<div><div>Researchers led by <a target="_blank" rel="noopener noreferrer" href="https://kudova.group.uochb.cz/en">Eva Kudová</a> 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 Staphylococcus aureus.</div></div><div>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.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.These findings support the idea that rationally designed steroid-based molecules could act as antibiotic adjuvants, helping existing drugs overcome bacterial resistance.<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"><blockquote><h4>Original Article</h4><h4><a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0223523426001613?via%3Dihub">Steroidal hormones and neurosteroids - novel therapeutic strategies in bacterial infections: Design, synthesis, and biological evaluation</a></h4>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;Eur. J. Med. Chem., 2026, 308, 118716<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><h6>licensed under <a target="_blank" rel="noopener noreferrer" href="https://creativecommons.org/licenses/by/4.0/">CC-BY 4.0</a></h6></blockquote><h4>Abstract</h4>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 Staphylococcus aureus. Structure-activity relationship analysis identified compounds 13 and 16 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 13 significantly downregulated S. aureus 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.<h4>Instrumentation</h4><h5>Structural characterization</h5><ul><li>AVANCE III 400 MHz NMR spectrometer (Bruker)</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=3&amp;search=LTQ+Orbitrap+XL">LTQ Orbitrap XL HRMS</a> (Thermo Fisher Scientific, ESI)</li></ul></div>

Steroidal hormones and neurosteroids – novel therapeutic strategies in bacterial infections

Wiley, a global leader in authoritative content and research intelligence for the advancement of scientific discovery, innovation and learning, today announced the release of additional data to its IR and Raman spectral libraries, significantly broadening compound coverage, including materials, polymers, minerals, and others.This latest release includes the first installment of Raman spectra from Wiley's collaboration with the American Museum of Natural History (AMNH), announced earlier this spring, drawing from one of the world's most important mineral collections.“Researchers depend on reference data as a foundation for sound scientific decisions,” said Graeme Whitley, senior director, data science solutions at Wiley. “Continuous updates ensure scientists always have the most current, reliable reference libraries at their fingertips, helping them work faster and make confident decisions when it matters most.”<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Wiley_Wiley_expands_its_trusted_IR_and_Raman_spectral_library_collections_helping_analytical_labs_make_faster_more_confident_decisions_1a54aaad3a.jpg" alt="Wiley: Wiley expands its trusted IR and Raman spectral library collections—helping analytical labs make faster, more confident decisions" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Wiley_Wiley_expands_its_trusted_IR_and_Raman_spectral_library_collections_helping_analytical_labs_make_faster_more_confident_decisions_1a54aaad3a.jpg 245w," sizes="100vw" width="1600" height="856"><h4>Summary of updates:</h4><h5>KnowItAll Raman Spectral Library Collection</h5><ul><li>Added: 1,213 spectra</li><li>Now contains: 29K+ spectra</li></ul>2 new databases:<ul><li>Raman – American Museum of Natural History Minerals – Wiley – 198 spectra</li><li>Raman – Microbiology – 71 spectra</li></ul>Spectra added to databases:<ul><li>Raman – Consumer Goods &amp; Food-Related Compounds – +104</li><li>Raman – Drugs – +128</li><li>Raman – Materials – +132</li><li>Raman – Minerals – +233</li><li>Raman – Polymers – +5</li><li>Raman – Pigments &amp; Dyes – +342</li></ul><h5>KnowItAll IR Spectral Library Collection</h5><ul><li>Added: 949 spectra</li><li>Now contains: 344K+ spectra</li></ul>7 new databases:<ul><li>ATR-IR – Clinical – 364 spectra</li><li>ATR-IR – Materials – 10 spectra</li><li>ATR-IR – Pigments &amp; Dyes – 420 spectra</li><li>ATR-IR – Polymers – 21 spectra</li><li>IR – Clinical – 20 spectra</li><li>IR – Materials – 17 spectra</li><li>IR – Microbiology – 75 spectra</li></ul>Spectra added to databases:<ul><li>IR – Minerals – +5</li><li>IR – Polymers – +17</li></ul>Spectral library subscribers automatically gain access to new data, ensuring labs always have the most current, reliable reference libraries to improve analysis, reduce errors, and increase productivity.<ul><li>Learn more at: <a target="_blank" rel="noopener noreferrer" href="https://sciencesolutions.wiley.com/spectral-databases/">www.sciencesolutions.wiley.com/spectral-databases</a></li><li>Existing subscribers can access step-by-step guidance on updating their KnowItAll databases at <a target="_blank" rel="noopener noreferrer" href="https://sciencesolutions.wiley.com/how-to-update-knowitall-databases">https://sciencesolutions.wiley.com/how-to-update-knowitall-databases</a></li></ul><h5>Wiley Spectral Databases</h5>Wiley's spectral databases are consistently evolving to meet today's research demands, covering multiple spectral techniques across a wide range of applications including polymers, materials, environmental, forensics, toxicology, pharmaceutical, biotech, automotive, aerospace, food, cosmetics, and more. Built on rigorous quality protocols, Wiley delivers industry-leading spectral data and intelligent tools to accelerate analysis and deliver deeper insights — making it the authoritative, trusted source that analytical labs worldwide rely on.&nbsp;<h5>About Wiley</h5>Wiley (NYSE: WLY) is a global leader in authoritative content and research intelligence for the advancement of scientific discovery, innovation, and learning. With more than 200 years at the center of the scholarly ecosystem, Wiley combines trusted publishing heritage with AI-powered platforms to transform how knowledge is discovered, accessed, and applied. From individual researchers and students to Fortune 500 R&amp;D teams, Wiley enables the transformation of scientific breakthroughs into real-world impact. From knowledge to impact—Wiley is redefining what's possible in science and learning.&nbsp;

