Join us for a fascinating conversation with Dr. Subhoja Chakraborty from the University of Central Florida, whose cutting-edge research targets the global challenge of malaria drug resistance. Dr. Chakraborty shares her journey from structure-based drug design during her PhD to her recent collaborative work repurposing human kinase inhibitors as rapid, selective antimalarials against drug-resistant Plasmodium falciparum strains.<h4>In this episode, you'll learn:</h4><ul><li>How structure-guided approaches reveal potential drug targets, including cysteine proteases like falcipain-2, and kinases implicated in malaria's complex life cycle.</li><li>The power of repurposing kinase inhibitors originally developed for cancer and other diseases, focusing on compound 12, which blocks hemozoin formation and protein kinase 6—key steps in parasite survival.</li><li>Lab techniques such as affinity, gel filtration, and size exclusion chromatography for recombinant protein purification—and how troubleshooting is crucial for high-yield, stable complexes.</li><li>Advances in mass spectrometry for characterizing protein interactions, validating drug targets, and mapping molecular pathways pivotal to malaria therapeutics.</li><li>Tips and lessons for new researchers facing the challenges of sample preparation, complex protocols, and working as part of a collaborative team.</li></ul>Dr. Chakraborty’s insights bridge the gap between basic science and translational drug discovery, offering hope for more effective, targeted malaria treatments in a world where resistance to frontline therapies threatens millions.<h4>Referenced Papers:</h4><ul><li>"Plasmodium falciparum protein kinase 6 and hemozoin formation are inhibited by a type II human kinase inhibitor exhibiting antimalarial activity" (Cell Chemical Biology, 2025)</li><li>"New insights of falcipain 2 structure from Plasmodium falciparum 3D7 strain" (BBRC, 2022)</li><li>"Structure-Based Optimization of Protease−Inhibitor Interactions to Enhance Specificity of Human Stefin‑A against Falcipain‑2 from the Plasmodium falciparum 3D7 Strain" (Biochemistry, 2023)</li></ul>If you’re a student, scientist, or simply passionate about advances in infectious disease research, this episode offers actionable insights, inspiring advice, and a front-row seat to innovation in combating malaria.<h3>Video Transcription</h3><h4>From Structural Biology to Drug Discovery: Chromatography and Mass Spectrometry in Malaria Research</h4><h5>Introduction</h5>In this discussion, Subhoja shares insights into her research journey, focusing on malaria drug discovery and the role of modern analytical techniques in biological and biomedical research. The conversation is aimed primarily at undergraduate students and early-career researchers interested in chemistry, biotechnology, and life sciences.<h5>Research Focus: Malaria Drug Discovery and Kinase Targets</h5>Subhoja is currently involved in malaria drug discovery research at the University of Central Florida, where she has been working since beginning her postdoctoral position two years ago. Her earlier PhD research focused on structure-based drug design in malaria, using a combination of in silico approaches, recombinant protein expression, and X-ray crystallography to determine precise three-dimensional structures of target proteins and their inhibitors.This structural perspective provided a foundation for her current work, which centers on drug discovery through compound screening and repurposing. A recent publication from her laboratory explores the use of repurposed mammalian CDK-like kinase inhibitors as potential antimalarial agents. While such kinase inhibitors are well known in cancer and cardiovascular research, their application to malaria targets represents a novel and promising approach.Kinases are attractive drug targets because of their central role in cell signaling and growth pathways. By targeting specific kinases involved in different stages of the malaria parasite life cycle—whether asexual growth, gametocytogenesis, or differentiation—it may be possible to significantly inhibit parasite growth and progression.<h5>Chromatography in Protein Expression and Purification Workflows</h5>Chromatography plays a critical role throughout Subhoja’s research. Her experience spans from basic chromatography techniques during her early training to advanced protein purification workflows using affinity chromatography, gel filtration (size exclusion chromatography), and ion exchange chromatography.Recombinant proteins are routinely purified using affinity resins such as nickel or cobalt, followed by further purification to remove contaminants. Fast Protein Liquid Chromatography (FPLC) enables compact, stepwise purification workflows suitable for producing proteins for in vitro assays.A recurring challenge in this process is the expression of high-molecular-weight proteins, which often accumulate in insoluble fractions or inclusion bodies. Careful selection of expression vectors, host systems, and induction conditions is therefore essential to maximize yield and solubility.