From December 1st to December 31st, 2024, when you purchase any new Mnova license, you'll receive an additional plugin of your choice FREE for 1 year.<blockquote><h5>Check out our tutorial videos for Peak Purity Assessment in LCMS with Mnova MSChrom, Advanced Chemometrics, and BioHOS.</h5><ul><li><a target="_blank" rel="noopener noreferrer" href="https://youtu.be/FkJ43lQrMwI">Peak Purity Assessment for LCMS using MCR mode in Mnova MSChrom</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://youtu.be/nab8pR2RAbE">MCR tool in Mnova chemometric solutions: Advanced Chemometrics and BioHOS</a></li></ul></blockquote>&nbsp;<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Holiday_Special_Get_More_from_Mnova_This_December_Buy_1_Get_1_255c1413bd.jpg" alt="Mestrelab Research: Mestrelab Holiday Special - Get More from Mnova This December: Buy 1 - Get 1!" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Mestrelab_Research_Mestrelab_Holiday_Special_Get_More_from_Mnova_This_December_Buy_1_Get_1_255c1413bd.jpg 245w," sizes="100vw" width="1920" height="1080">Whether you're in industry, government, or academia, this limited-time offer is the perfect way to enhance your analysis toolkit with our powerful suite of tools for NMR, LC/GC-MS, and Electronical &amp; Vibrational Spectroscopic techniques. It’s also an excellent choice for exploring our solutions tailored to specific applications, such as <a target="_blank" rel="noopener noreferrer" href="https://bit.ly/3VgxIne">prediction</a>, <a target="_blank" rel="noopener noreferrer" href="https://bit.ly/4eYNRoC">reaction monitoring</a>, <a target="_blank" rel="noopener noreferrer" href="https://bit.ly/49iDUBh">structure elucidation</a> and <a target="_blank" rel="noopener noreferrer" href="https://bit.ly/3CUNxd6">verification</a>, <a target="_blank" rel="noopener noreferrer" href="https://bit.ly/49gfisB">quantification</a> and <a target="_blank" rel="noopener noreferrer" href="https://bit.ly/3Zu3EHs">mixture analysis</a>, <a target="_blank" rel="noopener noreferrer" href="https://bit.ly/3B8Jvx9">screening</a>, <a target="_blank" rel="noopener noreferrer" href="https://bit.ly/3CQKwuv">chemometrics</a>, <a target="_blank" rel="noopener noreferrer" href="https://bit.ly/41ddyOV">database management</a>, and <a target="_blank" rel="noopener noreferrer" href="https://bit.ly/3ZB1aWL">more</a>!<h4>How It Works:</h4><ol><li>Buy any new Mnova license.</li><li>Choose an additional plugin (of equal or lesser value) for free for 1 year.</li><li>Expand your research capabilities with unmatched tools!</li></ol>Don’t wait—claim your offer now!<h4>Offer Details:</h4><ul><li>Valid: December 1–31, 2024</li><li>Exclusions: Mnova Gears and its plugins/bricks, USP-ID, Mnova Web, Mbook.</li><li>Discounts: Cannot be combined with other discounts (except volume discounts).</li></ul>Act now and give yourself the gift of innovation this holiday season.<a target="_blank" rel="noopener noreferrer" href="https://bit.ly/41euuVs">Visit our web store</a> or <a href="mailto:sales@mestrelab.com" target="_blank" rel="noopener noreferrer">contact</a> us directly to claim your offer now!<blockquote><h4>About <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/companies/298">Mestrelab Research</a>:</h4>For two decades, we have provided cutting-edge tools to enhance analytical data processing, analysis, and reporting experience. Today, our comprehensive range of products and solutions extends beyond NMR to include LC/GC-MS and other spectroscopies. These tools empower users to automate routine tasks, streamline workflows, and focus on what truly matters—extracting meaningful insights from their data.</blockquote>

Mestrelab Holiday Special - Get More from Mnova This December: Buy 1 - Get 1!