Wiley expands its trusted IR and Raman spectral library collections

Our Library never stops expanding. What are the most recent contributions to LabRulezICPMS Library in the week of 4th May 2026? Check out new documents from the field of spectroscopy/spectrometry and related techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT SPECTROSCOPY/SPECTROMETRY RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">LabRulezGCMS</a> libraries.</blockquote>This week we bring you application notes by KNAUER, Shimadzu, and Thermo Fisher Scientific!<h3>1. KNAUER: Analysis of HPLC fractions by Benchtop NMR</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/knauer_hplc_benchtop_nmr_web_638c60e13c.pdf">Full PDF for download</a></li></ul>Preparative HPLC is essential for isolating compounds and removing impurities in pharmaceutical and chemical industries. Non-destructive, fast analysis is preferred to maintain yield and enable at-line monitoring, avoiding lengthy sample preparation. Recent advancements in benchtop NMR spectrometers (up to 90 MHz) allow quick analysis without deuterated solvents. In this proof-of-concept study we purified a pharmaceutical sample via HPLC and confirmed its identity using benchtop NMR. Fractions (0.7–4.4 mM) were analyzed without preparation, using only 300 µL per sample, ensuring rapid batch control with no product loss. This study demonstrates the seamless integration of HPLC and benchtop NMR.<h4>Experimental</h4><h5>Preparative HPLC Method</h5>Eluent 20:80 Ethanol/water, isocratic mode, flow rate 12.5 ml/min, detection UV254 nm 2 Hz, 500 µl stacked injection, automated fractionation with threshold function, column temperature ambient, Column Eurospher II 100-10 C18 150x20 mm&nbsp;<h5>Analytical HPLC Method</h5>Eluent 20:80 Ethanol /water + 0.1% formic acid, isocratic mode, flow rate 1 ml/min, detection UV254 nm 10 Hz, 5 µl partial loop injection, column temperature 25 °C, Column <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1633">Eurospher II 100-5 C18</a> 150x4 mm&nbsp;<h5>NMR Method&nbsp;</h5>NMR spectra were acquired on a Magritek Multi-X Ultra 80 MHz benchtop NMR system using an adapted WET sequence for solvent suppression. 32 scans were acquired with a repetition time of 15s. WET parameters were adjusted for each sample to yield optimal suppression for all solvent signals. Pooled HPLC fractions were analysed directly without addition of deuterated solvents or other sample preparation.<h4>Conclusion</h4>This proof-of-concept study successfully shows that HPLC and benchtop NMR can be used together easily. Samples can be analyzed non-destructively within minutes and without any further preparation due to highly efficient suppression of multiple solvent signals. Compounds can be identified without the need of reference standards. This study shows that NMR can provide a valid compatible alternative detector for HPLC fraction analysis.<h3>2. Shimadzu: DIC Analysis in High-Speed Tensile Test of CFRP</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00854_en_fb6c68b858.pdf">Full PDF for download</a></li></ul><h4>User Benefits</h4><ul><li>The <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=1&amp;search=HPV-X3">HPV-X3</a> is suitable for observation of fracture of brittle materials such as CFRP because it has a maximum recording speed (framerate) of 20 Mfps.&nbsp;</li><li>The HPV-X3 provides improved DIC analysis performance, as its resolution is 3 times higher than that of the conventional highspeed video camera.</li><li>The HITS-TX impact testing machine enables testing at a maximum speed of 20 m/s</li></ul>Carbon fiber reinforced plastic (CFRP) is a material with particularly high specific strength, even among composite materials, and used in various applications such as transport aircraft, taking advantage of its excellent mechanical properties. Because CFRP consists of carbon fibers and resin, it shows complex fracture behavior, and brittle fracture progresses from damage as the point of origin. Since fracture proceeds instantaneously, a high-speed video camera with a high recording speed is necessary when observing fracture of CFRP. One method for measuring strain in a high-speed tensile test is Digital Image Correlation (DIC), which visualizes the distribution of strain at the specimen surface by comparing a random pattern on the specimen surface before and after deformation. Thus, a high-speed video camera with a high resolution is also necessary in order to improve the DIC performance.&nbsp;Newly-developed <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?mainauthorItems=1&amp;search=HPV-X3">Hyper Vision HPV-X3 high-speed video camera</a> is extremely well-suited to DIC analysis of CFRP, as its recording speed is 2 timesfaster and itsresolution is 3 times higher than the conventional HPV-X2. In this experiment, a high-speed tensile test of CFRP was conducted using a HITS-TX high-speed tensile testing machine. The condition of the test was observed with the new HPV-X3, and the strain distribution of the CFRP test piece was clarified by a DIC analysis of the recorded images.<h4>Test Piece and Test Instruments</h4>A CFRP quasi-isotropic laminate was used as the test piece. Aluminum foil was glued to the back side of the test piece, and the timing when the electrical conduction of the aluminum foil was interrupted by fracture of the test piece was used as the trigger for video recording. The HITS-TX was used in the highspeed tensile test. The HPV-X3 was used in fracture observation, and for comparison, the fracture process was also recorded with the conventional HPV-X2 camera. Fig. 1 shows the condition of the test, and Table 1 and Table 2 show the equipment composition and test conditions, respectively.