ISC 2026 - Day 2

<h4><strong>What if you could compress 179 days of grueling laboratory workflow into just 14 hours?</strong></h4><p><strong>In this episode of ‪ChromatographyTalk‬, ‪Organomation‬ General Manager David Oliva sits down with analytical chemist Laura Penabad to discuss her groundbreaking new research in biocatalysis and high-throughput screening. Evolving engineered enzymes typically requires checking thousands of variants—a massive bottleneck when traditional Liquid Chromatography-Mass Spectrometry (LC-MS) runs take minutes per sample. Laura reveals how her team built a modular screening platform that shatters this limitation, running samples 128 times faster than standard methods without sacrificing analytical accuracy.</strong></p><p>Laura breaks down the "orchestra" of technologies making this possible, including coupling nanoliter droplet microfluidics with Cyclic Ion Mobility-Mass Spectrometry (cIM-MS) to separate complex chemical isomers in milliseconds. She also shares the chaotic but triumphant behind-the-scenes stories of her PhD journey—from presenting a "comically bad" early poster at ASMS to recruiting an undergraduate mechanical engineer to build custom automation software from scratch.</p><p>If you are an early-career researcher, a mass spec enthusiast, or curious about the future of synthetic biology and machine learning in chemistry, this episode is packed with invaluable intuition and advice.</p><h3><strong>Video Transcription</strong></h3><h4><strong>From Months to Hours: Droplet Ion Mobility–MS for Biocatalysis Screening</strong></h4><p><strong>High-throughput screening is central to directed enzyme evolution, but conventional analytical workflows can create a difficult compromise: extremely fast screens often provide limited structural information, while techniques such as LC-MS offer much richer chemical insight at the cost of throughput. In a recent interview, analytical chemist Laura described how her work with droplet-based cyclic ion mobility mass spectrometry is helping bridge that gap—providing rapid analysis while retaining the ability to distinguish structurally similar products.</strong></p><p>Her research grew from an initially modest proof of concept into a screening platform capable of analyzing a 96-well plate in roughly ten minutes. The resulting workflow was approximately <strong>128 times faster than a conventional three-minute LC-MS analysis</strong>, opening new possibilities for directed evolution campaigns in which thousands of enzyme variants need to be evaluated.</p><h4>Directed evolution needs better analytical screening</h4><p>Biocatalysis takes advantage of enzymes as highly selective catalysts capable of performing reactions under relatively mild conditions. Directed evolution extends those capabilities by deliberately modifying enzyme sequences, expressing large numbers of variants, screening their activity, and using the best-performing mutants as starting points for subsequent rounds of evolution.</p><p>The process can be repeated multiple times, progressively steering an enzyme toward improved activity, altered substrate specificity, or even chemistry that does not occur naturally.</p><p>But the effectiveness of directed evolution depends heavily on the screening step. The more variants that can be analyzed—and the more useful chemical information that can be collected for each one—the more effectively researchers can explore the enormous sequence space available to an enzyme.</p><p>For Laura, this created a clear analytical challenge: develop a screening platform that was substantially faster than conventional chromatographic analysis without sacrificing the structural discrimination needed for chemically similar products.</p><h4><strong>From an imperfect first experiment to a working platform</strong></h4><p>The project did not begin with a polished high-throughput workflow.</p><p>Laura recalled looking back at her <strong>2023 ASMS poster</strong>, where the early system was still working with standards rather than true isomeric samples. Droplet introduction was slow—around six seconds per droplet—and the signals were far from the ideal reproducible, square, flat-topped profiles expected from replicate droplets.</p><p>Nevertheless, simply producing a droplet signal represented an important first milestone.</p><p>The decisive change came when the project stopped being treated merely as a demonstration that droplet ion mobility–MS could work and instead became a deliberate effort to build a <strong>robust screening platform</strong>.</p><p>Laura approached the problem in modules. First came reliable droplet introduction. Then the ion mobility separation method. Quantification became another independent component. Matrix effects were introduced later, gradually making the system resemble the conditions expected with real screening samples.</p><p>Each layer was tested before another was added.</p><p>This stepwise strategy became one of the central principles of the project: rather than attempting to optimize the entire system simultaneously, individual components were developed, challenged, and then assembled into an increasingly realistic workflow.</p><h4><strong>Finding the middle ground between speed and structural information</strong></h4><p>One of the biggest analytical problems in high-throughput screening is distinguishing products with the same nominal or exact mass.</p><p>Constitutional isomers may contain the same atoms and therefore generate the same mass-to-charge ratio, while differing only in how functional groups are arranged within the molecular structure. Very rapid optical or mass-based screens may therefore struggle to distinguish them.</p><p>Traditional LC-MS can solve many of these problems through chromatographic separation, but a several-minute analysis rapidly becomes impractical when thousands of enzyme variants must be screened.</p><p>Ion mobility offered Laura’s team another option.</p><p>Rather than separating compounds on a chromatographic timescale, ion mobility can differentiate ions according to their gas-phase behavior on a much shorter timescale. In the workflow described in the interview, this created a useful compromise: not the kilohertz throughput possible with some simple screening technologies, but dramatically faster structural differentiation than conventional LC-MS.</p><p>The goal was therefore not simply to achieve the fastest possible screen, but to find a <strong>middle-throughput analytical regime with enough resolving power to answer chemically meaningful questions</strong>.</p><h4><strong>A 96-well plate in about ten minutes</strong></h4><p>That strategy eventually produced one of the most striking results of the project.</p><p>The droplet cyclic ion mobility–MS platform processed a <strong>96-well plate in roughly ten minutes</strong>, while maintaining quantitative results comparable with the conventional LC-MS workflow used for comparison. According to the interview, this represented an approximately <strong>128-fold increase in analysis speed relative to a three-minute LC-MS run</strong>.</p><p>Laura described the successful plate experiment less as a surprise than as confirmation that the modular development strategy had worked.</p><p>Before reaching that point, the workflow had already been challenged through a sequence of increasingly demanding experiments: droplet formation, ion mobility separation, calibration, matrix-containing calibration, and cross-testing analytes at different concentrations. By the time the complete plate was analyzed, each individual part of the analytical system had already been tested under progressively more realistic conditions.</p><h4><strong>What does that speed mean for directed evolution?</strong></h4><p>The impact becomes even clearer when the workflow is considered at the scale of an entire directed-evolution campaign.</p><p>Laura’s manuscript estimated that a <strong>five-round campaign involving 5,000 variants would require approximately 179 days using the conventional LC-MS workflow but only about 14 hours using the new platform</strong>.</p><p>Compressing months of analytical work into less than a day has consequences beyond laboratory productivity.</p><p>It allows researchers to screen more enzyme variants and therefore sample a larger portion of sequence space. But the resulting datasets may also become increasingly valuable for computational approaches.</p><p>Rather than retaining information only about the best-performing enzyme variant, researchers can preserve data describing variants that performed poorly as well as those that succeeded. When genotype and phenotype information remain linked through the well-plate workflow, these larger datasets can potentially provide richer input for machine-learning models designed to guide subsequent rounds of enzyme evolution.</p><p>Faster analysis therefore does more than accelerate an existing experiment—it can change the scale and design of the experiment itself.</p><h4><strong>Balancing ion mobility resolution and signal</strong></h4><p>Increasing cyclic ion mobility separation time can improve resolution, but it also introduces an important trade-off: additional passes can reduce signal.