Diane Cotter knew cancer was a risk of her husband’s job. Paul had been a firefighter for 27 years, and they had been advised of not only the safety risks, but also the health implications from exposure to diesel exhaust and products of combustion. But when Paul, a 55-year-old in great shape, who ate healthy and took care of himself, received a prostate cancer diagnosis, Diane suspected something other than smoke was the culprit.A hunch drew her to consider his gear — the protective clothing that had kept him safe as he rushed into burning buildings, saved lives and put out fires. As it turned out, that gear may have been a cause of his cancer.Firefighter gear is complex — it has to be able to withstand both fire and water, and to resist extreme temperatures. The multiple layers — a thermal liner, a moisture barrier and an outer shell — must pass the National Fire Protection Association standards. Research had been done to study the gear and its textiles, but little existed about the chemical coatings on the gear that make it so effective.Determined to learn more, Diane began digging. She emailed firefighters, activists, manufacturers. Many tried to shrug her off, but she was persistent. She pored over safety recalls, international regulations. Finally, she received a tip: Ask if the chemicals PFOA or PFOS are present in the gear.Her research led her to believe that yes, chemicals known collectively as PFAS must be present in the gear, but manufacturers refused to provide information about the chemical content. And so she began looking for someone who could independently assess the clothing and give her an answer.“What we didn't know was how much of these coatings were on the turnout gear and we didn’t have the chemical breakdown,” she says. “And we had no one to tell us what was in the coatings until we found Dr. Peaslee.”<figure class="image image_resized" style="width:50%;"><img style="aspect-ratio:687/375;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/University_of_Notre_Dame_Matt_Cashore_To_Protect_the_Protectors_Graham_Peaslee_professor_of_physics_e021134945.jpg" alt="University of Notre Dame: Graham Peaslee." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_University_of_Notre_Dame_Matt_Cashore_To_Protect_the_Protectors_Graham_Peaslee_professor_of_physics_e021134945.jpg 245w," sizes="100vw" width="687" height="375"></figure><a target="_blank" rel="noopener noreferrer" href="https://physics.nd.edu/people/faculty/graham-peaslee/">Graham Peaslee</a> is a professor of <a target="_blank" rel="noopener noreferrer" href="https://physics.nd.edu/">experimental nuclear physics</a> at Notre Dame. Peaslee had devoted 20 years of his career to fundamental physics research and teaching, but in 2005 a lake near his home was found to be contaminated with chemicals from flame retardants. He began researching the prevalence of toxic chemicals and was thrust into a merger of science and policy, of chemicals and human health.The experience tipped him off that harmful chemicals could be lurking in other unlikely places. He zeroed in on a class of fluorinated compounds, per- and polyfluoroalkyl substances, referred to as PFAS, which have been linked to thyroid disease, hypertension, immunosuppression, low birthweight and kidney and testicular cancers.“This is a really persistent class of chemicals,” says Peaslee. “It gets in the bloodstream; it stays there and can accumulate in the body. There are diseases that correlate with its presence, so we really don’t want this class of chemicals out there.”Peaslee explains that these chemicals, also known as PFOA, PFOS or GenX, are particularly dangerous because they don’t break down. They move from commercial products to landfills to soil to groundwater. They can be ingested by livestock, or end up in drinking water, as was the case in Little Hocking, Ohio, a community downriver from a DuPont plant that leaked PFAS into soil and water for more than 50 years. Similar stories come from communities around military bases where firefighting foam laden with the compounds eventually made it into drinking water.To identify markers of PFAS, scientists perform a complicated and lengthy chemical method. But Peaslee designed a novel technique that makes use of Notre Dame’s <a target="_blank" rel="noopener noreferrer" href="https://isnap.nd.edu/research/facility/accelerator/">St. Andre particle accelerator</a>.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/University_of_Notre_Dame_Matt_Cashore_To_Protect_the_Protectors_Peaslee_s_team_tested_more_than_30_samples_of_used_and_unused_personal_protective_equipment_PPE_from_six_specialty_617941aa10.jpg" alt="University of Notre Dame: To identify markers of PFAS, scientists perform a complicated and lengthly chemical method. But Peaslee designed a novel technique that makes use of Notre Dame's St. Andre particle accelerator." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_University_of_Notre_Dame_Matt_Cashore_To_Protect_the_Protectors_Peaslee_s_team_tested_more_than_30_samples_of_used_and_unused_personal_protective_equipment_PPE_from_six_specialty_617941aa10.jpg 245w," sizes="100vw" width="1200" height="675">He explains their development of what he calls a rapid spectroscopic technique. “This is where you use light to interact with matter to measure something. It can analyze 100 times faster than the chemical method for the same sort of detection,” he says. “In that sense it's a development that nobody else has been able to do, because nobody uses nuclear science to screen for this type of chemical. While it doesn’t replace them, it is considerably faster than the chemical approaches and can be used to screen for the fate and transport of these chemicals in the environment.”His method got results in minutes, rather than hours, which allowed him to start testing many everyday items. Because PFAS are used in water, flame and oil resistance, they’re frequently used in consumer goods ranging from raincoats to nonstick pans to carpet to fast food wrappers. One of Peaslee’s studies discovered the presence of these chemicals in wrappers at 20 different fast food chains. Another study highlights cosmetics.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/University_of_Notre_Dame_Matt_Cashore_To_Protect_the_Protectors_4892ae919c.jpg" alt="University of Notre Dame: Fighting to Protect the Brave." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_University_of_Notre_Dame_Matt_Cashore_To_Protect_the_Protectors_4892ae919c.jpg 149w," sizes="100vw" width="1600" height="1676">One result of these published studies is that consumer response has helped drive industries toward discontinuing use of the chemicals when it’s not necessary. Companies in the outerwear, furniture and food packaging industries are already making adjustments.In the midst of his extensive testing for PFAS on products, Peaslee received a plea for help.“I received an email from Diane, which was a heartfelt story about her husband's bout with cancer and that nobody would test her firefighting gear. I felt obliged to go and see if there was anything to her claims,” he says.“The firefighters that Diane knew volunteered several sets of used and new gear from around the country, and we started getting dozens of sets of turnout gear delivered to our laboratory. When we looked at the gear, there was a remarkable consistency in how they were fabricated and the levels of fluorine that we were seeing in each of the layers of the gear. It was startling high,” he says. “There were perfluorinated compounds being used on the inside and the outside of this firefighting gear.”Digging further into the issue, Peaslee began testing gear that was new, used, washed and unwashed, to help determine the extent of the issue. He wanted to educate firefighters about the potential hazards.“Knowledge is empowerment,” he says. “These firefighters, men and women, are being exposed to something that they don’t know about. When they know about it they can mitigate the risks. They can treat the gear with respect and use it when they need it and then they can keep it separate from their lives when they don’t need it. For example, policies of where they keep the gear and where they store the gear might change, which is a pretty easy fix if it reduces your risk of exposure to the chemicals on the surface of the gear.”<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/University_of_Notre_Dame_Fighting_to_Protect_the_Brave_Digging_further_into_the_issue_Peaslee_began_testing_gear_that_was_new_used_washed_and_unwashed_to_help_determine_the_extent_of_f16069c980.jpg" alt="University of Notre Dame: Digging further into the issue, Peaslee began testing gear that was new, used, washed and unwashed, to help determine the extent of the issue. He wanted to educate firefighters about the potential hazards." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_University_of_Notre_Dame_Fighting_to_Protect_the_Brave_Digging_further_into_the_issue_Peaslee_began_testing_gear_that_was_new_used_washed_and_unwashed_to_help_determine_the_extent_of_f16069c980.jpg 245w," sizes="100vw" width="1600" height="626">In April, Peaslee shared his findings at the Fire Department Instructors Conference International, which had more than 35,000 attendees. The Cotters also continue to advocate for change for firefighters, now with Peaslee’s findings as backing for their cause.Diane says, “What we know is that the chemical coatings have been used for at least 20 years. We never knew how much until Dr. Peaslee discovered, with his own specific testing methods, the amounts that are used. We've been told trace amounts, which, to us, is trying to minimize the issue, when in fact we really should be sounding the alarm on the issue.”Now certain that there are toxic chemicals in the gear, Diane believes some manufacturers may have knowingly withheld that information. Peaslee was able to provide undeniable evidence that now needs to be addressed. Because of him, she says, the discussion has begun.<blockquote><h4>“Scientists have to learn to communicate when there's an issue like this, and not just do it in the safety of a laboratory.”</h4></blockquote>Peaslee is quick to shrug off any praise and insists he’s doing what all scientists should.He says, “Scientists have to learn to communicate when there's an issue like this, and not just do it in the safety of a laboratory. But to get out and talk to people about what may in fact impact them.”“The reason I came to Notre Dame was that they had a facility that was different from what’s available anywhere else in the world. It has cutting-edge research facilities,” he says. “Their mission states that they are a university that wishes to give back to its community. I identify strongly with that mission.”As research and awareness on PFAS has grown, so have efforts to reduce and eliminate their use. European firefighters are already moving away from PFAS in their gear.In February, the EPA announced a maximum contaminant level for drinking water and also proposed enforcement tools for parties leaking PFAS into the environment.In June, a bipartisan amendment passed that required the military to phase PFAS chemicals out of firefighting foam by 2023 — a response to alarming amounts of PFAS in contaminated drinking water at more than 175 military bases to date.The state of Washington was the first to pass legislation to restrict the use of PFAS. In March 2018, the Healthy Food Packaging Act banned PFAS chemicals in paper food packaging. Another bill championed by the Washington State Council of Fire Fighters bans firefighting foams with added PFAS and requires gear containing the chemical to carry a warning. By 2020, the state will designate a list of other consumer products to remove PFAS.Meanwhile, several corporations have independently gone PFAS-free. Whole Foods Market pulled takeout packaging that contained PFAS, and Kaiser Permanente, one of the largest health care providers in the U.S., and Google have banned the use of PFAS in finishes and materials it uses for building projects.Today, Paul is cancer-free, but Diane isn’t willing to give up the fight to protect other firefighters.“My husband leaving the fire department was probably the hardest thing we’ve had to endure. Even harder than the cancer, but we’re blessed because he’s survived it,” she says. “At this point in our lives, we’re fighting for change because it’s that important. We have family and friends, not just here in the United States, but across all the lands, across the planet, in Australia, Europe, Italy, who are asking the same questions. And Dr. Peaslee’s findings have an international impact.”For questions regarding Professor Peaslee’s research, please contact him at <a href="mailto:gpeaslee@nd.edu">gpeaslee@nd.edu</a>.