<h4>DIC Analysis Results in High-Speed Tensile Test</h4>Fig. 3 shows the DIC analysis results in the high-speed tensile test. The color bar was set to display the color purple at around 0 % strain and red at around 2 % strain. Fig. 3 (1) is an image at the start of the test. After the test started, strain in the 45˚ direction concentrated from the lower left to the right central area, as can be seen in Fig. 3 (2). Then, as the test progressed, a condition of increasing strain in the initial area of strain concentration can be seen in Fig. 3 (3) to (9). A crack occurs in Fig. 3 (10), and strain decreases in the crack area. Following this, the test piece fractured completely in Fig. 3 (11) and (12), and a decrease in the strain in the area around the crack could be observed.<h4>Conclusion</h4>A high-speed tensile test of CFRP was conducted using a HITSTX high-speed tensile testing machine and the newlydeveloped HPV-X3 high-speed video camera, and the strain distribution at the time of test piece fracture was visualized by a DIC analysis. Because the HPV-X3 offers a 3 times higher resolution and a 2 times faster recording speed than the conventional device, it is a suitable high-speed video camera for fracture observation and DIC analysis in impact tests of brittle materials such as CFRP. The measurement system introduced in this Application News article is a useful tool for the development of composite materials.<h3>3. Thermo Fisher Scientific: Polymer analysis using femtosecond-laser-ablation depth profiling</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/xps_depth_profiling_polymer_analysis_appnote_c731e2e7e0.pdf">Full PDF for download</a></li></ul>X-ray photoelectron spectroscopy (XPS) is an essential polymer characterization technique that can identify not just the elemental composition but also the chemical state of polymer samples. This allows the chemical bonding environment to be deduced and, as a result, the polymer species can be identified. This can all be achieved with minimal sample preparation thanks to the built-in charge-compensation systems found in XPS instruments, which simplify the analysis of insulating samples.&nbsp;The introduction of gas cluster ion sources (GCIS), such as the Thermo Scientific™ MAGCIS Dual Mode Ion Source, marked a major step forward in polymer analysis. Unlike monatomic ion beams, GCIS are able to clean surface contamination, and etch away layers of sample material, without damaging the underlying chemistry of organic samples such as polymers. As a result, GCIS has allowed chemical-damage-free analysis to reach micrometers below the sample surface. This depth of analysis can be highly time consuming, however, and total experimental times can range from multiple hours to days.&nbsp;The addition of femtosecond-laser-ablation (fs-LA) technology is alleviating this, allowing for XPS spectra to be collected from a depth of tens of µm into a sample in a matter of minutes. This is because the laser ablation occurs on the femtosecond timescale (i.e., nearly instantaneously), effectively eliminating the material removal time of the depth profile. Additionally, unlike other material removal techniques such as atomic ion beam impact (where a collision cascade effect is induced to remove surface material) fs-LA is capable of removing material without chemical damage due to the ultrashort columbic explosion process used to eject the material. The resulting profile is therefore representative of the actual sample chemistry.<h4>Paint layer analysis&nbsp;</h4>In traditional ion-beam depth profiling, analytical depths are generally limited to several hundred nanometers, up to a micrometer. This means that it is extremely difficult to analyze the interfaces between multiple micrometer-thick layers in a sample without the use of additional techniques such as ultralow-angle microtome (ULAM) sectioning.¹ The introduction of fs-LA technology, however, allows micrometers of material to be removed rapidly, enabling the characterization of layered samples.&nbsp;As an example, a multi-layer paint specimen (provided by the University of Surrey, UK) was depth profiled using the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/2206">Thermo Scientific™ Hypulse™ Surface Analysis System</a>. The sample consists of an aluminum substrate coated with a 5 µm layer of polyurethane primer followed by a 25 µm PMMA/PVdF topcoat.The depth profile was generated using a 1,030 nm laser with an energy of 250 µJ for ablation, along with a 30 µm X-ray spot size for data collection. XPS spectra were collected after each ablation cycle to obtain an atomic concentration plot through both paint layers into the substrate material (Figure 2).&nbsp;5 distinct regions throughout the analyzed depth can be seen. The top surface of the sample consists of an adventitious layer of carbon contamination, which is commonly found on samples exposed to air. The second layer is the 25 µm PVdF/PMMA topcoat, and the third layer is the PU primer. Between the primer and the final aluminum substrate layer, a clear increase in adventitious carbon is observed, similar to the signal seen at the top sample surface. This suggests residual carbon contamination was present on the substrate before the paint layers were applied.&nbsp;It would take hours to produce the XPS depth profile shown in Figure 2 using traditional ion beam approaches. Even with the use of a monatomic beam with a high energy per atom, the length of the analysis could still be just as long, depending on the sample material, and would sacrifice the chemistry of any organic/polymeric materials. The combination of fs-LA depth profiling and snapshot XPS acquisition, meanwhile, can reduce the experimental time to less than 20 minutes without inducing any chemical damage to the sample surface.<h4>Summary&nbsp;</h4>One of the most critical aspects of successful polymer XPS depth profiling is the preservation of the sample chemistry during material removal. Additionally, experiment time can be a significant limiting factor, and thicker samples could lead to reduced time for repeat experiments. The femtosecond laser ablation capabilities of the Hypulse Surface Analysis System provide fast, efficient, and chemical-damage-free material removal from a sample surface, enabling analysis multiple micrometers into a sample. This means that hidden sample interfaces, that were largely inaccessible before, can now be analyzed easily and efficiently