</p><p>Laura optimized this balance experimentally by continuously infusing mixtures containing both isomers and progressively adjusting the ion mobility conditions. After tuning parameters such as wave height and velocity, increasing the separation to <strong>three passes</strong> provided baseline resolution at the high analyte concentrations used during method development.</p><blockquote><p><strong>Concentration, however, also mattered.</strong></p></blockquote><p>At higher ion populations, space-charge effects could broaden peaks and reduce the baseline separation. This meant that the optimal number of passes could not be selected independently of the concentration range required by the final assay.</p><p>Her broader advice for optimization is therefore application-driven: decide first what the analytical method actually needs to accomplish.</p><p>More speed will almost always require sacrificing something—resolution, signal intensity, quantitative precision, or another performance parameter. The key is to identify which compromise the application can tolerate and then optimize the system around that requirement.</p><h4><strong>Solving droplet carryover with a practical compromise</strong></h4><p>Droplet-based workflows present their own engineering challenges, including carryover between neighboring samples.</p><p>In Laura’s system, analytes showed little tendency to partition into the fluorinated oil separating aqueous droplets within the Teflon tubing. The more troublesome carryover occurred closer to electrospray ionization, where a small amount of sample could remain associated with the interface and appear when the next droplet arrived.</p><p>Rather than adding excessive engineering complexity to an already elaborate platform, the researchers adopted a pragmatic solution: a <strong>sacrificial wash droplet</strong> between analytical samples.</p><p>It is an example of a recurring theme throughout the project. The objective was not to construct the theoretically most sophisticated droplet system, but to create a screening workflow that remained sufficiently robust, reproducible, and practical for large numbers of samples.</p><h4><strong>High-throughput analysis also requires high-throughput data processing</strong></h4><p>Accelerating the mass spectrometry experiment created another bottleneck: the data.</p><p>The instrument produced a continuous intensity-versus-time trace rather than a neatly organized well-plate dataset. With small experiments, Laura could manually identify individual droplets and process the results in spreadsheets. That approach quickly became unrealistic as sample numbers increased.</p><p>The solution emerged through collaboration with an undergraduate mentee, Aiden, who helped develop a dedicated software tool for processing the continuous traces.</p><p>Laura defined how the software should behave and how the analytical information should be organized, while Aiden developed the computational implementation. The workflow itself was subsequently adjusted to make automated data processing more reliable—for example, by introducing marker columns that allowed the software to recognize the end of each plate row.</p><p>The resulting tool can accept the acquired traces together with information about plate dimensions and replicates and automatically return parameters including <strong>peak identity, duration, and the corresponding well position</strong>. A later version also generated an automatically populated heat map.</p><p>The experience illustrates how improving analytical throughput often requires simultaneous development of instrumentation, experimental design, and informatics. Making the measurement faster is useful only if the resulting data can be processed at a comparable speed.</p><h4><strong>Mentoring became part of the scientific process</strong></h4><p>The software project also reflects another theme Laura emphasized throughout the interview: the value of mentoring.</p><p>Several younger researchers contributed directly to the development of the final platform. Laura described mentees not simply as additional hands in the laboratory but as scientists capable of proposing their own hypotheses and experimental ideas.</p><p>Working with undergraduate researchers also influenced the way she organized experiments.</p><p>Because their available laboratory time was limited, each task needed to have a clear purpose. That encouraged a more disciplined approach to experimental planning: instead of performing experiments simply because they could be done, the team had to ask which experiment would most efficiently answer the next important question.</p><p>In that sense, mentoring became another mechanism for improving the research itself.</p><h4><strong>The next step: continuous, automated screening</strong></h4><p>Despite the dramatic increase in analytical speed, the current workflow still includes manual operations such as loading tubing and connecting the sample stream to the mass spectrometer.</p><p>The next engineering challenge is therefore automation.</p><p>Laura described ongoing work using the <strong>Venturi effect</strong> to pull samples directly from wells into the droplet system. Building on previous work in the laboratory with 96-well plates, she has already tested this approach with as many as <strong>2,000 samples</strong>.</p><p>The long-term direction is clear: continuous and robust droplet generation, automated handling of thousands of samples, rapid ion mobility separation, mass spectrometric detection, and automated reconstruction of the resulting data into plate-based outputs.</p><p>Combining those elements could move the system closer to the type of large-scale screening required for increasingly ambitious biocatalysis campaigns.</p><h4><strong>Learning mass spectrometry one problem at a time</strong></h4><p>Laura also reflected on the broader experience of developing the platform during her PhD.</p><p>Ion mobility and mass spectrometry initially appeared intimidating, particularly because they combine concepts from analytical chemistry, physical chemistry, separations, instrumentation, and electrical engineering. What eventually changed was not simply learning more facts, but developing the ability to move repeatedly between theory and experiment.</p><p>An unexpected result sends the researcher back to the underlying theory. A better understanding suggests a modified experiment. That experiment creates another observation, gradually building intuition about how the system behaves.</p><p>Her advice to early-career scientists is therefore to accept that this process takes time.</p><p>Advanced analytical techniques may initially appear overwhelming, but understanding develops incrementally through repeated interaction between theory, experimentation, failure, and refinement. Equally important, she emphasized the role of the supportive ion mobility–mass spectrometry community in making a technically demanding field more approachable for young researchers.</p><p>From the first inconsistent droplets to a platform capable of processing thousands of samples, that iterative mindset ultimately shaped the entire project.</p><blockquote><p><strong>This text has been automatically transcribed from a video presentation using AI technology. It may contain inaccuracies and is not guaranteed to be 100% correct.</strong></p></blockquote><blockquote><h4><strong>Concentrating on Chromatography Podcast</strong></h4><p>Dive into the frontiers of chromatography, mass spectrometry, and sample preparation with host David Oliva. Each episode features candid conversations with leading researchers, industry innovators, and passionate scientists who are shaping the future of analytical chemistry. From decoding PFAS detection challenges to exploring the latest in AI-assisted liquid chromatography, this show uncovers practical workflows, sustainability breakthroughs, and the real-world impact of separation science. Whether you’re a chromatographer, lab professional, or researcher you'll discover inspiring content!</p><p>You can find <strong>Concentrating on Chromatography Podcast </strong>in podcast apps:</p><ul><li><a target="_blank" rel="noopener noreferrer" href="https://open.spotify.com/show/1wZg67rCjoGju4yhqxI3tL"><strong>Spotify</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://podcasts.apple.com/tz/podcast/concentrating-on-chromatography/id1788429185"><strong>Apple podcast</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://podscan.fm/podcasts/concentrating-on-chromatography"><strong>podscan</strong></a></li></ul><p>and on <a target="_blank" rel="noopener noreferrer" href="https://www.youtube.com/@ChromatographyTalk/videos"><strong>YouTube channel</strong></a></p></blockquote>

Droplet Cyclic Ion Mobility Mass Spec: Compressing Months of Enzyme Screening Into Just 14 Hours

ISC 2026 - Day 3

Article

Events

Video

Scientists

Interview

The International Symposium on Chromatography (ISC) represents the oldest conference series focussing on separation science. ISC symposia have been organised since 1956 in each even year. ISC is internationally recognised as one of the premier meeting series for discussion of all modes of chromatography and separation science with a broad coverage of techniques and applications.