Fighting to Protect the Brave

IOCB Prague is celebrating two significant achievements in the field of scientific research. Dr. Tomáš Pluskal, who leads a research group at the institute, has been accepted into the prestigious ‘Young Investigator Programme’ of the European Molecular Biology Organization (EMBO) and has also secured one of Europe’s most competitive grants from the European Research Council (ERC).<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/UOCHB_Tomas_Pluskal_receives_ERC_grant_and_joins_EMBO_Dr_Tomas_Pluskal_head_of_the_Biochemistry_of_Plant_Specialized_Metabolites_group_at_IOCB_Prague_d87373d9fa.jpg" alt="IOCB Prague: Dr. Tomáš Pluskal, head of the Biochemistry of Plant Specialized Metabolites group at IOCB Prague." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_UOCHB_Tomas_Pluskal_receives_ERC_grant_and_joins_EMBO_Dr_Tomas_Pluskal_head_of_the_Biochemistry_of_Plant_Specialized_Metabolites_group_at_IOCB_Prague_d87373d9fa.jpg 234w," sizes="100vw" width="2048" height="1367"><div>Dr. Pluskal's project, TerpenCode, caught the attention of the ERC with its innovative application of machine learning in biochemistry. The project seeks to overcome longstanding obstacles in enzyme development. Currently, it is impossible to accurately predict the functions of newly discovered enzymes or to generate enzymes for specific reactions. Dr. Pluskal has been awarded an ERC Consolidator Grant to pursue this project, securing more than 2 million euros for the next five years.“Progress in this field has been slow and remains highly limited. We’re currently capable of creating new versions of known enzymes, but no one has yet managed to develop entirely new enzymes for reactions we’ve never seen before,” explains <a target="_blank" rel="noopener noreferrer" href="https://pluskal.group.uochb.cz/en">Tomáš Pluskal</a> why he decided to focus his research on this area.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/UOCHB_Tomas_Pluskal_receives_ERC_grant_and_joins_EMBO_Tomas_Pluskal_Group_ad9d65dff1.jpg" alt="IOCB Prague: Tomáš Pluskal Group." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_UOCHB_Tomas_Pluskal_receives_ERC_grant_and_joins_EMBO_Tomas_Pluskal_Group_ad9d65dff1.jpg 234w," sizes="100vw" width="2000" height="1333">If these barriers are overcome, the result could be more efficient and environmentally sustainable production of pharmaceuticals, fragrances, biofuels, and other valuable chemical substances. Enzymes play a key role in biotechnology because they catalyze chemical reactions that are often difficult to achieve through organic synthesis.With six active ERC grants and a total of nine awarded in its history, IOCB Prague is among the top Czech institutions in obtaining this prestigious European funding.In addition to the ERC grant, Dr. Pluskal has also secured a position in the European Molecular Biology Organization (EMBO). EMBO’s mission is to connect young, talented researchers with distinguished experts in the field. The ‘Young Investigator Programme’ offers more than just networking – it provides smaller grants, training opportunities, and mentorship.Membership in this elite scientific community highlights the global potential of Dr. Pluskal's research. EMBO aims to nurture this potential, supporting cutting-edge research that could have a profound impact on society at large.</div>

Tomáš Pluskal receives ERC grant and joins EMBO

Software

Article

Product

Scientists

Health

Science and research

Video

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. 