News from LabRulezICPMS Library - Week 19, 2026

Article

Product

Application

Video

Science and research

Software

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. 

Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences

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Wiley

DataApex Clarity Offline Chromatography Software

Clarity Offline allows users to import previously acquired data and to evaluate and prepare methods in regulated environment.

Clarity Offline allows users to import previously acquired data and to evaluate and prepare methods. This version cannot acquire data, but it can share data or even directly access (through LAN) projects of the <a href="https://lcms.labrulez.com/products/999">Clarity</a> and Clarity Lite software. With Clarity Offline users are able to work with acquired data on additional computers in the lab or at home. The software works with the same files and provides the same outputs (printing and exporting) as Clarity and Clarity Lite.
Clarity Offline is intended for use as additional software that supplements Clarity and Clarity Lite. It can also be used to evaluate data from other manufacturers&#39; CDS.
<blockquote>
Ask for <a href="https://www.dataapex.com/product/clarity-demo">Clarity Demo version</a> which allows you to get your hands on software before purchase
</blockquote>
<h3>Main features</h3>
<ul>
<li>21 CFR Part 11 compliance: Clarity Offline contains all functions (Electronic Signatures, User Accounts, Audit Trail, etc.) for compliance with the 21 CFR Part 11 directive of the FDA. Clarity Offline can be used for evaluation in regulated environments.
</li>
<li>Networked Solution: Clarity Offline can access files of Clarity and Clarity Lite installed on networked computers. This enables evaluation of chromatograms, development of new methods, and printing reports on additional computers in the laboratory.
</li>
<li>Education: An additional field of use is in education. Students can process chromatograms that have been acquired from Clarity connected to a chromatograph using their Clarity Offline license. Thus they do not need a Clarity full license just for data evaluation.
</li>
<li>Data processing and evaluation from other chromatography software: Clarity Offline allows the import of data from other chromatography software using text or AIA import function. This allows the user to process and evaluate chromatograms acquired by other chromatography software.
</li>
<li>Offsite computer: Clarity Offline can be installed on any Windows computer, giving you anytime access to your chromatographic data (USB hardware key is required).
</li>
<li>Language Localizations available: Useful for non-English speakers. At the moment, there are French, German, Russian, Spanish, and Chinese localizations available in a single installation package. Simply switch to your preferred language anytime.
</li>
</ul>
<a href="https://www.dataapex.com/controls">List of supported instruments</a>
<a href="https://www.dataapex.com/product/clarity-std-compatibility">Compatible Windows OS and Hardware</a>
<a href="https://www.dataapex.com/product/clarity-21cfr-compliance">Clarity 21 CFR Part 11 compliance</a>

DataApex EA - Elemental Analysis Extension for Clarity

Using features that are specific to EA Analysis, such as Standard Table, automatic weight input from analytical balance and other improvements, EA Extension provides an interactive and automated tool for determining the Carbon, Hydrogen, Nitrogen, Oxygen, and Sulfur (CHNS-O) content of unknowns.

