Scientific mzCloud Mass Spectral Library: Connectivity of mzCloud and mzVault to Mass Frontier." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_7_a8cefb0028.jpg 245w," sizes="100vw" width="860" height="261"></p><p>The content within mzCloud is accessible through Compound Discoverer and Mass Frontier software packages, provided you have an internet connection. No internet? No problem – <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1760"><strong>mzVault</strong></a>, provides you with the MS and MS/MS content of mzCloud in an offline format.</p><div style="height:auto;" id="accessmzcloud"><div><div><div><div colctrl-id="3-1"><div><div container-id="cq-colctrl-lt8" comp-id="B1"><div><p><img style="aspect-ratio:860/242;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_6_ae3c0a28e1.jpg" alt="Thermo Scientific mzCloud Mass Spectral Library: Connectivity of mzCloud and mzVault to Compound Discoverer." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_6_ae3c0a28e1.jpg 245w," sizes="100vw" width="860" height="242"></p><p>Due to security concerns or local firewalls, not everyone can connect processing PCs to the internet. With that in mind, the contents of mzCloud are combined into an offline version twice a year. The <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1760"><strong>mzVault</strong></a><strong> </strong>software application helps you access this information. In addition to accessing the offline version of mzCloud, the mzVault application can store and search your high-quality custom in-house (offline) MS/MS spectral libraries.</p></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div>

Thermo Scientific Proteome Discoverer Software

Identify and quantify peptides and proteins in complex biological samples using Thermo Scientific™ Proteome Discoverer™ software. 