International Symposium on Chromatography - (ISC)

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

Organomation

Mestrelab Mnova Gears – Fraction Analysis software

The tool will evaluate the number and size of peaks present in each fraction, match and assign your target peak, calculate its purity, then score and report the results automatically.

<h3><strong>Automated evaluation of collected elution fractions for decision making</strong></h3>
<p>To pool or not to pool? This may be a tricky question when more than one fraction has been collected for your sample during preparative chromatography.</p>
<p><strong>Fraction Analysis</strong> will help you answer it quickly by <strong>automating the analysis of fractions</strong> and suggesting the most appropriate action to take. The tool will evaluate the <strong>number and size of peaks</strong> present in each fraction, match and <strong>assign</strong> your <strong>target peak</strong>, <strong>calculate its purity</strong>, then score and <strong>report the results automatically</strong>. After Fraction Analysis, you will be able to quickly review the results dashboard and pass the selected fraction to downstream quality control processes.</p>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Gears_Fraction_Analysis_software_Improve_your_chromatography_outcome_by_taking_informed_decisions_on_pooling_b5ede04d20.jpg" alt="Mestrelab Research: Mnova Gears - Fraction Analysis software: Improve your chromatography outcome by taking informed decisions on pooling, or otherwise, the eluate fractions!"/></p>
<blockquote>
<h3><a href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwskm"><strong>Visit MestreLab Research Mnova Gears – Fraction Analysis product page to learn more!</strong></a></h3>
</blockquote>
<h3><strong>Fraction Analysis Benefits</strong></h3>
<ul>
<li>Huge <strong>time savings on spectral data analysis</strong> and preparation of <strong>professional-looking reports</strong> with the results</li>
<li><strong>Reduce the risk of pooling</strong> a pure eluate fraction with a poor-quality one</li>
<li>Bring <strong>insight into the results</strong> and decide whether to <strong>stick to the suggested action or manually override</strong> it</li>
</ul>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Best_Method_software_2_8cff8a724b.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears – Fraction Analysis software."/></p>
<h3><strong>Fraction Analysis Features</strong></h3>
<ul>
<li><strong>Automated data ingestion, processing, analysis, and report generation</strong></li>
<li><strong>Powerful scoring</strong> based on peak number, size, and target mass purity</li>
<li><strong>Flexible analysis</strong> options</li>
<li><strong>Color coded</strong> dashboards and tables with analysis <strong>results</strong></li>
<li><strong>Automatic</strong>, data-driven <strong>suggestion for</strong> subsequent <strong>action</strong> (to keep and QC, or dispose of or review the elution fraction)</li>
<li><strong>Possibility to override</strong> the automatically generated results</li>
<li>Summary <strong>CSV output</strong> with results that can be used as input files for the next-stage analysis</li>
</ul>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Gears_Fraction_Analysis_software_1_d59b34f8a9.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears - Fraction Analysis software."/></p>
<h3><strong>Purification Workflow</strong></h3>
<h4><strong>More Automation</strong></h4>
<p>Looking for an enterprise-level solution for improving your purification and data management procedures? Check the <a href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwskj"><strong>Best Method</strong></a> and <a href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwskq"><strong>Quality Control</strong></a> bricks that also run in full automation, and learn more about our automated databasing solution with Mgears. You have the complete flexibility to combine and adapt these solutions to your standard procedures to reap even more benefits for your organization.</p>
<p><a href="http://www2.mestrelab.com/l/271522/2024-04-10/3p2gsh"><strong>Contact us</strong></a> for more information.</p>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Best_Method_software_4_f25f63daa7.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears – Fraction Analysis software."/></p>
<h3><strong>Markets</strong></h3>
<p>Academic, Government &amp; Industrial</p>
<h4><strong>Who should be using Fraction Analysis?</strong></h4>
<p>Organic chemists, analysts, QC experts, and researchers using quantitative chromatographic methods for quality control, concentration/purity determination, or monitoring/optimization of reactions in one of the following markets and applications:</p>
<ul>
<li>Pharmaceutical/Drug development industry</li>
<li>Food &amp; Beverage industries</li>
<li>Personal care and Cosmetics</li>
<li>Fine chemical synthesis industries</li>
<li>Polymer industries</li>
<li>Academic research laboratories</li>
<li>Contract Research Organizations (CROs) offering purification services</li>
<li>Compound purification for subsequent use in studies or commercialization</li>
<li>Isolation of unknown impurities in finished products, natural products, or in the environment for structural disclosure, study, etc.</li>
<li>Chiral separation to remove unwanted enantiomers obtained during organic synthesis</li>
</ul>


Mestrelab Mnova Gears – Chrom QC software

This automation tool will run end-to-end QC workflows for you and deliver decision-enabling reports with all the results you’ll need.