<h3>The extension for elemental analysis</h3>
EA Extension is a software module for Elemental Analysis. Determining the Carbon, Hydrogen, Nitrogen, Oxygen, and Sulphur (CHNS-O) content of unknowns is one of the most basic and essential needs of any chemist. It provides a simplified version of the <a href="https://icpms.labrulez.com/products/999">Clarity</a> user interface that speeds up the workflow with elemental analyzers equipped with autosamplers. Its user interface is optimized for maximum efficiency in repetitive tasks. Using features that are specific to EA Analysis, such as Standard Table, automatic weight input from analytical balance and other improvements, EA Extension provides an interactive and automated tool for determining the Carbon, Hydrogen, Nitrogen, Oxygen, and Sulfur (CHNS-O) content of unknowns.
<h3>Main features</h3>
<ul>
<li>Calibration: Simplified work with template method and calibration. One setting is shared for all samples in the same sequence.
</li>
<li>Standard Table: For your convenience, the software contains Standard Table with a list of the most commonly used calibration standards and their elemental composition.
</li>
<li>Reporting: Clarity EA supports the printing of user defined protocols. Its configuration is saved in a report style, which defines the content and form through the printout. Protocols can be printed to the PDF file.
</li>
<li>Analytical balance: The Clarity Elemental Analysis Software provides direct interface with the analytical balance (Sartorius and Mettler). After weighing the sample, the operator presses the print key on the balance (or uses software instruction) to directly transfer the sample weight to the software sample information field thereby eliminating any possible transcription errors.
</li>
<li>Sequence Table: Measurement is managed using the Sequence Table. The Summary Table displays results clearly. ASCII and AIA data formats can be exported or imported directly.
</li>
<li>Database: Results can be exported in the .txt and .dbf format.
</li>
</ul>

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>Mnova Gears | Real-Time &amp; Batch processes</h3><h4>Automation Workflows for All Your Analytical Data Processes</h4>Are you tired of the monotony of routine data processing? Mnova Gears (also known as Mgears) is here to free up your time for innovation and more engaging tasks. This comprehensive software suite, designed for building automation workflows, caters to your analytical data needs, spanning NMR, LC/GC-MS, and more. 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.Experience the flexibility, seamless integration with your existing architecture, and the customizable nature of Mnova Gears. Like Mnova, it remains vendor-neutral, adapting to your unique requirements. Elevate your analytical data processes—automate with Mnova Gears!<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!"><blockquote><h4><a target="_blank" rel="noopener noreferrer" href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwsl4">Visit Mestrelab Research Mnova Gears product page to learn more!</a></h4></blockquote><h4>What’s new in Mnova Gears 2.5?</h4>Mnova Gears 2.5 has been released with Mnova 15 introducing a range of new capabilities:<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>Upgrade to Mgears 2.5 now to explore these features and to unlock the full potential of data automation.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">Affinity Selection Mass Spectrometry</a> analyses.<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!"><h3>Mnova Gears products and how they relate to one another!</h3><h4><a target="_blank" rel="noopener noreferrer" href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwsl4">Mnova Gears</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">Mnova MyGears</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">Mnova Gears Bricks</a></h4><ul><li>Build automation workflows using the following Gears bricks</li></ul><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."><blockquote><h4>Want to run a 45-day FREE trial?</h4><h4><a target="_blank" rel="noopener noreferrer" href="http://www2.mestrelab.com/l/271522/2024-04-10/3p2gsh">CONTACT AN EXPERT</a></h4></blockquote><h3>Intuitive 5-Step workflow!</h3><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."><h4>Mnova Gears Benefits</h4><ul><li>Automate routine processes and workflows, saving valuable specialist time.</li><li>Create and manage end-to-end workflows seamlessly within a single tool.</li><li>Streamline multiple analytical workflows on a common, user-friendly platform.</li><li>Customize workflows by selecting components tailored to specific needs.</li><li>Enjoy flexibility and configurability, allowing seamless integration with existing infrastructure.</li><li>Collaborate with different systems in an unified environment due to vendor independence.</li><li>Leverage the familiarity with the Mnova interface to deploy and adopt automation solutions by your team without an extensive learning curve.</li><li>Benefit from expedited product support and development, consolidating all your automation analyses in one software suite.</li></ul><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"><h4>Mnova Gears Features</h4><h5>Powerful Automation Capabilities for Comprehensive Data Tasks</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>Automatic Reporting and Archiving</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>A User-Friendly Result Viewer with Graphical Dashboards for Rapid and Easy Data Review</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>Multi-Technique and Multi-Application Analytical Workflows</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">full list of applications</a> for comprehensive coverage.</li></ul><h3>Markets</h3><h5>Academic, Government &amp; Industrial</h5><h4>PRACTICAL APPLICATIONS</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>

Thermo Scientific Qtegra Intelligent Scientific Data Solution Software

The Thermo Scientific™ Qtegra™ Intelligent Scientific Data Solution (ISDS) Software is a software platform built on four pillars.