Ústav organické chemie a biochemie AV ČR

Mestrelab Research is a scientific software company with nearly two decades of expertise, specializing in providing advanced solutions in the field of analytical chemistry. As a fast-growing company, we have doubled in size over the past five years, now boasting over 90 employees spread across headquarters in Santiago de Compostela (Spain), as well as offices in Europe, Asia, and the USA.

Mestrelab Research

The University of Notre Dame is a Catholic academic community of higher learning, animated from its origins by the Congregation of Holy Cross. The University is dedicated to the pursuit and sharing of truth for its own sake. As a Catholic university, one of its distinctive goals is to provide a forum where, through free inquiry and open discussion, the various lines of Catholic thought may intersect with all the forms of knowledge found in the arts, sciences, professions, and every other area of human scholarship and creativity.

University of Notre Dame

Anton Paar

Agilent Technologies

Technology Networks

PANIC

Shimadzu Corporation

Navigating 21 CFR Part 11 Compliance for ICP-MS with Open Lab ECM...
<blockquote>
Presenter: Bert Woods (Application Scientist, Agilent Technologies, Inc.)
</blockquote>
<blockquote>
Joined the Agilent ICP-MS team in 2004, with previous employment in the semiconductor industry with Dominion Semiconductor (IBM/Toshiba) and Micron. Bert is a 1997 Chemistry graduate of Radford University in Virginia and an avid Washington DC Sports fan.
</blockquote>

Agilent Technologies: Navigating 21 CFR Part 11 Compliance for ICP-MS with Open Lab ECM

Navigating 21 CFR Part 11 Compliance for ICP-MS with Open Lab ECM

21 CFR Part 11 Compliance for ICP-MS with Open Lab ECM

Join us for a glimpse into the groundbreaking world of tomorrow’s research labs.
This immersive webinar offers an exclusive glimpse into the groundbreaking technologies shaping the laboratories of tomorrow. Delve into the dynamic fusion of cutting-edge technology and scientific exploration as our visionary experts unveil revolutionary laboratory setups.
Attend this webinar to:
<ul>
<li>Uncover strategies for enhancing the predictability and efficacy of synthetic biology</li>
<li>Navigate the transformative landscape of machine learning and automation in scientific research</li>
<li>Recognize the latest trends and updates in regulatory guidance documents related to data integrity </li>
<li>Attain more comprehensive results with new cutting-edge workflows for peptide and protein characterization</li>
</ul>
<blockquote>
Presenter: Joseph Meeuwsen, PhD (Product Manager ExD, Agilent Technologies)
</blockquote>
<blockquote>
**Presenter:**Sandra Soderholm, PhD (Application Development Scientist, Lab Essentials, Sartorius)
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<blockquote>
**Presenter:**Héctor García Martín, PhD (Staff Scientist, Lawrence Berkley National Lab)
</blockquote>
<blockquote>
**Presenter:**Viktor Kravchuk (Application Specialist Lab Weighing and Digital Solutions, Sartorius)
</blockquote>
<blockquote>
**Presenter:**Christian Klein, PhD (Product Manager LC/Q-TOF, Agilent Technologies)
</blockquote>

Technology Networks: Laboratory of the Future: A Tech Spotlight on the Future of Research

Laboratory of the Future: A Tech Spotlight on the Future of Research

An exclusive glimpse into the groundbreaking technologies shaping the laboratories of tomorrow.

A Tech Spotlight on the Future of Research

ZONTAL and Mestrelab by SciY are leaders in their respective areas of data digitalisation and complex analytical data processing. In this talk we explore how the two products can be seamlessly integrated to add convenience and value. Specifically, we look at how ZONTAL can harness the power of Mnova automated structure verification on data ingestion, and also how end users can use the familiar Mnova desktop application to directly search, access and save to the ZONTAL platform via Mnova Hub. These integrations enhance both products and enable them to be used with even greater efficiency when dealing with complex analytical data like NMR or LCMS.
Agenda
<ul>
<li>An introduction to Sciy</li>
<li>Getting value from scientific data – FAIR data</li>
<li>Getting value from scientific data – getting information and learning from complex data</li>
<li>Examples of seamless integration</li>
<li>Ingestion processing for automated structure elucidation</li>
<li>Ad hoc processing by users in a favoured desktop application</li>
</ul>
Key Learning Points
<ul>
<li>Why a FAIR data platform is important</li>
<li>How we can connect a FAIR data platform to end user applications to solve real laboratory problems</li>
</ul>
<blockquote>
Presenter: Dr. Christof Gaenzler (Director PreSales and Product Marketing)
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<blockquote>
Dr. Gaenzler holds a Doctorate in Molecular Biology from the University of Heidelberg and contributed to the development of the first HPV vaccines during his time at the German Cancer Center in Heidelberg. During his career outside of academia Dr. Gaenzler served as Senior Consultant and PreSales Manager at TIBCO Spotfire, and as the Senior Principal Product Marketing Manager for Biology at PerkinElmer Informatics. Currently, Dr. Gaenzler brings his expertise to ZONTAL as the Director of PreSales and Product Marketing.
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<blockquote>
Presenter: Gary Sharman, PhD (Senior Scientific Director)
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Gary studied Natural sciences at the University of Cambridge before completing a PhD with prof Dudley Williams on structural and mechanistic studies by NMR and MS. He spent 20 years in the pharmaceutical industry, working in analytical chemistry at AstraZeneca and Eli Lilly, where he developed a particular interest in data flows and visualisations. He moved to Mestrelab in 2020, where his role centres around automation, data processing and customisation.
</blockquote>

Mestrelab Research: SciY Mestrelab Mnova & ZONTAL Join Forces for Next-Level Data Integration

SciY Mestrelab Mnova & ZONTAL Join Forces for Next-Level Data Integration

In this talk we explore how the two products can be seamlessly integrated to add convenience and value.