<h3><strong>Automated workflow for high throughput quality control using LC/GC-MS</strong></h3>
<p>Compound quality control can be challenging and time consuming when manual input for processing or result interpretation is needed. If you are an organic chemist, medicinal chemist, formulation scientist, or a quality specialist and want to analyze your compound libraries to assert compound identity and assess purity, Chrom QC is your best ally. This automation tool will run end-to-end QC workflows for you and deliver decision-enabling reports with all the results you’ll need.</p>
<p><strong>Chrom QC</strong> runs on the Gears automation engine, which means that <strong>any LC/GC-MS format can be handled</strong> independently from the instrument software packages. <strong>Data is automatically retrieved</strong> from your directories (in batches or real time), matched to the corresponding molecular structures, formulae, masses, etc., and <strong>analyzed</strong> to <strong>confirm compound identity</strong> and <strong>determine purities</strong>. Custom csv, html, mnova, and PDF <strong>reports</strong> can also be <strong>automatically generated</strong>, and results can be sent directly to your database! Even better, all of this can be achieved with only minimal setup effort!</p>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_QC_software_All_your_purity_analyses_in_a_single_software_package_ff88cd29f6.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears – Chrom QC software: All your purity analyses in a single software package!"/></p>
<blockquote>
<h3><a href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwskq"><strong>Visit MestreLab Research Mnova Gears – Chrom QC product page to learn more!</strong></a></h3>
</blockquote>
<h3><strong>Chrom QC Benefits</strong></h3>
<ul>
<li><strong>Quality control all your compounds using one software package</strong> that supports all the major proprietary LC-MS data formats – make your quality control independent of the devices used!</li>
<li>Streamline your lot and batch release programs by <strong>automating data processing</strong>, <strong>analysis</strong>, and <strong>report generation</strong></li>
<li>High-quality data in a timely manner to <strong>enhance your lab productivity</strong></li>
<li>Effective <strong>result visualization</strong> with possible <strong>manual review</strong></li>
<li><strong>Save your compound results in your Mnova databases on-the-fly</strong></li>
</ul>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Best_Method_software_2_8cff8a724b.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears – Chrom QC software."/></p>
<h3><strong>Chrom QC Features</strong></h3>
<ul>
<li><strong>Support to the majority of</strong> <a href="http://www2.mestrelab.com/l/271522/2024-04-10/3p2gs6"><strong>LC/GC-MS data formats</strong></a></li>
<li><strong>Automatic detection and matching of input data</strong> files with provided information</li>
<li><strong>Flexible peak identification</strong> methods using molecular structures, formulae and masses, or peak size</li>
<li>Possible <strong>extraction of multiple traces</strong> for purity and concentration calculations</li>
<li><strong>Automated reporting with customization</strong> options and use of design templates (html, mnova, PDF, csv)</li>
<li><strong>Color-coded plate view</strong> to enable review-by-exception of the results</li>
<li><strong>Manual peak selection</strong> tool for result correction</li>
<li><strong>Automatic result archiving and databasing</strong></li>
</ul>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_QC_software_d27c9333ee.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears – Chrom QC software."/></p>
<h3><strong>Purification Workflow</strong></h3>
<h4><strong>More Automation</strong></h4>
<p>Looking for an enterprise-level solution for improving your purification and data management procedures? Check the <a href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwskj"><strong>Best Method</strong></a> and <a href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwskm"><strong>Fraction Analysis</strong></a> bricks that also run in full automation, and learn more about our automated databasing solution with Mgears. You have the complete flexibility to combine and adapt these solutions to your standard procedures to reap even more benefits for your organization.</p>
<p><a href="http://www2.mestrelab.com/l/271522/2024-04-10/3p2gsh"><strong>Contact us</strong></a> for more information.</p>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Best_Method_software_4_f25f63daa7.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears – Chrom QC software."/></p>
<h3><strong>Markets</strong></h3>
<p>Academic, Government &amp; Industrial</p>
<h4><strong>Who should be using Chrom QC?</strong></h4>
<p>Organic chemists, analysts, QC experts, and researchers using quantitative chromatographic methods for quality control, concentration/purity determination, or monitoring/optimization of reactions in one of the following markets and applications:</p>
<ul>
<li>Pharmaceutical/Drug development industry</li>
<li>Food &amp; Beverage industries</li>
<li>Personal care and Cosmetics</li>
<li>Fine chemical synthesis industries</li>
<li>Polymer industries</li>
<li>Academic research laboratories</li>
<li>Contract Research Organizations (CROs)</li>
<li>Quality control of synthesized or acquired compounds prior to registration</li>
<li>Quality control of compound collections prior to use in biological assays</li>
<li>Quality control of finished compounds prior release to the market (drugs, food additives, preservatives, etc.)</li>
<li>Quality control for formulation optimization and definition of storage recommendations</li>
</ul>


Mestrelab Mnova Gears – Affinity Screen software

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

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


SciY Mnova Gears – Chrom Reaction Optimization software

With this new  Automated Software Solution for Chemical Reaction Optimization from Mnova Gears, determining the ideal reaction conditions becomes an easy, hassle-free, and quick task.

<h3><strong>Automated Software Solution for Chemical Reaction Optimization</strong></h3><p>With this new <strong>Automated Software Solution for Chemical Reaction Optimization</strong> from Mnova Gears, <strong>determining the ideal reaction conditions</strong> becomes an easy, hassle-free, and quick task. Chrom Reaction Optimization allows you to <strong>track</strong> a defined set of chemicals across <strong>multiple parallel reactions</strong> to compare their levels and <strong>conclude on the best experimental conditions</strong> to employ.</p><p>Set up your workflow from data pick-up to results drop-off, and scale it up as needed. <strong>Results</strong> are matched to the designed experimental points and are delivered <strong>in many formats</strong> including <strong>graphical visuals</strong> to enable quick and informed decision making.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Reaction_Optimization_software_Automate_data_processes_to_quickly_find_the_safest_most_efficient_c5ed26927d.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears – Chrom Reaction Optimization software: Automate data processes to quickly find the safest, most efficient, cost-effective synthetic schemes for your reactions."></p><blockquote><h3><a target="_blank" rel="noopener noreferrer" href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwsl1"><strong>Visit Mnova Gears – Chrom Reaction Optimization product page to learn more!</strong></a></h3></blockquote><h3><strong>Chrom Reaction Optimization Highlights</strong></h3><ul><li>Seamless <strong>handling of large chromatography datasets</strong> removing bottleneck related to high throughput experimentation approaches</li><li><strong>Robust and repetitive data management workflows</strong> that will replace the tedious manual processing required for each sample</li><li>Huge <strong>time saving</strong> by enabling review-by-exception strategy</li><li><strong>Control over results quality</strong> and easy detection and correction of errors that may occur during processing and analysis</li><li>Quick and <strong>confident decision making</strong> based on global and <strong>graphical reports</strong> with the analysis results</li><li><strong>Structured analytical data reporting and archiving</strong> to comply with standards</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Reaction_Optimization_software_features_a3c019c8e9.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears – Chrom Reaction Optimization software features."></p><h3><strong>Chrom Reaction Optimization Features</strong></h3><h4><strong>Fully customizable and reusable analysis methods</strong></h4><h5><strong>Reaction optimization input, data processing, analysis, reporting and results archiving is fully customizable to fit your needs.</strong></h5><p>Reaction optimization <strong>runs with the Mnova Gears</strong> platform and therefore benefits from the <strong>huge flexibility</strong> in input configuration which allows you to <strong>adapt analysis</strong> to your own data organization and formats. Input can come from disk directories or from the instrument in real time acquisition, and can be organized in many different ways. Mgears can be set to recognize and pick up the data for the analysis.</p><h5><strong>On the other hand, analysis options can be customized:</strong></h5><ul><li>Components to track/ignore</li><li>Compound matching options using structure or retention times</li><li>Analysis thresholds and controls, etc</li></ul><p>All analysis options can be saved, shared, and re-used in the future which allows huge time savings and robustness in the process.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Reaction_Optimization_software_Fully_customizable_and_reusable_analysis_methods_ad6b3b966c.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears – Chrom Reaction Optimization software: Fully customizable and reusable analysis methods."></p><h4><strong>Flag system for warnings about non-conformances</strong></h4><p>Analysis criteria can be defined by experts and colored <strong>flags configured to get warnings</strong> when sample analysis does not fulfill the specified requirements. For instance, a sample can be flagged when no peaks are detected, when component peaks overlap, and/or when RT variation exceeds an acceptable threshold.</p><p>Detecting these non-conformances is crucial to keep control over results quality. You can <strong>review the flagged sample in the Result Viewer</strong> to <strong>investigate</strong> the problem, easily <strong>correct</strong> peak assignments if needed, and <strong>re-analyze</strong> samples to <strong>update the results</strong>.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Reaction_Optimization_software_Flag_system_for_warnings_about_non_conformances_60517716c1.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears – Chrom Reaction Optimization software: Flag system for warnings about non-conformances."></p><h4><strong>Graphical summary of results and automatic global reports</strong></h4><p>Chrom Reaction Optimization <strong>simplifies decision making</strong> by generating <strong>global and graphical reports</strong> with the analysis results. Reports are generated in <strong>multiple formats</strong>, including a dynamic html format that allows data sorting (increasing or decreasing order) and export to new reports.</p><p><strong>Quantities</strong> of reaction starting materials, products, and other declared compounds are <strong>graphically represented</strong> in charts making it easier to <strong>decide on the best reaction conditions at a glance</strong>!</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Reaction_Optimization_software_Graphical_summary_of_results_and_automatic_global_reports_c5976ac1f6.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears – Chrom Reaction Optimization software: Graphical summary of results and automatic global reports."></p><h3><strong>Markets</strong></h3><p>Academic, Government &amp; Industrial</p><h4><strong>Who should be using Chrom Reaction Optimization?</strong></h4><p>This Automated Software Solution for Chemical Reaction Optimization is suitable for all Organic, medicinal, and process chemists, in the following market fields:</p><ul><li>(bio)Pharmaceutical / Drug development and manufacturing</li><li>Food &amp; Bev industries / Synthesis of additives, flavors, etc.</li><li>Personal care and Cosmetics industry / Synthesis of preservatives, fragrances, emulsifiers, etc.</li><li>Agrochemical industry/ Synthesis of herbicides, insecticides, etc.</li><li>Polymers industry / Synthesis of new polymers</li><li>Other fine chemicals industries</li></ul>