<h3><strong>Comprehensive, extensible, and intelligent platform</strong></h3><p><strong>Thermo Scientific Proteome Discoverer Software is the ultimate toolbox for protein research, offering customizable workflows tailored to the complexities of modern proteomics. It simplifies the identification and quantification of proteins in complex biological samples, supporting a wide range of workflows, including peptide and protein identification, post-translational modifications (PTM) analysis, isobaric mass tagging, and label-free quantitation (LFQ). It handles data from diverse acquisition methods, such as data-independent acquisition (DIA), data-dependent acquisition (DDA), and wide window acquisition (WWA), ensuring comprehensive coverage.</strong></p><p><strong>Advanced tools </strong>like INFERYS™ Rescoring and the CHIMERYS™ intelligent search algorithm by MSAID significantly increase identification rates, protein coverage, and the discovery of unique peptides and PTMs. The software enhances protein quantitation for isobaric mass tags and LFQ, supporting multiple database search algorithms and dissociation techniques. Whether analyzing glycopeptides, top-down proteomics, proteoforms, or MS-based structural biology like chemical cross-linking (XL-MS), Proteome Discoverer Software enables scientists to extract deeper biological insights from their data.</p><figure class="image"><img style="aspect-ratio:1131/598;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Proteome_Discoverer_Software_7_2221d76acd.jpg" alt="Thermo Scientific Proteome Discoverer Software: Proteome Discoverer software in peer reviewed articles." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Proteome_Discoverer_Software_7_2221d76acd.jpg 245w," sizes="100vw" width="1131" height="598"></figure><h3><strong>Key benefits</strong></h3><h5><strong>Customize your data analysis</strong></h5><p>Use the node-based workflow editor to customize your data analysis for maximum coverage and confidence. Integrate database search results from multiple search engines such as SEQUEST™ HT, Mascot, MSAmanda, Byonic™ from Protein Metrics, and<strong> </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1756"><strong>Thermo Scientific ProSightPD</strong></a> software. Increase confidence in peptide identification and quantification using INFERYS Rescoring and enable a deeper mining of your DIA, DDA, or WWA data using the CHIMERYS intelligent search algorithm.</p><h5><strong>Perform relative quantitation</strong></h5><p>Measure and report the relative expression levels of isotopically labeled peptides for:</p><ul><li>TMT SPS MS3</li><li>Glycopeptide identification and quantification</li><li>Phosphopeptide identification and quantification</li><li>Top-down proteomics</li><li>Cross-linking</li></ul><p>Confidently and efficiently interpret your data with integrated statistical and visualization tools for a faster time to meaningful results.</p><h5><strong>Extensible workflow tools</strong></h5><p>Utilize third-party nodes and build in customization with the scripting node, while maintaining full integration into the Proteome Discoverer software framework to leverage visualization, statistical analysis, and biological interpretation tools to take your analysis to the next level.</p><figure class="image"><img style="aspect-ratio:1160/533;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Proteome_Discoverer_Software_4_4d8ae8fcd2.jpg" alt="Thermo Scientific Proteome Discoverer Software: Extensibility - Connect to external tools via the Scripting Node; Integration with MSstatsTMT via custom script." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Proteome_Discoverer_Software_4_4d8ae8fcd2.jpg 245w," sizes="100vw" width="1160" height="533"></figure><h3><strong>Comprehensive tools for proteomic studies</strong></h3><p>With a wide range of database search options and the ability to combine the output from multiple algorithms, Proteome Discoverer software increases confidence in results and decision making through cross-validation. Augment searches with intelligent<strong> INFERYS Rescoring</strong> to increase confidence in peptide identification and quantitation. Whether you acquire your data in <strong>DIA, DDA, or WWA mode, CHIMERYS</strong> <strong>intelligent search algorithm </strong>helps you dig deeper into your data to substantially increase the number of unique peptide identifications, improve protein coverage, extend quantitation capabilities, and uncover new insights.</p><p>Complete sequence coverage and confident identification of post-translational modifications (PTMs) is realized with support for multiple dissociation techniques including collision-induced dissociation (CID), higher-energy collision-induced dissociation (HCD) and electron-transfer dissociation (ETD) in tandem with built-for-purpose search engines.</p><h3><strong>Customizable data analysis workflows</strong></h3><p><strong>Automate and simplify data analysis</strong> through customizable workflows including full support for multiple quantitative workflows. Enjoy experimental flexibility for quantitation by employing isobaric mass tagging with TMT and TMTpro reagent or other isotopic labeling strategies or utilize label-free quantitation techniques. Map quantitative data to biological information through study management and leverage fast, robust algorithms for peak selection and peptide quantification to extract the maximum possible information from quantitative proteomics studies.</p><p>Refine acquisition strategies by generating inclusion and exclusion lists that can be directly imported into instrument methods. Confidently and easily facilitate data comparison, exchange, and verification in compliance with data standards developed by the HUPO Proteomics Standards Initiative (PSI).</p><figure class="image"><img style="aspect-ratio:1232/459;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Proteomics_Software_Solution_98e62449c5.jpg" alt="Thermo Scientific Proteome Discoverer Software: The workflow system in Proteome Discoverer allows for customizable workflows to analyze complex proteomics data. The workflow system is composed of nodes that can connect in linear or branched pathways. While these workflows are highly customizable, pre-defined workflows for common workflows such as TMT, LFQ, PTM identification and cross-linked peptide ID are included." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Proteomics_Software_Solution_98e62449c5.jpg 245w," sizes="100vw" width="1232" height="459"></figure><h5><strong>Interactive enrichment table from graphical results to find overrepresented pathways</strong></h5><figure class="image"><img style="aspect-ratio:1344/924;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Proteome_Discoverer_Software_3_c01db3165a.jpg" alt="Thermo Scientific Proteome Discoverer Software: Interactive enrichment tables allow for the selection of up- or down-regulated proteins or peptides in any view, including volcano plots, PCA plots, and heat maps, and the visualization of corresponding Reactome pathways from the checked proteins to help derive biological interpretation of results. In addition to Reactome pathways, KEGG and Wikipathways as well as gene ontology terms and protein families can be visualized in the enrichment table." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Proteome_Discoverer_Software_3_c01db3165a.jpg 227w," sizes="100vw" width="1344" height="924"></figure><h5><strong>Pathway maps</strong></h5><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Proteome_Discoverer_Software_5_c087bb9d6f.jpg" alt="Thermo Scientific Proteome Discoverer Software: Pathways can also be directly visualized, providing biological context and background literature references using pathway maps." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Proteome_Discoverer_Software_5_c087bb9d6f.jpg 245w," sizes="100vw" width="1119" height="584"></p><h5><strong>Interactive data visualization</strong></h5><figure class="image"><img style="aspect-ratio:973/879;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Proteome_Discoverer_Software_6_2b32110442.jpg" alt="Thermo Scientific Proteome Discoverer Software: Interactive data visualization." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Proteome_Discoverer_Software_6_2b32110442.jpg 173w," sizes="100vw" width="973" height="879"></figure>

Thermo Scientific™ SimGlycan™ Software

SimGlycan software processes and interprets the multi-stage/sequential (MSn) data produced by Thermo Scientific™ Mass Spectrometers, a capability essential to determining glycan heterogeneity and isomeric forms.