SciY Mestrelab Mnova & ZONTAL Data Integration

Mixture analysis is a crucial step in pharmaceutical development and manufacturing. It ensures the accurate composition of each drug product, and analysis by NMR helps maintain consistent quality, efficacy, and safety for the end consumer.
By identifying any inconsistencies or impurities, manufacturers can prevent defective batches and ensure patients receive medications that meet strict quality standards. Come and learn about the latest industry techniques using NMR spectroscopy for mixture analysis by registering for PANIC’s Q3 Webinar.
Presentation abstracts:
Hyperpolarized 13C NMR metabolomics at natural abundance
<ul>
<li>NMR spectroscopy is a central method for the analysis of complex mixtures, and this is particularly true in metabolomics. However, such analysis mostly relies on 1D 1H spectroscopy, which provides an acceptable sensitivity but suffers from ubiquitous overlap between complex analyte patterns. While NMR offers a wide range of multi-nuclear and multi-dimensional techniques for analyzing complex samples, these tools are underutilized in metabolomics. In the past few years, we showed how fast 2D NMR methods could be systematically incorporated into metabolomics workflows, providing improved sample classification and/or biomarker identification.1–3 These methods mainly homonuclear 2D experiments for sensitivity reasons provide a first stage of dispersion improvement. 13C NMR spectroscopy would be even more advantageous as it provides narrow singlets spread over a broad spectral range. In fact, 13C NMR would be ideal for metabolomics, were it not for the fact that its low sensitivity is not compatible with the detection of low-concentrated analytes at natural abundance.
</li>
<li>In this context, we recently showed that Dissolution Dynamic Nuclear Polarization (d-DNP) could provide a unique way to detect 13C NMR metabolomics spectral signatures with a sensitivity enhanced by several orders of magnitude.4 After a systematic optimization of a prototype d-DNP equipment, we showed that 13C NMR at natural abundance could be applied to plant extracts and incorporated in a full metabolomics workflow. More recently, we reported the first dDNP-enhanced 13C NMR analysis of a biofluid -urine- at natural abundance, offering unprecedented resolution and sensitivity for this challenging type of sample.5 We also showed that accurate quantitative information on multiple targeted metabolites could be retrieved through a standard addition procedure. Finally, we incorporated this approach into a first clinical metabolomics study.6 The analysis of urine samples from patients with different stages of chronic kidney disease (CKD) was performed using 13C d-DNP NMR and conventional 1H NMR metabolomics to explore the complementarity between the two methods. Results from 13C d-DNP NMR highlighted several biomarkers known to be biologically relevant, but also showed interesting complementarity with conventional 1H NMR, while raising exciting challenges associated with the analysis of spectral fingerprints stemming from this new approach.
</li>
</ul>
Get More Gains: Increase Benchtop Utilization with Automation and Quantum Mechanics
<ul>
<li>Advances in benchtop NMR technology have been helping increase access to the technique across industries. However, challenges remain to enable analytical groups to free up their constrained high-field resources by transitioning work to the bench, including more challenging data analysis due to overlapping signals and variable levels of NMR experience. USP and Mestrelab Research have collaborated to address these challenges with the new USP-ID software, delivered by Mestrelab Research, which incorporates advanced algorithms and libraries of field-independent references to help scientists get more information from benchtop NMR spectra, faster, even when signals are heavily overlapped. Join us to learn more about this novel approach to automated qNMR analysis and see a live demo of USP-ID.</li>
</ul>
Unraveling the chemical complexity of polysorbate surfactants
<ul>
<li>Polysorbates are non-ionic surfactants used extensively in the development and manufacturing of pharmaceutical products. Despite their widespread use, evaluating the composition of polysorbates is difficult due to their heterogeneity. In this presentation, we will highlight several 1D and 2D NMR approaches to study the inherent chemical complexity of polysorbate surfactants at a molecular level. In addition, the use of NMR techniques to differentiate different classes of polysorbates and to investigate lot-to-lot variability will be discussed.</li>
</ul>
On a Schedule: Practical Non-Fourier Techniques for Deconvoluting Complex Formulation
<ul>
<li>Quantitative mixture analysis is a universal objective across all scientific arenas. Most reactions, consumer products, and formulations are complex mixtures of a number of known and unknown components. Accessing concentration information in an efficient and robust framework is critical in discovery and commercialization pipelines. The advent of modern programming accessibility and computational power has given experimentalists unprecedented access to sophisticated algorithms and mathematical machinery which can drastically improve spectral resolution. NMR spectroscopy is particularly well-poised for broad adoption of these machine leaning tools considering the plethora of spectral filtration and decoupling techniques available to work in concert with digital deconvolution techniques. This talk will focus on an unconventional paradigm – how NMR experiments can be purposely tailored for machine learning. Non-Fourier techniques such as Hadamard spectroscopy and non-uniform sampling (NUS) can be judiciously employed to partially deconvolute spectra. Orchestration of these bespoke excitation profiles and modern signal processing algorithms can produce spectra with exquisite resolution ready for efficient downstream analysis.</li>
</ul>
<blockquote>
Presenter: Prof. Patrick Giraudeau (Nantes University)
</blockquote>
<blockquote>
Prof. Patrick Giraudeau studied physics and chemistry at the University of Nantes, where he received his Ph.D. degree in 2008. Then he worked as a postdoctoral researcher in the Department of Chemical Physics at the Weizmann Institute of Science (Israel). In 2009, he became an associate professor at the University of Nantes, where he became a full professor in 2017, and where he now leads the analytical chemistry research group and the NMR facility. In 2014, he became a fellow of the Institut Universitaire de France, and he received a consolidator grant from the European Research Council in 2019. His research activities at the CEISAM research institute focus on the development of quantitative NMR methods for the analysis of complex mixtures, including applications to metabolomics and reaction monitoring. Research highlights include the development of fast multi-dimensional quantitative experiments at high field and also on benchtop spectrometers, as well as recent investigations in dissolution dynamic nuclear polarization. Prof. Patrick Giraudeau is the vice-president of the Ampere Society, a member of the Euromar Board of Trustees and of the executive board of MetaboHub. He is deputy editor of Magnetic Resonance in Chemistry (Wiley) and associate editor of Magnetic Resonance (Copernicus). He is the author of more than 120 peer-reviewed publications.
</blockquote>
<blockquote>
Presenter: Kristie Adams (Mestrelab Research)
</blockquote>
<blockquote>
Kristie boasts over twenty years of hands-on experience in the field of practical applied NMR spectroscopy, including expertise in a variety of nuclei and homo- and heteronuclear NMR protocols. She is highly skilled in NMR spectrometer operation, maintenance and troubleshooting, software and IT infrastructure support.
</blockquote>
<blockquote>
Additionally, she has wide-ranging expertise in NMR spectral data collection and data interpretation for a wide variety of materials and sample types, including small molecule drugs and excipients, polymers, biologics (peptides, proteins, glycopeptides, polysaccharides, DNA/RNA), foods and natural products (oleoresins, powdered spices, skim milk powder) and dietary supplements using structure elucidation techniques, one- and two-dimensional fingerprinting and natural variation studies.
</blockquote>
<blockquote>
Presenter: Ben Shapiro (US Pharmacopoeia)
</blockquote>
<blockquote>
Ben joined USP in 2020 and is responsible for digital product development aimed at transforming the way scientists receive and consume chemical reference information. Ben developed Quantitative Nuclear Magnetic Resonance (qNMR) software for NMR analysis applications in pharmaceutical R&amp;D, quality control, process chemistry, and analytical chemistry and is working to develop new categories of digital standards to help scientists ensure the quality of medicines they test. Ben also leads private sector business development for the Medicine Supply Map, a supply chain intelligence product that provides visibility of the generic pharmaceutical supply chain and drug shortage risks.
</blockquote>
<blockquote>
Ben holds a master of science degree in materials science and a bachelor of science degree in chemical engineering both from the University of Maryland, as well as an MBA from The Johns Hopkins University Carey Business School.
</blockquote>
<blockquote>
Presenter: José G. Napolitano (Genentech Inc.)
</blockquote>
<blockquote>
José G. Napolitano obtained his Ph.D. in chemistry from Universidad de La Laguna (Spain) in 2010, followed by a postdoctoral sojourn at the University of Illinois at Chicago in Guido Pauli’s group. His career in pharmaceutical industry began in 2013, when he joined AbbVie’s discovery organization in Lake County, IL. In late 2019, he joined Genentech’s synthetic molecule pharmaceutical sciences (SMPS) department in South San Francisco, CA, where he currently leads the structure elucidation group (SEG). His research interests include the application of qualitative and quantitative NMR approaches to solve complex structure elucidation problems, as well as the implementation of NMR to advance our understanding of chemical transformations.
</blockquote>
<blockquote>
Presenter: Ben Reiner (Dow Chemical)
</blockquote>
<blockquote>
Ben is currently an Associate Research Scientist in Core R&amp;D at Dow Chemical. He occupies a hybrid data science role emphasizing practical digital deployment. His research focuses on leveraging NMR spectroscopy and modern informatics approaches to understand fundamental materials properties from a molecular perspective. Ben is trained as a synthetic organometallic chemist; his expertise in spectroscopy has been afforded solely through brute force practice. Ben’s PhD training was split between Brandeis University and the Ohio State University. During graduate school he was a freelance spectroscopist for small, local pharmaceutical companies. He completed a postdoctoral fellowship at the University of Minnesota before joining Dow in early 2020. Outside of work Ben has also been a trained EMT and firefighter.
</blockquote>