Wasson GC DHA Hydrocarbon Expert software

DHA analysis easy and simple. Efficient analysis is now even more efficient. Hydrocarbon Expert software.

<p><strong>Wasson-ECE Dragon DHA is a fast, easy to use application for the detailed hydrocarbon analysis of petroleum products by high efficiency gas chromatography. Dragon DHA uses a convenient, graphical interface to provide a one-screen display for visually observing the chromatogram and manipulating the data calculations in order to obtain the optimum results for analysis and data presentation.</strong></p>
<h3><strong>Dragon DHA Includes:</strong></h3>
<ul>
<li><p>Quick database creation.</p>
</li>
<li><p>Fast peak identification and results processing.</p>
</li>
<li><p>“Unknown” tab lists unidentified peaks in order of concentration.</p>
</li>
<li><p>“Unknown indexer” takes the user directly to the unknown peak for identification.</p>
</li>
<li><p>Unique dashboard feature continuously presents the user with all calculated results and instantly recalculates when changes are made.</p>
</li>
<li><p>Hydrocarbon group-type filtering.</p>
</li>
<li><p>Full preview and printing of reports.</p>
</li>
<li><p>Results are bound with chromatographic data for instant retrieval and archiving. </p>
</li>
<li><p>Original files and data are never affected (CFR Part 11/ISO 17025).</p>
</li>
<li><p>Result files are saved as netCDF (.AIA) format files and can be accessed by any third-party application that supports reading .AIA file format.</p>
</li>
<li><p>Result files work as fully functional reference databases.</p>
</li>
<li><p>Full reports are stored with results for easy retrieval without reprocessing.</p>
</li>
</ul>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Altium_International_Wasson_Obrazek_1_Diagram_casti_DHA_chromatogramu_s_identifikovanymi_a_neidentifikovanymi_piky_b50386d9b9.jpg" alt="Wasson: Diagram of the part of the DHA chromatogram with identified and unidentified peaks. Hydrocarbon Expert greatly simplifies the identification of components by comparing the measured chromatogram with a reference."/></p>
<h3><strong>Wasson-ECE Dragon DHA Software</strong></h3>
<p>Wasson-ECE Instrumentation Dragon DHA software uses integrated chromatographic data from commercial GC data systems, i.e. <strong>ChromPerfect</strong>, <strong>EZ Chrome</strong>, <strong>ChemStation</strong>. In fact, any GC data system capable of AIA (ANDI) file output is compatible with Dragon DHA.</p>
<h3><strong>Chemical and Physical Property Calculations</strong></h3>
<ul>
<li><strong>Vapor pressure</strong></li>
<li><strong>Oxygenate content</strong></li>
<li><strong>Relative density</strong></li>
<li>Average <strong>molecular weight</strong></li>
<li>Calculated research <strong>octane number</strong></li>
<li><strong>% carbon, % hydrogen</strong></li>
<li>Calculated <strong>bromine number</strong></li>
<li><strong>Mass% and vol%</strong> multi-substituted ring aromatics</li>
<li><strong>Total boiling point distribution</strong></li>
<li>Wt%, vol%, mole% of <strong>group types by carbon number</strong></li>
<li>Wt%, vol%, mole% of <strong>individual components</strong></li>
</ul>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Altium_International_Wasson_Obrazek_5_V_software_lze_porovnavat_neomezeny_pocet_signalu_a_reportu_Srovnani_lze_provest_na_jakekoli_urovni_od_shrnuti_dle_skupin_po_vlastni_vypocty_9c06f36d16.jpg" alt="Wasson: An unlimited number of signals and reports can be compared in the software. Comparisons can be made at any level, from group summaries to custom calculations."/></p>


SIELC HPLC Software - HPLC.cloud

SIELC has developed the first and only HPLC software that is accessible via the cloud.