<h5>Integrating Size Exclusion Chromatography into the Workflow</h5>Size exclusion chromatography (SEC) is typically used after affinity purification to further improve protein purity. Following elution with imidazole or glutathione, desalting is required to prevent buffer components from interfering with downstream assays. This is often achieved using desalting columns such as G-25 or PD-10.To remove lower-molecular-weight contaminants, finer SEC media—such as Superdex or Sephacryl columns—are employed. Concentration steps using molecular-weight cut-off filters are then applied to obtain the desired protein concentration for functional studies.These iterative purification and troubleshooting steps are a routine part of protein biochemistry and reflect the importance of methodical optimization and careful validation.<h5>The Role of Mass Spectrometry in Biomolecular Characterization</h5>Mass spectrometry is a key analytical tool in Subhoja’s research pipeline, particularly for target identification and validation. In both malaria and cancer research, MS is used alongside chromatography, immunoprecipitation, and pull-down assays to study protein interactions and molecular recognition events.Affinity-based mass spectrometry enables the identification of binding partners and interactors, whether studying proteins, long non-coding RNAs, or protein complexes. Techniques such as native MS, tandem affinity purification, and proximity labeling (e.g., TurboID-based workflows) provide deeper insights into molecular networks and signaling pathways.These approaches are essential for understanding how candidate drug targets function within complex biological systems.<h5>Sample Preparation Challenges in Biological Research</h5>Sample preparation remains one of the most challenging aspects of biological experimentation. Whole-cell lysates contain proteases, nucleases, and other components that can rapidly degrade target molecules. Preventing degradation requires minimizing preparation time, maintaining low temperatures, and using appropriate inhibitor cocktails.Reproducibility is also critical: biological experiments require multiple replicates, and variability is often unavoidable. Careful handling, protocol optimization, and continuous troubleshooting are essential to ensure reliable results, whether preparing samples for chromatography, mass spectrometry, sequencing, or immunoprecipitation.<h5>Advances in Chromatography and MS for Malaria Research</h5>Modern advances in chromatography and mass spectrometry significantly enhance malaria research by enabling precise target identification, quantification, and functional characterization. Drug discovery workflows begin with construct design and recombinant expression, followed by purification and interaction studies.In malaria research, stage-specific parasite biology requires careful extraction and analysis of proteins from different life cycle stages. Tandem affinity MS, immunoprecipitation, and in vivo validation studies help confirm target relevance and therapeutic potential.Recent work on repurposed kinase inhibitors has shown promising results, including inhibition of hemozoin formation—a key detoxification pathway for the malaria parasite—highlighting the potential of such compounds for further development.<h5>Malaria, Drug Resistance, and Global Impact</h5>Malaria remains a major global health burden, with over 600,000 deaths annually and widespread drug resistance complicating treatment. Artemisinin resistance, particularly associated with mutations in the K13 propeller domain, has driven the search for new targets and therapies.During her PhD, Subhoja focused on falcipain-2, a cysteine protease involved in hemoglobin degradation within the parasite. This pathway is critical for parasite survival and has emerged as a promising drug target. Her work revealed that falcipain-2 operates within a larger protein complex responsible for hemoglobin processing and amino acid release.Understanding these molecular mechanisms is essential for developing robust, stage-specific antimalarial strategies.<h5>Advice for Early-Career Researchers</h5>For researchers just starting out, Subhoja emphasizes the importance of hands-on experience. Working directly with cells, lysates, and analytical tools is essential for truly understanding experimental systems. Failure is an inherent part of research, and perseverance is key.Motivation, teamwork, careful sample handling, and thorough preparation all contribute to long-term success. Reading extensively, critically evaluating one’s own work, and appreciating incremental progress are vital aspects of a sustainable research career.Every successful experiment—no matter how small—represents meaningful progress and contributes to the broader goals of science and medicine.