The Thermo Scientific™ Qtegra™ Intelligent Scientific Data Solution (ISDS) Software is a software platform built on four pillars, designed to deliver a complete solution for laboratories depending on productivity, scalability, and quality results to achieve their goals.<h5>Intelligent</h5>Built-in intelligence facilitates the full workflow from sample to results. Laboratories can be more reactive and profitable, with software that facilitates data driven decisions more efficiently.<h5>Scientific</h5>Developed with scientific integrity, Qtegra ISDS Software delivers high quality, reliable data that labs can trust. Data transparency lets laboratory personnel focus on other tasks while ensuring the utmost confidence in scientific collaboration.<h5>Data</h5>Data is the key to success for all laboratories. Qtegra ISDS Software can help labs excel at efficiently delivering consistent and relevant results with extensive tools to effectively acquire and manage data.<h5>Solution</h5>Laboratories can enjoy the familiarity of common software across multiple analytical systems while differentiating their offering through customizable and application specific workflows.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Thermo_Scientific_Qtegra_Intelligent_Scientific_Data_Solution_Software_2_78dbb0f7f5.jpg" alt="Thermo Fisher Scientific: Thermo Scientific Qtegra Intelligent Scientific Data Solution Software" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Thermo_Scientific_Qtegra_Intelligent_Scientific_Data_Solution_Software_2_78dbb0f7f5.jpg 217w," sizes="100vw" width="1535" height="1101"><h4>Routine analysis</h4>High-throughput production and contract testing laboratories benefit from the assistance and economy imparted through Qtegra ISDS Software. The design facilitates integration in a growing lab ecosystem, while intuitive workflow features, interference management and pertinent data visualization lets laboratories acquire and interpret data confidently, quickly, and with ease. Laboratories performing routine testing can ensure profitability through productivity, quality data, and right first-time analysis.<h4>Scientific research</h4>Researchers looking to push the boundaries of innovation in their field can focus intently on science, confident in the knowledge that Qtegra ISDS Software provides flexibility of customized configurations with multiple acquisition modes and data processing tools to probe and access new data. Within a framework that is exceptionally easy to set up and switch between configurations, Qtegra ISDS Software enables research labs with multiple users to focus on the data rather than the analysis.<h4>Regulated industries</h4>Food, environmental and pharmaceutical QA/QC are amongst the sectors that are constantly being challenged to meet rising standards of quality and to comply with rigorous regulatory requirements, whether they be analytical or procedural. Qtegra ISDS Software recognizes these challenges and includes the necessary tools for laboratories to rapidly meet their compliance goals.<h4>Integrated lab assistant saves time, simplifies sample preparation, and intelligently assists data analysis.</h4><ul><li>Lab is quickly alerted to QC anomalies and samples above Maximum Allowable Concentrations.</li><li>Integrated, flexible QA/QC protocols minimize failures and prevent costly re-runs.</li><li>Intuitive color-coding of data and reports aids faster interpretation and decision making.</li><li>Calculations are transparently applied in real time and can be audited easily.</li><li>Prescriptive sample dilutions save labor and mitigate errors.</li><li>Intelligent uptake and rinses optimize throughput and limit carryover challenges.</li><li>Intelligent over-range autodilution of high concentration samples automatically generates usable data without user input or delays</li></ul><h4>It’s not just about finding answers, it’s about finding the right answers</h4>Qtegra ISDS Software helps labs achieve consistently accurate results through Interference Management. Many analytical techniques are prone to interferences that are difficult to remove. Qtegra ISDS Software can help identify and automatically mitigate interferences with full visibility.The Reaction Finder method development assistant for Thermo Scientific™ TQ-ICP-MS analyzers intelligently selects the optimal measurement mode settings based on method analytes, removing the complexity from TQ technology and dramatically decreasing method development time.Interelement correction (IEC) for the Thermo Scientific™ iCAP™ PRO Series ICP-OES provides the ability to correct for interferences based on intensity or concentration and conform with regulatory methods, such as EPA Method 200.7.<h4>Gain deeper insights and accelerate innovation with the flexibility of different data evaluation modes and specific workflows.</h4><h4>IRMS Chromatogram</h4>Enjoy simple and reliable compound-specific IRMS or trace elemental speciation with a fully integrated workflow including chromatographic device control and dedicated chromatographic data processing.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Thermo_Scientific_Qtegra_Intelligent_Scientific_Data_Solution_Software_IRMS_Chromatogram_7b0a3b5376.jpg" alt="Thermo Fisher Scientific: Thermo Scientific Qtegra Intelligent Scientific Data Solution Software - IRMS Chromatogram" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Thermo_Scientific_Qtegra_Intelligent_Scientific_Data_Solution_Software_IRMS_Chromatogram_7b0a3b5376.jpg 245w," sizes="100vw" width="615" height="331"><h4>Laser ablation</h4>Expand capabilities in spatial and depth characterization with solutions to integrate laser ablation systems and split-flow analysis with third-party plug-ins and laser ablation specific data evaluation.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Thermo_Scientific_Qtegra_Intelligent_Scientific_Data_Solution_Software_Laser_ablation_63e97c2a0a.jpg" alt="Thermo Fisher Scientific: Thermo Scientific Qtegra Intelligent Scientific Data Solution Software - Laser ablation" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Thermo_Scientific_Qtegra_Intelligent_Scientific_Data_Solution_Software_Laser_ablation_63e97c2a0a.jpg 245w," sizes="100vw" width="613" height="338"><h4>Single particle</h4>Explore the expanding fields of single cell and nanoparticle analysis with automated workflows and dedicated sample handling packages.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Thermo_Scientific_Qtegra_Intelligent_Scientific_Data_Solution_Software_Single_particle_72be4bfa52.jpg" alt="Thermo Fisher Scientific: Thermo Scientific Qtegra Intelligent Scientific Data Solution Software - Single particle" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Thermo_Scientific_Qtegra_Intelligent_Scientific_Data_Solution_Software_Single_particle_72be4bfa52.jpg 245w," sizes="100vw" width="615" height="329"><h4>How do you manage large volumes of data in your laboratory?</h4>Leverage data management and flexible and intuitive data processing tools within Qtegra ISDS Software to excel at delivering consistent data on time.<h5>Data security</h5>Be confident with the knowledge that all data is secure and encrypted, yet easily accessible. The Qtegra ISDS Software LabBook concept ensures the whole analytical workflow from samples to results is stored in one secure container.<h5>LIMS integration</h5>Complete analysis descriptions can be directly imported into Qtegra ISDS Software, eliminating additional user input. Full results, both analytical and metadata, are immediately available after analysis for rapid turnaround of results.<h5>Data visualization</h5>Access relevant data quickly, with flexibility to dig deeper when needed, enabling quicker decisions and efficiency.<h5>Enhanced LabBook query</h5>Combine data across LabBooks for method validation, long-term performance, or finding relationships and gaining deeper insights into data.<h5>Flexible data export</h5>Export data in the format you need for archiving, reporting, or further data processing and interrogation.<h5>Comprehensive data reporting</h5>Automated report generation makes data management effortless. Customize report formats to fit with the needs of your customers.<h5>Data management</h5>Store and manage data effortlessly with an intuitive file browser.<h5>User management</h5>Control access for up to 5 user levels with comprehensive user management.