<h5><strong>Each <a href="https://lcms.labrulez.com/products?instrumentationItems=27&amp;search=SIELC">instrument</a> is connected directly to our secure cloud server via an Ethernet line.</strong></h5>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/SIELC_SIELC_Software_HPLC_cloud_1_441d304d5d.jpg" alt="SIELC: SIELC Software – HPLC.cloud."/></p>
<h5><strong>All instrument parameters are visible and adjustable on the fly from any internet-enabled device. Instrument settings are stored as methods, which can be retrieved and used for specific compounds.</strong></h5>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/SIELC_SIELC_Software_HPLC_cloud_2_f626a8f395.jpg" alt="SIELC: SIELC Software – HPLC.cloud."/></p>
<h5><strong>Multiple samples can be organized in a sequence with various methods. Results can be compared and quantitated:</strong></h5>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/SIELC_SIELC_Software_HPLC_cloud_3_6eb75a29c9.jpg" alt="SIELC: SIELC Software – HPLC.cloud."/></p>
<p>Please see an online example of the separation results <a href="https://chrom.app/share/#/samples/11972/injection/21307/?t=a992fefcdd3647b19f6bed81e182d3d8"><strong>here</strong></a>.</p>
<h5><strong>With your Alltesta and HPLC.cloud free subscription, you can analyze almost any compound from the palm of your hand. For example, you can analyze the dyes that are in your favorite purple sports drink:</strong></h5>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/SIELC_SIELC_Software_HPLC_cloud_4_b8e9abd33a.jpg" alt="SIELC: Separation of Blue 1 and Red 40 dyes in Gatorade Zero – Grape."/></p>
<h5><strong>Alternatively, you can analyze the caffeine content in your morning coffee:</strong></h5>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/SIELC_SIELC_Software_HPLC_cloud_5_f39557543e.jpg" alt="SIELC: Retention of Caffeine."/></p>
<h5><strong>Another option is to separate and analyze the vitamin content in your daily multi-vitamin:</strong></h5>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/SIELC_SIELC_Software_HPLC_cloud_6_bbf8e002a3.jpg" alt="SIELC: Separation of Vitamin C and Vitamin B2."/></p>


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.

<p><strong>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.</strong></p><h5><strong>Intelligent</strong></h5><p>Built-in intelligence facilitates the <strong>full workflow from sample to results</strong>. Laboratories can be <strong>more reactive and profitable</strong>, with software that facilitates data driven decisions more efficiently.</p><h5><strong>Scientific</strong></h5><p>Developed with scientific integrity, Qtegra ISDS Software delivers high quality, reliable <strong>data that labs can trust</strong>. Data transparency lets laboratory personnel focus on other tasks while ensuring the utmost confidence in scientific collaboration.</p><h5><strong>Data</strong></h5><p>Data is the key to success for all laboratories. Qtegra ISDS Software can help labs excel at efficiently <strong>delivering consistent and relevant results</strong> with extensive tools to effectively acquire and manage data.</p><h5><strong>Solution</strong></h5><p>Laboratories can enjoy the familiarity of common <strong>software across multiple analytical systems</strong> while differentiating their offering through customizable and application specific workflows.</p><p><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"></p><h4><strong>Routine analysis</strong></h4><p>High-throughput production and contract testing laboratories benefit from the assistance and economy imparted through <strong>Qtegra ISDS Software</strong>. The design facilitates integration in a growing lab ecosystem, while <strong>intuitive workflow features</strong>, <strong>interference management </strong>and <strong>pertinent data visualization</strong> 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.</p><h4><strong>Scientific research</strong></h4><p>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 <strong>flexibility of customized configurations with multiple acquisition modes</strong> and <strong>data processing tools</strong> 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.</p><h4><strong>Regulated industries</strong></h4><p><strong>Food, environmental and pharmaceutical QA/QC </strong>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.</p><h4><strong>Integrated lab assistant saves time, simplifies sample preparation, and intelligently assists data analysis.</strong></h4><ul><li>Lab is <strong>quickly alerted to QC anomalies</strong> and samples above Maximum Allowable Concentrations.</li><li>Integrated, flexible <strong>QA/QC protocols</strong> minimize failures and prevent costly re-runs.</li><li>Intuitive <strong>color-coding of data and reports</strong> aids faster interpretation and decision making.</li><li><strong>Calculations</strong> are transparently applied in real time and can be audited easily.</li><li><strong>Prescriptive sample dilutions</strong> save labor and mitigate errors.</li><li><strong>Intelligent uptake and rinses</strong> optimize throughput and limit carryover challenges.</li><li>Intelligent <strong>over-range autodilution of high concentration samples</strong> automatically generates usable data without user input or delays</li></ul><h4><strong>It’s not just about finding answers, it’s about finding the right answers</strong></h4><p>Qtegra ISDS Software helps labs <strong>achieve consistently accurate results</strong> through Interference Management. Many analytical techniques are prone to interferences that are difficult to remove. Qtegra ISDS Software can help <strong>identify and automatically mitigate interferences</strong><br>with full visibility.</p><p><strong>The Reaction Finder method development assistant for Thermo Scientific™ TQ-ICP-MS analyzers</strong> intelligently selects the optimal measurement mode settings based on method analytes, removing the complexity from TQ technology and dramatically decreasing method development time.</p><p><strong>Interelement correction (IEC) for the Thermo Scientific™ iCAP™ PRO Series ICP-OES</strong> provides the ability to correct for interferences based on intensity or concentration and conform with regulatory methods, such as EPA Method 200.7.</p><h4><strong>Gain deeper insights and accelerate innovation with the flexibility of different data evaluation modes and specific workflows.</strong></h4><h4><strong>IRMS Chromatogram</strong></h4><p>Enjoy simple and reliable <strong>compound-specific IRMS or trace elemental speciation</strong> with a fully integrated workflow including chromatographic device control and dedicated chromatographic data processing.</p><p><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"></p><h4><strong>Laser ablation</strong></h4><p>Expand capabilities in spatial and depth characterization with solutions to <strong>integrate laser ablation systems</strong> and <strong>split-flow analysis</strong> with third-party plug-ins and laser ablation specific data evaluation.</p><p><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"></p><h4><strong>Single particle</strong></h4><p>Explore the expanding fields of <strong>single cell and nanoparticle analysis</strong> with automated workflows and dedicated sample handling packages.</p><p><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"></p><h4><strong>How do you manage large volumes of data in your laboratory?</strong></h4><p>Leverage data management and flexible and intuitive data processing tools within Qtegra ISDS Software to excel at delivering consistent data on time.</p><h5><strong>Data security</strong></h5><p>Be confident with the knowledge that <strong>all data is secure and encrypted, yet easily accessible</strong>. The Qtegra ISDS Software LabBook concept ensures the whole analytical workflow from samples to results is stored in one secure container.</p><h5><strong>LIMS integration</strong></h5><p>Complete analysis descriptions can be <strong>directly imported into Qtegra ISDS Software</strong>, eliminating additional user input. Full results, both analytical and metadata, are immediately available after analysis for rapid turnaround of results.</p><h5><strong>Data visualization</strong></h5><p>Access relevant data quickly, with flexibility to dig deeper when needed, enabling quicker decisions and efficiency.</p><h5><strong>Enhanced LabBook query</strong></h5><p>Combine data across <strong>LabBooks</strong> for method validation, long-term performance, or finding relationships and gaining deeper insights into data.</p><h5><strong>Flexible data export</strong></h5><p>Export data <strong>in the format you need</strong> for archiving, reporting, or further data processing and interrogation.</p><h5><strong>Comprehensive data reporting</strong></h5><p><strong>Automated report generation</strong> makes data management effortless. <strong>Customize report formats</strong> to fit with the needs of your customers.</p><h5><strong>Data management</strong></h5><p><strong>Store and manage data</strong> effortlessly with an intuitive file browser.</p><h5><strong>User management</strong></h5><p>Control access for <strong>up to 5 user levels </strong>with comprehensive user management.</p>

Mestrelab Research Chrom SST (System Suitability Testing) software

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

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

DataApex Clarity DHA (Detailed Hydrocarbon Analysis) Extension

The DHA Extension is a software module for DHA calculations and reporting based on supported standards.