PANIC: NEXT-GENERATION MIXTURE ANALYSIS TOOLS

NEXT-GENERATION MIXTURE ANALYSIS TOOLS

PANIC will host their summer webinar entitled "Next Generation Mixture Analysis Tools" on Thursday, July 18th, 2024 from 11am-1pm.

Explore the latest knowledge on the safety, authenticity and quality of food and beverages, as well as the technology that supports the critical work done to ensure the integrity of the food supply chain.
<h5>This online symposium will explore:</h5>
<ul>
<li>Untargeted analysis techniques used to ensure food authenticity</li>
<li>Sample preparation techniques for food applications</li>
<li>Use of thermal infrared imaging for salmonella detection</li>
<li>Elemental analysis for food and beverage testing</li>
<li>Miniaturized food analysis devices</li>
<li>Sustainable lab consumables for food analysis</li>
<li>Heavy metals in processed baby food</li>
<li>Residual analysis using GC/MS</li>
</ul>
<h3>Day 2 – July 25</h3>
<h5>16:00 – 16:40 BST Miniaturization of Analytics: A Better Control from Farm to Fork</h5>
<ul>
<li>Marta Prado, PhD (University of Santiago de Compostela)</li>
</ul>
<h5>16:40 – 16:50 BST Networking Break</h5>
<h5>16:50 – 17:10 BST Unleashing the Power of AI powered LIMS in Food and Beverage Testing</h5>
<ul>
<li>Daniel Call (LabVantage)</li>
</ul>
<h5>17:10 – 17:20 BST Networking Break</h5>
<h5>17:20 – 18:00 BST Heavy Metals in Processed Baby Food: Could Regulators be Doing More to Ensure Consumer Safety?</h5>
<ul>
<li>Robert Thomas (Scientific Solutions)</li>
</ul>
<h5>18:00 – 18:10 BST Networking Break</h5>
<h5>18:10 – 18:30 BST Sustainable Lab Consumables without Compromising Performance</h5>
<ul>
<li>Jack Gikonyo (Eppendorf Americas)</li>
</ul>
<h5>18:30 – 18:40 BST Networking Break</h5>
<h5>18:40 – 19:20 BST Applications of NIRS and NIR Imaging in Food</h5>
<ul>
<li>Vincent Baeten, PhD (Walloon Agricultural Research Centre)</li>
</ul>
<h5>19:20 BST Event Close</h5>