<p><strong>Speed the characterization of complex glycans using SimGlycan™ software from PREMIER Biosoft. SimGlycan software processes and interprets the multi-stage/sequential (MS<sup>n</sup>) data produced by Thermo Scientific™ Mass Spectrometers, a capability essential to determining glycan heterogeneity and isomeric forms.</strong></p><p>The software automatically matches experimental mass spectra against a comprehensive database and generates a scored list of candidate structures.</p><h3><strong>Comprehensive Analyses</strong></h3><ul><li>Supports all Thermo Scientific ion trap and Orbitrap™-based instruments performing glycan characterization</li><li>Processes MS<sup>n</sup> data to resolve glycan heterogeneity, branching patterns, and isobaric structures. Up to seven levels of MS fragmentation can be needed to differentiate between glycan structural isomers</li><li>Includes a database of over 22500 glycans to process and verify structures</li><li>Provides a wealth of relevant biological information for the probable glycan structure, including glycan class, reaction, pathway, and enzyme</li><li>Searches for glycans with various chemical derivatives used for reducing end modifications, even if the derivative is not available in the database</li><li>Characterizes Na, Li, Mg, K, and formate adducts, and adduct combinations such as Na + H, Li + H, etc.</li><li>Identifies complex glycosaminoglycan structures, even when modified with substituents such as sulfate, phosphate, and ethanolamine</li><li>Determines cross-ring and double glycosidic cleavages, through a combination of permethyl derivatization and MS<sup>n</sup> data</li></ul><h3><strong>Powerful Reporting</strong></h3><ul><li>Creates reports that include glycan characteristics such as ID, sequence, name, composition, mass, precursor ion <i>m/z</i>, class, reaction, pathway, glycan image and theoretical fragments with corresponding mass and <i>m/z</i> values</li><li>Exports images of glycan structures, fragments, and spectra as JPEG or PNG files</li></ul>

Thermo Scientific LC-MS Data Processing Software

 Thermo Scientific LC-MS software streamlines data analysis with application-specific tools for -omics, pharma, and quant. Gain reliable insights to support decisions.

Thermo Scientific Ardia Platform

Built using cloud technology, the Ardia Platform centralizes information, including scientific data and results, maximizes instrument utilization, and accelerates data analysis to help scientists get closer to the truth.