<div><div id=""><div><div><div><div><strong>Extension for Detailed Hydrocarbon Analysis. It allows the determination of individual components in spark ignition engine fuels.</strong></div></div></div></div></div></div><div><div id=""><div><div><div><div><div><p>DHA Extension brings you the ability to calculate the properties of the samples directly in the chromatography software with the complete workflow of <strong>data acquisition</strong>, <strong>peak calibration</strong>, <strong>DHA calculations</strong> based on supported norms and reporting. These methods are often referred to as <strong>PONA</strong>, <strong>PIONA</strong>, <strong>O-PON</strong>A, etc.</p><p>Calculations in the <strong>DHA Extension</strong> currently support the <strong>ASTM D-6730</strong> standard and methods developed by <strong>Dani Instruments SA</strong>.</p></div></div></div></div></div></div></div><p><img style="aspect-ratio:1151/879;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Data_Apex_Data_Apex_Clarity_DHA_Detailed_Hydrocarbon_Analysis_Extension_2_edfc9ba1f3.jpg" alt="DataApex Clarity DHA (Detailed Hydrocarbon Analysis) Extension" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Data_Apex_Data_Apex_Clarity_DHA_Detailed_Hydrocarbon_Analysis_Extension_2_edfc9ba1f3.jpg 204w," sizes="100vw" width="1151" height="879"></p><p>You can create an <strong>additional custom method</strong> based on your own laboratory condititions or we can implement a standard method as part of the DHA extension at your request.</p><p>If you request to implement another norm in the DHA Extension, please contact us at <a href="mailto:support@dataapex.com">support@dataapex.com</a>.</p><p>The DHA Extension is optional and it can only be used together with <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/999"><strong>Clarity</strong></a>.</p><p>Note that for more complex DHA calculations, Clarity DHA Extension should be complemented by specialized software (e.g. Dragon II DHA© - see the <a target="_blank" rel="noopener noreferrer" href="https://www.dataapex.com/downloads/26175/view">D151 datasheet</a> for more details).</p><p><strong>The DHA Extension is an optional fully integrated addition to </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/999"><strong>Clarity software</strong></a><strong>. It can be ordered as part of a new installation or as an extension to an existing one. There are two variants to this extension:</strong></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Data_Apex_Data_Apex_Clarity_DHA_Detailed_Hydrocarbon_Analysis_Extension_bc1e53cf67.jpg" alt="DataApex Clarity DHA (Detailed Hydrocarbon Analysis) Extension" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Data_Apex_Data_Apex_Clarity_DHA_Detailed_Hydrocarbon_Analysis_Extension_bc1e53cf67.jpg 211w," sizes="100vw" width="1223" height="906"></p><h5><strong>p/n A33</strong></h5><ul><li>includes general ASTM-D6730 standard method and the possibility to create custom method.</li></ul><h5><strong>p/n A331</strong></h5><ul><li>includes additional methods developed by DANI Instruments S.p.A</li></ul><h3 data-start="49" data-end="78"><strong data-start="53" data-end="76">Norms specification</strong></h3><h4 data-start="80" data-end="102"><strong data-start="85" data-end="100">ASTM D-6730</strong></h4><ul data-start="103" data-end="302"><li data-start="103" data-end="127">Included in p/n A33.</li><li data-start="128" data-end="302">Standard Test Method for Determination of Individual Components in Spark Ignition Engine Fuels by 100-Metre Capillary (with Precolumn) High-Resolution Gas Chromatography.</li></ul><h4 data-start="304" data-end="328"><strong data-start="309" data-end="326">Custom Method</strong></h4><ul data-start="329" data-end="441"><li data-start="329" data-end="353">Included in p/n A33.</li><li data-start="354" data-end="441">Allows you to create a custom method which meets the conditions in your laboratory.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Data_Apex_Data_Apex_Clarity_DHA_Detailed_Hydrocarbon_Analysis_Extension_3_f5e659a432.jpg" alt="DataApex Clarity DHA (Detailed Hydrocarbon Analysis) Extension" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Data_Apex_Data_Apex_Clarity_DHA_Detailed_Hydrocarbon_Analysis_Extension_3_f5e659a432.jpg 245w," sizes="100vw" width="1233" height="756"></p><h4><strong data-start="452" data-end="475">ASTM D-6730 by DANI</strong></h4><ul data-start="478" data-end="578"><li data-start="478" data-end="535">Method by Dani Instruments SA with cryogenic cooling.</li><li data-start="536" data-end="578">Available only at Dani Instruments SA.</li></ul><h4 data-start="580" data-end="619"><strong data-start="585" data-end="617">ASTM D 2421-02 and D 2598-02</strong></h4><ul data-start="620" data-end="720"><li data-start="620" data-end="677">Method by Dani Instruments SA with cryogenic cooling.</li><li data-start="678" data-end="720">Available only at Dani Instruments SA.</li></ul><h4><strong data-start="731" data-end="758">Extension specification</strong></h4><ul data-start="761" data-end="911"><li data-start="761" data-end="782"><strong data-start="763" data-end="776">Part No.:</strong> A33</li><li data-start="783" data-end="911"><strong data-start="785" data-end="806">Related products:</strong><ul data-start="811" data-end="911"><li data-start="811" data-end="832"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/999">Clarity</a> (p/n C50)</li><li data-start="835" data-end="864"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1000">Clarity Offline</a> (p/n C59)</li><li data-start="867" data-end="911">GC or AS Control module (p/n A23 or A26)</li></ul></li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Data_Apex_Clarity_DHA_Detailed_Hydrocarbon_Analysis_Extension_2_d15379bcdf.jpg" alt="DataApex Clarity DHA - Detailed Hydrocarbon Analysis Extension" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Data_Apex_Clarity_DHA_Detailed_Hydrocarbon_Analysis_Extension_2_d15379bcdf.jpg 245w," sizes="100vw" width="1995" height="1182"></p>

Waters waters_connect software for Quantitation

Dominate your data, accelerate your workflows, and achieve absolute confidence in your compliance with the waters_connect for Quantitation software solution.