Technology Networks: Advances in Food and Beverage Testing 2024

Advances in Food and Beverage Testing 2024 (Day 2)

Explore the latest knowledge on the safety, authenticity and quality of food and beverages.

Digitalizing laboratory sample workflows is crucial yet challenging due to complex data types, resource constraints, and the need for integration, automation, training, and more.
But with CaliberLIMS, these challenges become opportunities. CaliberLIMS is a robust, scalable, and reliable platform designed to meet the demands of modern laboratories aiming for Pharma 4.0.
With the upgraded version, CaliberLIMS 4.0 enables users to effortlessly adopt a futuristic workflow that integrates instruments, workflows, and data across the entire laboratory. Packed with powerful features, this advanced software can enhance compliance, integrity, and productivity, making your laboratory tomorrow-ready.
Register now to secure your spot!
Learning Objectives:
<ul>
<li>Learn how LIMS application can accelerate laboratory efficiency </li>
<li>Explore how digitalization can be made easier with scalable solutions </li>
<li>Understand how to achieve seamless integrations with CaliberLIMS for automated workflows</li>
<li>Discover the latest advancements in Caliber 4.0</li>
</ul>
<blockquote>
Presenter: Kanimozhi Sivarajan (Informatics Manager, Shimadzu (Asia Pacific) Pte Ltd)
</blockquote>
<blockquote>
Dr. Kani is having 10 years of experince in Laboratory Management and Informatics Systems. She is serving as Informatics Manager at Shimadzu Asia Pacific, Singapore, providing Lab Informatics Solutions such as LabSolutions CS, LIMS and other QMS applications. She is supporting customers from various segments on implementing laboratory automation and responsible for providing consultation on streamlining Lab Workflows, Regulatory Compliance requirements for Electronic Data Management and Lab Practices/Analysis. 
</blockquote>

Shimadzu: Elevating Pharma 4.0: Harnessing CaliberLIMS For Digital Excellence

Elevating Pharma 4.0: Harnessing CaliberLIMS For Digital Excellence

CaliberLIMS is a robust, scalable, and reliable platform designed to meet the demands of modern laboratories aiming for Pharma 4.0.

 Pharma 4.0: CaliberLIMS For Digital Excellence

Elemental impurities are trace metals or elements that can be present in pharmaceuticals, impacting product safety and efficacy.
USP General Chapter &lt;232&gt; provides guidelines for controlling elemental impurities in pharmaceuticals, ensuring they meet acceptable levels for human consumption. Compliance with USP &lt;232&gt; is crucial for regulatory approval and maintaining product quality and safety.
Register to attend this Webinar and learn:
<ul>
<li>Elemental impurities as per USP 232/USP 233 and ICHQ3D
</li>
<li>Dive into the innovation that powers USP-232 guidelines
</li>
<li>Agilent&#39;s MH software with Agilent&#39;s complete workflow solutions
</li>
<li>Basic maintenance and early maintenance feedback of ICP-MS
</li>
</ul>
<blockquote>
Presenter: Dr. Kuldeep Sharma (Sales Development Manager - Pharma, Agilent Technologies)
</blockquote>
<blockquote>
Kuldeep Sharma has over 19 years of experience in area/s of Bioanalytical research, Drug metabolism &amp; pharmacokinetics and Pharma regulatory compliance. He has accomplished PhD in Biotechnology. His professional journey covers over 12 years in Analytical research (associated with R&amp;D’s of Zydus Cadila, Lambda, Pliva and Jubilant Biosys) and last 7 years in analytical instruments sales, marketing &amp; business development. With over 21 research articles published in international Journals, He presents convention of continues learning.
</blockquote>
<blockquote>
Presenter: Mr. Radhey Shyam (Application Specialist - Spectroscopy, Agilent Technologies)
</blockquote>
<blockquote>
Radhey Shyam is an Application Scientist responsible for Elemental Spectroscopy Solutions at Agilent Technologies at Centre of Excellence (COE) Lab, Manesar. He has been assisting in the development of new methods and applications, as well as providing training and educational activities for customers across various sectors on spectroscopy solutions and technologies for the past 10+ years. He has authored several publications in international journals. In addition, he has also contributed to global application and solution notes from Agilent, with a focus on spectroscopy Market.&quot;
</blockquote>
<blockquote>
Presenter: Mr. Ankush Sharma (Regional Marketing Program Manager- APAC (Pharma &amp; Biopharma), Agilent Technologies)
</blockquote>
<blockquote>
Ankush Sharma is a seasoned professional with over 12 years of extensive experience in sales and marketing across the pharmaceutical and biopharmaceutical sectors. His professional journey commenced with a strong educational foundation, earning a Master&#39;s degree in Biotechnology. Building upon this knowledge, he furthered his academic pursuits by obtaining a Master&#39;s in Business Administration with a specialization in Sales and Marketing, demonstrating his commitment to blending scientific understanding with strategic business acumen. For the past five years, he has been an integral part of Agilent, serving as the Regional Marketing Program Manager for the India and now Asia-Pacific (APAC) region for Pharma and Biopharma Markets.
</blockquote>

Agilent Technologies: Demystifying USP & ICHQ3D Guidelines for Elemental Impurities

Demystifying USP & ICHQ3D Guidelines for Elemental Impurities

Elemental impurities as per USP 232/USP 233 and ICHQ3D.