<h3><strong>Bring your laboratory into a new era of connectivity with the Ardia Platform</strong></h3><p data-start="64" data-end="714"><strong>Digital transformation is a journey driven by the desire to fundamentally improve laboratory working practices by leveraging the latest advances in IT. The Thermo Scientific™ Ardia™ Platform allows the laboratory to harness the same technology.&nbsp;</strong></p><p data-start="64" data-end="714">In an era where laboratories are uncompromising in their pursuit of efficiency, the demand for software that seamlessly connects data, instruments, and scientists is on the rise.</p><p data-start="64" data-end="714">Built using cloud technology, the Ardia Platform centralizes information, including scientific data and results, maximizes instrument utilization, and accelerates data analysis to help scientists get closer to the truth.</p><figure class="image"><img style="aspect-ratio:1440/1127;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Ardia_Platform_2_4c83f21ef8.jpg" alt="Thermo Scientific Ardia Platform." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Ardia_Platform_2_4c83f21ef8.jpg 200w," sizes="100vw" width="1440" height="1127"></figure><h5><strong>Centralize</strong></h5><p>Revolutionize data management by bringing together all your data sources, formats, and applications into one platform. With centralized data, you gain unprecedented control, accessibility, and efficiency, enabling you to make data‑driven decisions with confidence.</p><h5><strong>Unify</strong></h5><p>Say goodbye to the complexities of managing data scattered across various systems and locations. The Ardia Platform integrates with a growing list of software tools and applications for direct data access and automated data transfer, allowing you to harness the power of a unified platform and help eliminate data silos.</p><h5><strong>Streamline</strong></h5><p>Eliminate time‑consuming manual data transfers with automated workflows via the Ardia Platform’s Data Sync tool. Automatically transfer data to and from your repository for applications that are not yet connected so users can focus on what matters most.</p><h5><strong>Collaborate</strong></h5><p>Collaboration goes beyond just centralizing data and integrating software. With a single platform, you can easily share, access, and collaborate on data. Real‑time data updates, shared dashboards, and collaborative tools facilitate efficient teamwork, accelerating project timelines and driving innovation</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Ardia_Platform_57590fecf7.jpg" alt="Thermo Scientific Ardia Platform." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Ardia_Platform_57590fecf7.jpg 245w," sizes="100vw" width="1022" height="450"></p><h3><strong>Data management</strong></h3><p>Securing, managing, and effectively utilizing large volumes of scientific data stored across multiple devices in different formats can be challenging and time-consuming.<br>The Ardia Platform offers robust data management capabilities that address these challenges. With automated central data storage, including backup and archival capabilities, and comprehensive access controls, users can securely access, view, and organize information from various applications more effectively.</p><blockquote><p><strong>webinar: </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4962"><strong>Take control of your data and instruments</strong></a></p></blockquote><div><div data-message-author-role="assistant" data-message-id="ba34c04b-e6ae-4d15-ac9e-9e3606bb4933" dir="auto" data-message-model-slug="gpt-4o"><div><div><h4><strong>Centralize your data and enable accessibility and security</strong></h4><h5><strong>Manage</strong></h5><p data-start="64" data-end="990">The Ardia Platform provides secure, single‑point data management with automated transfer of data and results from <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/76"><strong>Thermo Scientific™ Chromeleon™ Chromatography Data System</strong></a><strong>, </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1758"><strong>Xcalibur™</strong></a><strong>,</strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1759"><strong> Compound Discoverer™</strong></a><strong>, </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1782"><strong>Proteome Discoverer™</strong></a><strong>,</strong> and<strong> </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1837"><strong>BioPharma Finder™ software</strong></a>, as well as third‑party application data via the Ardia Platform’s Data Sync functionality.<br>With single‑point data storage, users can enhance data accessibility, improve data organization and discovery, and reduce or eliminate data duplication.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Ardia_Platform_3_0ea16b74db.jpg" alt="Thermo Scientific Ardia Platform." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Ardia_Platform_3_0ea16b74db.jpg 245w," sizes="100vw" width="1440" height="544"></p><h5><strong>Secure</strong></h5><p data-start="64" data-end="990">Keep data secure and controlled with user login access, system‑generated audit trails, and embedded user and data management tools, customizable to your organization’s specific needs. Streamline your operations and ensure disaster resilience through built‑in capabilities, such as tracking actions and simplifying data backup and archiving.</p></div></div></div></div><h3><strong>Ardia Platform’s Data Viewer</strong></h3><p>The intuitive, web‑based Ardia Platform’s Data Viewer tool provides a <strong>single location</strong> for review of chromatography and mass spectrometry data, delivering consistency across software products integrated with the Ardia Platform.<br>With a new user interface, it’s easy to display chromatograms and spectra, quickly create extracted ion chromatograms, perform peak integration, export spectral data to the<strong> </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1764"><strong>mzCloud™</strong></a> library for easy compound annotation, and view diagnostic channels like pump pressure for troubleshooting.<br>Expedite data review with user‑friendly features that include the ability to import a mass list, export plots in .svg format for high‑resolution visualizations, and quickly display linked data‑dependent acquisitions.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Ardia_Platform_4_9d3c486827.jpg" alt="Thermo Scientific Ardia Platform." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Ardia_Platform_4_9d3c486827.jpg 245w," sizes="100vw" width="1918" height="1012"></p><h3><strong>Instrument management</strong></h3><p>Managing a set of individual instruments is often a manual, time-consuming task. Bringing them together in one place, the Ardia Platform’s Instrument application enables monitoring and management of all connected instruments to maximize utilization and eliminate paper records.<br>This can significantly improve productivity by minimizing downtime, reducing delays, and improving lab efficiency.</p><h4><strong>Effective instrument management to drive laboratory productivity</strong></h4><h5><strong>Monitor</strong></h5><p>Easily view all connected systems from a central location with instrument cards providing real‑time status and data acquisition information for a holistic laboratory view to enable fast, informed decisions.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Ardia_Platform_5_f985768d28.jpg" alt="Thermo Scientific Ardia Platform." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Ardia_Platform_5_f985768d28.jpg 245w," sizes="100vw" width="1692" height="809"></p><h5><strong>Record</strong></h5><p>Digitize, standardize, and centralize instrument logbooks with automated event logging, plus manual entry tools to record maintenance activities, custom notes, and images. Automatic tracking of instrument module movements between systems assists laboratories in maintaining accurate and complete records, helping to ensure instruments are controlled and working properly, instilling confidence in result reliability. Instrument support is accelerated via in‑app service ticket and support package generation for immediate delivery to Thermo Fisher Scientific technical support.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Ardia_Platform_6_1a2b159f68.jpg" alt="Thermo Scientific Ardia Platform." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Ardia_Platform_6_1a2b159f68.jpg 200w," sizes="100vw" width="873" height="680"></p><h5><strong>Schedule</strong></h5><p>Increase laboratory efficiency by optimizing instrument utilization. The Ardia Platform’s Instruments Scheduler tool provides a single point to plan work, view system availability, reserve time, and set maintenance windows on all connected instruments to minimize downtime.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Ardia_Platform_7_01ca77bc6d.jpg" alt="Thermo Scientific Ardia Platform." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Ardia_Platform_7_01ca77bc6d.jpg 245w," sizes="100vw" width="1483" height="548"></p><h5><strong>Utilize</strong></h5><p>The Ardia Platform’s Data Insights application provides out‑of‑the‑box dashboards for key laboratory insights on resource availability, instrument status, and instrument performance in a centralized location. Track and monitor system metrics such as injection quantity, time, volume, type or status, and % utilization across systems and geographical locations. With interactive dashboards that can be filtered by system, system type, location, project, or time, you can easily focus on the metrics that matter most.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Ardia_Platform_8_3a6b276497.jpg" alt="Thermo Scientific Ardia Platform." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Ardia_Platform_8_3a6b276497.jpg 245w," sizes="100vw" width="1920" height="937"></p>

Thermo Scientific™ BioPharma Finder™ Software for the Characterization of Biotherapeutics

Simplify comprehensive biotherapeutic attribute characterization with advanced capabilities to increase throughput and confidence in a connected environment.