<div><div id="title-d9d0111cb7" data-locator="title-with-text"><h3><strong>Dominate your data</strong></h3></div></div><div><div id="text-fbc7e520e6" data-locator="text"><p><strong>Balancing productivity and accuracy can often feel like a tightrope walk, especially as workflows become more complex with expanding compound lists. Manual processes, inconsistent results and regulatory compliance concerns, can all contribute to bottlenecks that slow down your lab’s efficiency.</strong></p><p>Dominate your data, accelerate your workflows, and achieve absolute confidence in your compliance with the <strong>waters_connect for Quantitation software solution</strong>. Revolutionizing how you process, review, and report data, your compliance-enabled solution will take command of your data and empower you to spend less time on difficult manual processes and more time making fast, informed decisions to advance your science.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_waters_connect_for_Quantitation_The_MS_Quan_app_is_integrated_with_the_waters_connect_workflow_and_utility_apps_to_provide_a_seamless_efficient_workflow_for_quantitation_5a8779a387.jpg" alt="Waters: waters_connect for Quantitation: The MS Quan app is integrated with the waters_connect workflow and utility apps to provide a seamless, efficient workflow for quantitation." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_waters_connect_for_Quantitation_The_MS_Quan_app_is_integrated_with_the_waters_connect_workflow_and_utility_apps_to_provide_a_seamless_efficient_workflow_for_quantitation_5a8779a387.jpg 234w," sizes="100vw" width="1024" height="682"></p><h4><strong>Unmatched benefits for your lab</strong></h4><div><div data-locator="layoutcontainer-"><div><div id="text-ac6a0745c1" data-locator="text"><ul><li><strong>50% faster data review:</strong> Spend more time on science, less on manual review with the Exception Focused Review functionality</li><li><strong>Efficient batch processing:</strong> Seamlessly manage high sample volumes</li><li><strong>Report results effortlessly:</strong> On your <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products?manufacturerItems=5&amp;search=xevo"><strong>Xevo tandem quadrupole family</strong></a></li><li><strong>Ease of use: </strong>Intuitive system interface minimizes training requirements</li><li><strong>Compliance-enabled:</strong> Meet industry regulations such as 21 CFR Part 11 and ISO standards</li><li><strong>Integrated workflows:</strong> Enhance connectivity with streamlined LIMS and mixed-system networking for streamlined operations</li></ul></div></div><div><div id="text-939762e6f1" data-locator="text"><h4><strong>Recommended Use</strong></h4><p>For laboratories performing quantitative analysis that require efficient processing of large sample batches, reduced data review time, and adherence to compliance standards.</p><h3><strong>Advanced visualization</strong></h3><p>Simplify complex data interpretation with advanced visualization tools. Exception Focused Review functionality, lets you set customizable rulesets, quickly spot trends, and instantly identify outliers, enabling faster, data-driven decisions.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_waters_connect_for_Quantitation_Advanced_visualization_4f34501146.jpg" alt="Waters: waters_connect for Quantitation: Advanced visualization." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_waters_connect_for_Quantitation_Advanced_visualization_4f34501146.jpg 245w," sizes="100vw" width="1460" height="819"></p><div><div id="text-e5c015d2f3" data-locator="text"><h3 data-locator="modal-title"><strong>Take control of your data</strong></h3><p>Dominate your data with waters_connect for Quantitation. Designed to simplify your lab operations, the dynamic, user-friendly interface ensures effortless navigation, while one-click processing handles even the largest datasets with ease. With centralized access to reports, methods, and sample lists via a secure Oracle Database, you can quickly uncover critical insights and make confident, data-driven decisions faster than ever.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_waters_connect_for_Quantitation_Take_control_of_your_data_96563b6d5a.jpg" alt="Waters: waters_connect for Quantitation: Take control of your data." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_waters_connect_for_Quantitation_Take_control_of_your_data_96563b6d5a.jpg 234w," sizes="100vw" width="1024" height="682"></p><h3><strong>Accelerated analytical workflows, zero compromises</strong></h3><p>Analyzing large sample batches? No problem. The Acquisition Method Editor is an automatic optimization and processing tool designed to save time and reduce transcription error when creating your acquisition and processing method and processing method.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_waters_connect_for_Quantitation_Accelerated_analytical_workflows_zero_compromises_c8ff142bf3.jpg" alt="Waters: waters_connect for Quantitation: Accelerated analytical workflows, zero compromises." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_waters_connect_for_Quantitation_Accelerated_analytical_workflows_zero_compromises_c8ff142bf3.jpg 234w," sizes="100vw" width="1024" height="682"></p><h3><strong>Confidence in compliance</strong></h3><p>Confidently align LC-MS/MS workflows to global regulations and standards, such as 21 CFR part 11 and ISO, using the compliance-enabled waters_connect for Quantitation software. Enhance data integrity through the robust Oracle relational database backbone, which provides robust method version control, traceability, and comprehensive audit trails.&nbsp;Bolster regulatory-driven LC-MS/Ms workflows by combining data integrity with productivity through mixed-system data networks and LIMS connectivity.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_waters_connect_for_Quantitation_Reduce_the_burden_of_data_integrity_with_software_that_facilitates_accurate_traceable_and_secure_records_fb809b433f.jpg" alt="Waters: waters_connect for Quantitation: Reduce the burden of data integrity with software that facilitates accurate, traceable, and secure records." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_waters_connect_for_Quantitation_Reduce_the_burden_of_data_integrity_with_software_that_facilitates_accurate_traceable_and_secure_records_fb809b433f.jpg 234w," sizes="100vw" width="1024" height="682"></p><h3><strong>Advancing PFAS, Pharmaceutical, and Food Safety Analysis Applications</strong></h3><h4><strong>PFAS analysis</strong></h4><p>Achieve precision and productivity in <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=5&amp;search=PFAS"><strong>PFAS testing</strong></a> with software designed for ease of use and compliance. waters_connect for Quantitation helps laboratories meet stringent regulatory requirements while managing complex sample matrices with ease.</p><h4><strong>Pharmaceutical analysis</strong></h4><p>Confidently quantify pharmaceutical analytes from discovery to manufacturing QC with waters_connect for Quantitation. Streamline LC-MS/MS analysis, enhance productivity, and ensure data integrity with compliance-enabled analytical workflows generating the results that support drug development, regulatory submissions and audits.</p><h4><strong>Food and environmental safety</strong></h4><p>Streamline testing for multiresidue <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=5&amp;search=pesticides"><strong>pesticides</strong></a>, <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=5&amp;search=mycotoxin"><strong>mycotoxins</strong></a>, and <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=5&amp;search=veterinary+drugs"><strong>veterinary drugs</strong></a> with efficient workflows that maximize throughput without compromising quality. Analyze complex samples quickly and confidently</p><h3><strong>Your Scalable, Compliance-Enabled Solution</strong></h3><p>Built on the waters_connect Informatics Platform, waters_connect for Quantitation empowers analytical labs to achieve faster, more robust outcomes. Its scalable, secure design supports seamless integration with existing Waters software and partner solutions, ensuring future-ready performance.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_waters_connect_for_Quantitation_Core_capabilities_of_the_waters_connect_Platform_22c5991e08.jpg" alt="Waters: waters_connect for Quantitation: Core capabilities of the waters_connect Platform." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_waters_connect_for_Quantitation_Core_capabilities_of_the_waters_connect_Platform_22c5991e08.jpg 153w," sizes="100vw" width="1059" height="1082"><br>&nbsp;</p></div></div></div></div></div></div></div></div>

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