Demystifying USP & ICHQ3D Guidelines for Elemental Impuritie

Software can help streamline critical processes in therapeutic analysis, enhancing efficiency, ensuring compliance and maintaining product quality.This webinar explores how to implement digitization to accelerate decision-making, meet regulatory demands and eliminate bottlenecks in biotherapeutic development, helping to drive new therapeutics into the clinic. Attend this webinar to:<ul><li>Explore how analytical software can streamline and automate critical processes in therapeutic development</li><li>Understand how digital solutions can overcome bottlenecks in analytical testing</li><li>Discover best practices and strategies for harnessing the power of software</li></ul><blockquote>Presenter: Makesh Karpagavinayagam (Sr. Manager, Product Manager, at Thermo Fisher Scientific)Makesh Karpagavinayagam serves as the Senior Manager of Product Management at ThermoFisher Scientific, overseeing Rapid Microbial Identification and Software products that ensure the quality, safety and potency of pharmaceutical products. With over a decade of experience, Makesh has led product management teams, launched customer-centric products and collaborated with R&amp;D groups to provide high-quality genetic analysis solutions for applications in biopharma, forensics and academia.</blockquote>

Technology Networks: Streamlining Data for Superior Therapeutic Manufacturing

Streamlining Data for Superior Therapeutic Manufacturing

Explore how to implement digitization to accelerate decision-making, meet regulatory demands and eliminate bottlenecks in biotherapeutic development.

Automated lab workflows often require many interactions with pre-existing in-house and commercial software systems. This webinar uses the real example of building a purification factory, to give some insights on how this can be done with Mestrelab tools in conjunction with in-house and commercial software.<div data-aos-delay="0" data-aos-duration="1000"><div>Join us for an insightful webinar where we’ll demonstrate how to integrate Mestrelab’s tools into a complex IT ecosystem to automate lab workflows. Using a real-world example, we'll show you how to build a purification factory that seamlessly connects in-house and commercial software systems.<p data-ccp-props="{&quot;335551550&quot;:1,&quot;335551620&quot;:1,&quot;335559683&quot;:0,&quot;335559685&quot;:0,&quot;335559731&quot;:0,&quot;335559737&quot;:0,&quot;335562764&quot;:2,&quot;335562765&quot;:1,&quot;335562766&quot;:4,&quot;335562767&quot;:10,&quot;335562768&quot;:4,&quot;335562769&quot;:0}">Who Should Attend?​<ul style="font-weight:400;"><li data-charcodes="8226" data-font="Arial,Sans-Serif" data-buautonum="8" data-aria-posinset="1" data-aria-level="1">Lab Managers and Scientists looking to automate and enhance lab workflows​</li><li data-charcodes="8226" data-font="Arial,Sans-Serif" data-buautonum="8" data-aria-posinset="2" data-aria-level="1">IT and Automation Specialists in life sciences or chemical industries seeking integration solutions​</li><li data-charcodes="8226" data-font="Arial,Sans-Serif" data-buautonum="8" data-aria-posinset="3" data-aria-level="1">Anyone interested in embedding Mestrelab tools into a powerful, scalable IT infrastructure</li></ul><blockquote>Presenter: John Hollerton (Senior Scientific Director, Mestrelab Research)John has over 40 years of experience in the scientific and informatics fields at GSK and its predecessor companies. He has managed various analytical functions, including NMR, X-ray crystallography, mass spectrometry, physical chemistry, and chromatography, and has expertise in chemical structure representation and registration. In informatics, he led projects to create a global scientific data management system and wrote software for instrument control, data transformation, and analysis. His team developed software to automate LCMS purification factories in the US and UK.&nbsp;</blockquote></div></div>

Mestrelab: Building a Purification Factory: Embedding Mestrelab Tools into a Rich IT Infrastructure

Building a Purification Factory: Embedding Mestrelab Tools into a Rich IT Infrastructure

We’ll demonstrate how to integrate Mestrelab’s tools into a complex IT ecosystem to automate lab workflows.

Embedding Mestrelab Tools into a Rich IT Infrastructure

The pharma industry and data integrity can be mentioned in the same breath, including Anton Paar's measuring equipment, where data protection is integral to the device.Data integrity has now been extended from the device to the AP Connect Pharma edition. This software allows you to store, verify, and validate your data easily in your own SQL database. Now there is also the possibility to link non-Anton Paar devices with this software allowing us to automate your entire lab!To show you all the possibilities of data integrity on our devices and AP Connect, we are setting up a webinar 'Data Integrity' on February 6th, 2025, from 10 am till noon.During this webinar, we will cover topics such as:<ul><li>Pharma Qualification according to 21 CFR part 11 of your device and software</li><li>Data Integrity with Audit Trail at device and software level</li><li>AP Connect Pharma client-server-based software for verification, and validation with the possibility of Active Directory</li><li>Virtual demonstration</li></ul>Guest speakers Georg Roth and Wolfgang Zichner, from Anton Paar GmbH, and our Belgian specialists will guide you through this interesting subject matter.On top of this, all participants receive our specially designed e-book "Field Guide to Data Integrity in Regulated Industries" and a coffee break package** will only be sent to participants in Belgium and Luxembourg.

Anton Paar: Data Integrity - the Anton Paar way

Data Integrity - the Anton Paar way

Data integrity has now been extended from the device to the AP Connect Pharma edition. This software allows you to store, verify, and validate your data easily.

ICPMS webinars focusing on Software | LabRulez ICPMS