<div><div container-id="cq-colctrl-lt7" comp-id="A1"><div><p><strong>Discover how the features of Thermo Scientific BioPharma Finder Software are engineered to support the world of complex biopharmaceutical characterization. Featuring novel data processing algorithms and easy-to-interpret data visualization tools, the software supports users looking to confidently characterize biopharmaceuticals.</strong></p><p>Power BioPharma Finder&nbsp;Software with the<a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1821"> <strong>Thermo Scientific Ardia Platform</strong></a> to automate file centralization during acquisition, expand file access, enable report creation and result sharing, and remove data management barriers from your daily routine.</p><div><h3><strong>Key benefits</strong></h3></div><div><ul><li><strong>Confident characterization: </strong>Explore a solution for confident animo acid sequence characterization with the <strong>Peptide Mapping Analysis</strong> module featuring a novel MS<sup>2</sup> prediction algorithm.</li><li><strong>Customized Nucleotide sequence support:</strong> Leverage the ability to create customized nucleotide sequences to support confirmation with the <strong>Oligonucleotide Analysis </strong>module featuring an improved MS<sup>2</sup> fragmentation model (available in BioPharma Finder Software version 5.3).</li><li><strong>Efficient data handling:</strong> Move through vast amounts of data with remarkable efficiency using the <strong>Intact Mass Analysis</strong> module. With innovative deconvolution algorithms and features, you can generate multi-consensus reports effortlessly, providing a comprehensive view of your results.</li><li><strong>Unparalleled Modification Exploration and Flexibility: </strong>The <strong>Top-Down Analysis</strong> module empowers you to search through an extensive range of modifications, even at the per-peak level. With multiple fragmentation modes and a cross-array processing algorithm, you have the flexibility to explore your samples in greater detail.</li><li><strong>Seamless integration: </strong>See how easy it is to move from sophisticated characterization using BioPharma Finder Software to confident quantitation in <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/76"><strong>Chromeleon CDS software</strong></a> with benefits added by the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1821"><strong>Ardia Platform</strong></a> including connecting instrument data, supporting global access and centralizing BioPharma Finder reports.</li></ul><h3><strong>Learn more about BioPharma Finder Software</strong></h3><div><p>The<strong> right combination </strong>of data and software makes all the difference in accurately characterizing molecules, especially for large molecule.</p><h4><strong>Peptide mapping analysis</strong></h4><p>Characterization of a macromolecule comprised of an amino acid sequence can involve a lot of moving targets. Techniques for confident confirmation typically include comparisons of data collected against theoretical knowledge of the sequence. The best processing tools will also give users the ability to model probable sequences against the data collected with easy-to-use tools to increase the confidence of the identification and supply the summary reports with easy-to-interpret results.</p><div><h5><strong>Featured in the Peptide Mapping Analysis</strong></h5><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Bio_Pharma_Finder_Software_b88e243207.jpg" alt="Thermo Scientific™ BioPharma Finder™ Software: Processing with the novel MS2 algorithm in the Peptide Mapping Analysis module, generates a predictive model that includes Kinetical predictions that are compared with the measured spectra to increase confidence in the identification." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Bio_Pharma_Finder_Software_b88e243207.jpg 245w," sizes="100vw" width="1160" height="540"><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Bio_Pharma_Finder_Software_2_6dda72b394.jpg" alt="Thermo Scientific™ BioPharma Finder™ Software:  These processing tools, when combined, produce intuitive result review tools including comprehensive coverage maps, deep dive spectral comparison views and graphical sample comparison options." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Bio_Pharma_Finder_Software_2_6dda72b394.jpg 245w," sizes="100vw" width="1160" height="600"></p><div><h5><strong>Detect and quantify host cell proteins</strong></h5></div><div><p>The sensitivity of the detection algorithm and prediction analytics allow for high confidence even for low abundance targets to support residuals applications like Host Cell Protein (HCP) analysis.</p></div><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Bio_Pharma_Finder_Software_3_e493898dc1.jpg" alt="Thermo Scientific™ BioPharma Finder™ Software: Detect and quantify host cell proteins." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Bio_Pharma_Finder_Software_3_e493898dc1.jpg 245w," sizes="100vw" width="1160" height="600"></p></div><h4><strong>Oligonucleotide analysis</strong></h4><div><p><strong>Sequence confirmation </strong>for oligonucleotides can be daunting. Take the question out of sequence confirmation with our enhanced MS<sup>2</sup> predictive algorithms that can iteratively create the best array of possibilities without iterating into infinity. Summarize your characterization with visual tools, generate easy-to-interpret results and enhance collaboration by saving and sharing reports in a connected environment.&nbsp;&nbsp;</p><h5><strong>Featured in the Oligonucleotide Analysis module</strong></h5><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Bio_Pharma_Finder_Software_4_f709ce5528.jpg" alt="Thermo Scientific™ BioPharma Finder™ Software:  The oligonucleotide sequence editor provides an easy-to-use interface for quickly and easily building and visualizing customized oligonucleotide sequences. Build out multiple expected sequences from custom building block subunits, a wide selection of modifications from the predefined list or with user-defined custom modifications." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Bio_Pharma_Finder_Software_4_f709ce5528.jpg 245w," sizes="100vw" width="1160" height="600"><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Bio_Pharma_Finder_Software_5_f204e2cd40.jpg" alt="Thermo Scientific™ BioPharma Finder™ Software:  Eliminate alternative possibilities based on the entered sequence with the random sequence generator and leverage the in silico digest tools to support confident sequence verification - all using an updated MS2 prediction algorithm (available in BioPharma Finder Software version 5.3)." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Bio_Pharma_Finder_Software_5_f204e2cd40.jpg 245w," sizes="100vw" width="1160" height="600"><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Bio_Pharma_Finder_Software_6_f7f2d9e029.jpg" alt="Thermo Scientific™ BioPharma Finder™ Software:  Perform mRNA mapping with selected in silico mRNA digestion or define the cleavage locations manually. Dig into the identity of fragments and expected or unexpected modifications and assess the overall coverage with intuitive visual coverage maps." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Bio_Pharma_Finder_Software_6_f7f2d9e029.jpg 245w," sizes="100vw" width="1160" height="600"></p></div><h4><strong>Intact mass analysis</strong></h4><div><div container-id="cq-colctrl-lt2" comp-id="B1"><div><p>Intact analysis on its face is a simple mathematical calculation used to deconvolute a series of m/z values into components but throw in the complexity of large molecule targets with modifications in a mixture of other like-molecules and mass accuracy becomes harder to achieve. No matter your data resolution,<strong> leverage innovative software tools engineered</strong> to filter and process through complex spectra with the <strong>Intact Analysis module.</strong> Discover how to quickly acquire and process batches of samples supported by a central data location on the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1821"><strong>Ardia Platform</strong></a> and speed through large batch-to-batch comparison studies to create summaries with connected multi-consensus reports.</p><div><h5><strong>Featured in the Intact Analysis module</strong></h5><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Bio_Pharma_Finder_Software_7_72cfbd44c3.jpg" alt="Thermo Scientific™ BioPharma Finder™ Software:  Accurately determine molecular weights utilizing the Sliding Window algorithm coupled with our optimized Xtract (for high resolution) and Respect (for lower resolution) deconvolution algorithms. Achieve comprehensive detection, even for co-eluting, low-intensity components in complex mixtures and account for any shifts in retention time." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Bio_Pharma_Finder_Software_7_72cfbd44c3.jpg 245w," sizes="100vw" width="1160" height="323"></p></div><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Bio_Pharma_Finder_Software_8_d0c92fbca9.jpg" alt="Thermo Scientific™ BioPharma Finder™ Software:  Use the expanded sequence matching capabilities for oligonucleotides which includes the ability to perform Terminal Truncation Searching from either the 3' or 5' terminus, facilitating the identification of impurities with greater ease. " srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Bio_Pharma_Finder_Software_8_d0c92fbca9.jpg 245w," sizes="100vw" width="1160" height="600"><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Bio_Pharma_Finder_Software_9_d345484402.jpg" alt="Thermo Scientific™ BioPharma Finder™ Software:  The intact mass analysis of heavily modified oligonucleotides presents analytical and data processing challenges due to the frequent usage of sulfur modifications. Pairing Thermo Scientific Orbitrap mass spectrometers with BioPharma Finder Software allows for confident intact mass identification of phosphorothioate conversion of oligonucleotides with less than 5 ppm error." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Bio_Pharma_Finder_Software_9_d345484402.jpg 245w," sizes="100vw" width="1160" height="600"></p></div></div></div><h4><strong>Top-down analysis</strong></h4><div><div container-id="cq-colctrl-lt2" comp-id="B1"><div><p><strong>Higher order structure characterization</strong> requires a combination of some of the most variable sample treatment techniques, variable data acquisition techniques, and combined or complex data processing techniques. Looking to gently pry apart large complexes without reducing them to their smallest parts and understand them is an art and a science that can be supported by the <strong>Top-Down Analysis module</strong>. Explore the tools offered to help refine the field of predicted possibilities without restricting them, the support for multi fragmentation mode data, and the easy-to-use multi-consensus summaries to understand your molecule.</p><div><h5><strong>Featured in the Top-Down Analysis module</strong></h5><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Bio_Pharma_Finder_Software_10_7e7ef85413.jpg" alt="Thermo Scientific™ BioPharma Finder™ Software:  With the ProSightBP processing tool users can set variable or static sites for modification, select peak specific deconvolution parameters and even select peak specific sequence searching then let ProSightBP create the predictions. Combine the data from multi fragmentation modes including CID, HCD, ETD, EThcD, and UVPD resulting in confident identification." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Bio_Pharma_Finder_Software_10_7e7ef85413.jpg 245w," sizes="100vw" width="1160" height="600"><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Bio_Pharma_Finder_Software_11_e3c9f5084b.jpg" alt="Thermo Scientific™ BioPharma Finder™ Software:  Combining the predictive power of ProSight BP against the deconvoluted accurate mass with the sequence coverage from ETD and UVPD fragmentation reveals a comprehensive set of results to support confident molecule characterization." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Bio_Pharma_Finder_Software_11_e3c9f5084b.jpg 245w," sizes="100vw" width="1160" height="600"></p></div></div></div></div><h4><strong>Connecting to the Ardia Platform</strong></h4><div><p>Living in a world connected by networks that enable people to share everything doesn’t have to stop in the lab. With the<a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1821"><strong> Ardia Platform</strong></a> see how easy it can be to automatically centralize files, connect into those files from anywhere and process them with <strong>BioPharma Finder Software</strong> or any connected application.&nbsp;&nbsp;</p><div><h5><strong>Featured enhancements through connection</strong></h5><div><div container-id="cq-colctrl-lt2" comp-id="B1"><div><p><strong>Faster data review</strong></p><ul><li>Review a result generated by<strong> another colleague</strong> without having to import the results, open it from the shared secured Ardia Platform data repository, make comments or changes, and the software will automatically generate a new version to record the changes.</li></ul><p><strong>Better data management with centralized secured data</strong></p><ul><li>All results are <strong>securely </strong>saved in one place, no more finding the “right” computer or hard drive that contains the experiment and data.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Bio_Pharma_Finder_Software_12_b6a814cd90.jpg" alt="Thermo Scientific™ BioPharma Finder™ Software:  Keep data secure and controlled. Gain insights into file history, method history, and manage user access with control." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Bio_Pharma_Finder_Software_12_b6a814cd90.jpg 245w," sizes="100vw" width="1160" height="600"><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Bio_Pharma_Finder_Software_13_1e3b879f18.jpg" alt="Thermo Scientific™ BioPharma Finder™ Software:  Save and review individual reports without having to open BioPharma Finder Software for oligonucleotide, peptide mapping and intact mass applications. Utilize default reporting templates to speed development of customized reports and effectively modify templates to achieve desired result summary with the help of the customizable report designer." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Bio_Pharma_Finder_Software_13_1e3b879f18.jpg 245w," sizes="100vw" width="1160" height="600"></p><p>Enable collaboration on a global scale in a secure fashion to collaborate, compare, track, and finalize peptide results and workbooks using dynamic versioning history. Accelerate method optimization and review through a shared secure environment.</p></div></div></div></div></div></div></div></div></div></div>