Mestrelab Mnova Advanced Chemometrics software

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

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

Mestrelab Mnova Verify software

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

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

Mestrelab Mnova DB software

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

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

DataApex Clarity Chromatography Software

Clarity is a chromatography data software for data acquisition, processing, and instrument control in regulated environment. Clarity is a flexible solution for devices from different vendors, supporting different applications.

Optional control modules provide integrated control of selected instruments such as GCs, LCs, pumps, detectors, autosamplers, etc. Extensions provide functions for specific separation techniques or calculations such as PDA, GPC analysis, Mass spectrometry, or SST. Clarity can run in English, French, German, Russian, Spanish, and Chinese language. Support technicians and developers are close to their users and ready to provide extensive Support from DataApex.
<blockquote>
Ask for <a href="https://www.dataapex.com/product/clarity-demo">Clarity Demo version</a> which allows you to get your hands on software before purchase
</blockquote>
<h3>Main features</h3>
<ul>
<li>Measuring: Simultaneous data acquisition from up to four independent chromatographs, each chromatograph can acquire data from up to 32 detectors.
</li>
<li>Integration: There is an extensive possibility to modify chromatograms. The chromatogram can be changed by entering global parameters or interactively through direct graphic modification of the baseline.
</li>
<li>Overlay: Simultaneously displays a virtually unlimited number of chromatograms and their mathematical modification; for example, mutual deductions or derivations of any order.
</li>
<li>Calibration: Internal and external standard calculation methods, calibration of groups of peaks, and reference peaks method for better identification.
</li>
<li>Wide range of supported instruments: Control modules in Clarity allow users to control various instruments in their lab. See our growing <a href="https://www.dataapex.com/controls">List of supported instruments</a>.
</li>
<li>Extensions completing your workflow: Clarity Extensions integrates your workflow into one application. GPC calculations, PDA data processing, gas or detailed hydrocarbon analyses according to selected norms, and much more.
</li>
<li>Automated measuring support: Sequence tables for any set of samples with or without an autosampler.
</li>
<li>Postrun: Automatically displays, prints, exports, and starts other programs after the completion of a measurement.
</li>
<li>Summary result tables: Displays and prints selected results from all simultaneously displayed chromatograms.
</li>
<li>User settings: User selects parameters for peak display and the specification for axes, including color from an extensive array of color settings. Text labels and lines, either as part of the area or anchored to a chromatogram, may also be inserted.
</li>
<li>Export: Optional exportation of all results, with or without the chromatogram, in various formats, into a file or clipboard.
</li>
<li>Import: Imports chromatograms or mathematical curves, which have been saved in text or AIA formats, from other programs.
</li>
<li>LIMS: Clarity offers connectivity with LIMS, both for sample submission and result output. This can be done via convenient ASCII transfers.
</li>
<li>Method and calibration history: Each chromatogram can easily be displayed under the same conditions as when it was printed, exported, or saved.
</li>
<li>Column performance: Calculations of peaks in terms of symmetry, efficiency, resolution; all by several methods (tangent, moments, etc.).
</li>
<li>Batch: Automatically batch processes, displays, exports, or prints any number of chromatograms.
</li>
<li>User calculations: Users can define custom calculations in the Result and Summary tables. Using the integrated editor, you can create your own columns from original columns and individual mathematical functions.
</li>
<li>User accounts: Sets up access rights and passwords (including their parameters, e.g., minimum length, validity, etc.). Each user can define his or her own appearance of the software.
</li>
<li>Audit trail: Records selected events and operations into a special file. Records selected operations directly into a chromatogram.
</li>
<li>Electronic signature: Each chromatogram can be signed electronically. Signature selection is based on the username or the signature certificate.
</li>
<li>Networked Solution: Clarity chromatography software files can be accessed from networked computers using Clarity Offline software. This enables the offline evaluation of chromatograms, development of new methods, and printing reports. See the <a href="https://gcms.labrulez.com/products/1000">Clarity Offline</a> for more details.
</li>
<li>Language Localizations available: Useful for non-English speakers. At the moment, there are French, German, Russian, Spanish, and Chinese localizations available in a single installation package. Simply switch to your preferred language anytime.
</li>
<li>Competitive approach: The chromatography market offers many specialized HPLC data systems or GC data systems; these are often provided with the purchased instrument. It is usually complicated to integrate such software into the workflow of the laboratory since they do not enable direct control of additional instruments. Compared to other small-scale solutions, Clarity offers a wide range of directly controlled instruments as well as optional Extensions for specific separation techniques. On the other hand, complex solutions with a wide scope of features and scalable design are quite expensive, which is a limiting factor for many customers. Another drawback of the large solutions is their complexity which imposes high demands on users. Compared to this, Clarity represents a scalable medium-ranged solution with a steep learning curve and competitive prices.
</li>
</ul>
<h3>Clarity configurations examples</h3>
<h4>One chromatograph with two detectors</h4>
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Data_Apex_Clarity_Chromatograficky_Software_Clarity_configurations_examples_One_chromatograph_with_two_detectors_ae482b83b8/DataApex-Clarity-Chromatograficky-Software-Clarity-configurations-examples-One-chromatograph-with-two-detectors.jpg" alt="DataApex Clarity Chromatography Software: Clarity configurations examples - One chromatograph with two detectors.jpg"/>
<ul>
<li>The HPLC measures on two detectors. Clarity will acquire two separate signals sharing a common timebase (synchronized START/STOP). A resulting chromatogram will contain two signals.</li>
</ul>
<h4>Two chromatographs, one with multiple detectors</h4>
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Data_Apex_Clarity_Chromatograficky_Software_Clarity_configurations_examples_Two_chromatographs_one_with_multiple_detectors_b21dc07faf/DataApex-Clarity-Chromatograficky-Software-Clarity-configurations-examples-Two-chromatographs-one-with-multiple-detectors.jpg" alt="DataApex Clarity Chromatography Software: Clarity configurations examples - Two chromatographs, one with multiple detectors.jpg"/>
<ul>
<li>This example displays a configuration with two chromatography systems (GC + HPLC) where the HPLC system uses multiple detectors. All the detectors attached to the HPLC Instrument will share common timebase (synchronized START/STOP). The GC detector will be independent.</li>
</ul>
<h4>Two chromatographs, one digital control</h4>
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Data_Apex_Clarity_Chromatograficky_Software_Clarity_configurations_examples_Two_chromatographs_one_digital_control_1bf9cec334/DataApex-Clarity-Chromatograficky-Software-Clarity-configurations-examples-Two-chromatographs-one-digital-control.jpg" alt="DataApex Clarity Chromatography Software: Clarity configurations examples - Two chromatographs, one digital control.jpg"/> This example displays a configuration with two chromatography systems (GC + LC). The GC is connected and controlled via digital interface *, using a GC Control appropriate module.
<h4>Four chromatographs with autosampler each</h4>
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Data_Apex_Clarity_Chromatograficky_Software_Clarity_configurations_examples_Four_chromatographs_with_autosampler_each_945873d808/DataApex-Clarity-Chromatograficky-Software-Clarity-configurations-examples-Four-chromatographs-with-autosampler-each.jpg" alt="DataApex Clarity Chromatography Software: Clarity configurations examples - Four chromatographs with autosampler each.jpg"/>
<ul>
<li>This example displays a configuration with two chromatography systems (GC + LC). The GC is connected and controlled via digital interface *, using a GC Control appropriate module.</li>
</ul>
<a href="https://www.dataapex.com/controls">List of supported instruments</a>
<a href="https://www.dataapex.com/product/clarity-std-compatibility">Compatible Windows OS and Hardware</a>
<a href="https://www.dataapex.com/product/clarity-21cfr-compliance">Clarity 21 CFR Part 11 compliance</a>

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