Thermo Scientific™ Chromeleon™ XPS Open Access Software

Thermo Scientific™ Chromeleon™ XPS provides streamlined and easy-to-use interface for Thermo Scientific™ Chromeleon™ CDS, while maintaining full capabilities of the CDS software.

<p><strong>In modern laboratories, chromatography techniques and the use of mass spectrometry (MS) detection are in high demand. Until recently, MS detectors were regarded as sophisticated detection tools that could be operated only by a highly trained specialist. Nowadays mass spectrometers are increasingly used as straightforward detectors for chromatography.</strong></p><p>Alongside this move into routine use of MS is the continued deskilling of staff in the laboratory world, causing highly experienced chromatographers to be in short supply. The result is a substantial number of regular scientists and process operators that need to generate chromatographic results using advanced instrumentation themselves.</p><p>The solution is an Open Access tool enabling users to simply walk up and use a very straightforward interface to exploit the full power of the chromatography data system (CDS), without actually using the CDS software itself. <strong>Thermo Scientific™ Chromeleon™ XPS </strong>provides this <strong>streamlined and easy-to-use</strong> interface for <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/76"><strong>Thermo Scientific™ Chromeleon™ CDS</strong></a>, while maintaining <strong>full capabilities</strong> of the CDS software, like instrument control, data processing, reporting and compliance tools.</p><h3><strong>Workflow</strong></h3><p>Users can walk up to <strong>any chromatography instrument</strong> connected to the CDS, with or without MS detection, and start to run their analysis with only a <strong>few mouse-clicks.</strong></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_5e8f8c3dec.jpg" alt="Thermo Scientific™ Chromeleon™ XPS Open Access Software: First, select the analysis to perform (A) and which instrument should be used (B). The instrument overview shows the current instrument status’ and displays the estimated wait time until each instrument is available and the number of sample positions still available.  The instrument list is filtered depending on the analysis selected and the users privileges to only show appropriate instruments." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_5e8f8c3dec.jpg 196w," sizes="100vw" width="876" height="697"><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_2_a8b64a52ae.jpg" alt="Thermo Scientific™ Chromeleon™ XPS Open Access Software: Next, enter the sample names (C) and any other parameters (D) required for the analysis." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_2_a8b64a52ae.jpg 196w," sizes="100vw" width="876" height="697"><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_3_4b4367ffae.jpg" alt="Thermo Scientific™ Chromeleon™ XPS Open Access Software: Place the sample vials in the indicated positions and select Submit." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_3_4b4367ffae.jpg 196w," sizes="100vw" width="876" height="697"><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_4_0386d31c9a.jpg" alt="Thermo Scientific™ Chromeleon™ XPS Open Access Software: The sequence is submitted and will run. The operator is shown the expected start and finish time of the analyses." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_4_0386d31c9a.jpg 245w," sizes="100vw" width="625" height="263"><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_5_1b51ab8dd2.jpg" alt="Thermo Scientific™ Chromeleon™ XPS Open Access Software: At the end of the run, the results are automatically printed and/or exported and a link to the exported report can be distributed via email." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_5_1b51ab8dd2.jpg 245w," sizes="100vw" width="814" height="309"></p><h3><strong>Configuration and management</strong></h3><p>Running samples is as easy as described above once Chromeleon XPS software is set up, configured and managed by an experienced chromatographer.</p><ul><li>All the methods required for the analysis must be created; the instrument method with all instrument control and data acquisition parameters, the processing method with all data processing parameters and the report template with all required results, to be reported.&nbsp;</li><li>A Chromeleon eWorkflow is created using these methods. An eWorkflow is an electronic procedure that automates all steps of the laboratory process related to a chromatographic analysis</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_6_a3b2219e42.jpg" alt="Thermo Scientific™ Chromeleon™ XPS Open Access Software: The lab manager can customize Chromeleon XPS to show or hide individual toolbar buttons (A), which eWorkflows are visible to users (B) and which instruments they can access (C)." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_6_a3b2219e42.jpg 196w," sizes="100vw" width="876" height="697"><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_7_d647111f5d.jpg" alt="Thermo Scientific™ Chromeleon™ XPS Open Access Software: In addition, it is possible to define various system options, such as which email notifications to send." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_7_d647111f5d.jpg 193w," sizes="100vw" width="659" height="533"></p><p>Chromeleon XPS Open Access software lets <strong>any user</strong> run samples on their own by delivering a <strong>clean, streamlined walk-up interface</strong> that utilizes the<strong> full power</strong> of Chromeleon CDS. Users can access<strong> all instruments controlled by </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/76"><strong>Chromeleon CDS</strong></a><strong>, including MS</strong>, and automatically receive results or notifications about run completion or failure. The management console contains advanced customization options to fulfill any organization’s requirements, included fully regulated environments.</p><p><strong>Chromeleon XPS software provides error-free execution of any chromatography analysis with minimal training requirements for users.</strong></p>

Thermo Scientific LCQUAN Quantitative Software

LCQUAN is a robust, 21 CFR Part 11-compliant software for LC-MS/MS bioanalysis, providing complete tools for data acquisition, review, and secure management in drug development workflows.

<h4><strong>21 CFR Part 11-compliant software for quantitative LC-MS/MS data acquisition and management</strong></h4><p><strong>Thermo Scientific™ LCQUAN™ quantitative software is a robust, regulatory-compliant data system tailored for bioanalytical laboratories conducting LC-MS/MS assays. Developed in close collaboration with pharmaceutical industry experts, LCQUAN provides all the tools needed to acquire, process, review, and securely manage quantitative data across global drug development workflows.</strong></p><h3><strong>Key Features</strong></h3><h4><strong>Regulatory Compliance</strong></h4><ul><li>Fully compliant with FDA 21 CFR Part 11 requirements for electronic records and signatures</li><li>Enables secure submission of electronic documents to regulatory agencies, including the FDA</li></ul><h4><strong>Comprehensive Workflow</strong></h4><ul><li>Guides users step-by-step through acquisition, method development, data review, processing, reporting, and export</li><li>Supports import of sequence information from external systems</li><li>Streamlines interaction with Thermo Scientific™ Watson LIMS™ for GLP-compliant bioanalytical studies</li></ul><h4><strong>Secure Data Management</strong></h4><ul><li>Enables data processing on networked systems, including secure remote disks</li><li>Centralized, workbook-style data storage for easy archiving and retrieval</li><li>Multi-level user privileges—from full system access to read-only modes</li></ul><h4><strong>Seamless LIMS Integration</strong></h4><ul><li>Bi-directional communication with Watson LIMS facilitates study tracking, chromatogram review, auditing, and compliance</li><li>Optimized for regulated pharmaceutical workflows from discovery through clinical trials</li></ul><h4><strong>Proven Platform</strong></h4><ul><li>Part of an integrated Thermo Scientific LC-MS/MS solution suite, including TSQ Series mass spectrometers and FAIMS interface technology</li><li>Ensures high sensitivity, robustness, and reproducibility for regulated bioanalytical assays</li></ul>

Products from category GC, LC and MS data processing from Thermo Fisher Scientific - page 1

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