<h5>Closing Remarks</h5>The discussion highlights how interdisciplinary approaches combining chromatography, mass spectrometry, structural biology, and biochemistry are driving advances in malaria drug discovery. Through careful experimental design, analytical rigor, and collaborative teamwork, researchers can address complex biological challenges and contribute to global health solutions.<blockquote>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.</blockquote><blockquote><h4>Concentrating on Chromatography Podcast</h4>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!You can find Concentrating on Chromatography Podcast in podcast apps:<ul><li><a target="_blank" rel="noopener noreferrer" href="https://open.spotify.com/show/1wZg67rCjoGju4yhqxI3tL">Spotify</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://podcasts.apple.com/tz/podcast/concentrating-on-chromatography/id1788429185">Apple podcast</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://podscan.fm/podcasts/concentrating-on-chromatography">podscan</a></li></ul>and on <a target="_blank" rel="noopener noreferrer" href="https://www.youtube.com/@ChromatographyTalk/videos">YouTube channel</a></blockquote>

Affinity, Gel Filtration, Size Exclusion Chromatography: Repurposing Kinase Inhibitors for Malaria

In the week of February 9, the following webinars await you in the field of liquid phase and especially HPLC and LC/MS.<blockquote><h4><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinars">👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</a></h4>👉 Search and filter in the largest global database with over 5 000 GC, LC, MS and spectroscopy webinars.</blockquote><h5>1. SelectScience: High-Throughput Stability Screening Strategies for Antibody Formulation</h5><ul><li>Tu, 10.2.2026 17:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5807">Registration</a></li></ul>Learn how high-throughput DLS/SLS and rapid-screening DSC accelerate stability assessment of high-concentration antibody formulations, enabling faster, data-driven biologics development.<h5>2. Phenomenex: Big Scale, Big Wins – Prep Chromatography Explained</h5><ul><li>We, 11.2.2026 10:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5793">Registration</a></li></ul>Learn how to scale analytical methods to preparative HPLC, optimize loading capacity, and understand the limits of preparative columns for pharmaceutical applications.<h5>3. ALS Czech Republic: PFAS in Food &amp; Food Contact Material</h5><ul><li>We, 11.2.2026 15:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5816">Registration</a></li></ul>Get a practical overview of PFAS in food and food contact materials, including EU and US regulations, key analytical challenges, and reliable PFAS testing strategies.<h5>4. New Food Magazine: The Science of Next-Gen Ingredients – Fermentation, Formulation and Function</h5><ul><li>We, 11.2.2026 16:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5720">Registration</a></li></ul>Explore how fermentation-driven innovation is transforming functional food ingredients and how advanced analytics optimize flavour, functionality, and stability.<h5>5. SCIEX: Accurate Mass Fundamentals – Interpreting and Applying Your Data</h5><ul><li>We, 11.2.2026 19:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5772">Registration</a></li></ul>Session 3 focuses on interpreting and applying accurate mass data to confirm compound identity, move beyond basic quantitation, and troubleshoot results for confident reporting.<h5>6. Agilent Technologies: Process Analytical Techniques – Online HPLC for Real-Time Monitoring and Control of Bioprocesses</h5><ul><li>Th, 12.2.2026 06:30 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5834">Registration</a></li></ul>Discover how PAT HPLC enables near-real-time monitoring of critical quality attributes in bioprocessing, with a case study on charge-variant control by cation-exchange chromatography.<h5>7. Thermo Fisher Scientific: Introducing the Orbitrap Excedion Pro Hybrid MS</h5><ul><li>Th, 12.2.2026 11:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5889">Registration</a></li></ul>Discover the new Orbitrap Exploris Pro with expanded ETD/EThcD capabilities for confident biopharmaceutical characterization, including intact proteins, PTMs, ADCs, and large biomolecules.<h5>8. Waters Corporation: Planning Your NuGenesis Upgrade – Insights and Best Practices for a Smooth Transition</h5><ul><li>Th, 12.2.2026 19:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5833">Registration</a></li></ul>Learn how to plan a successful NuGenesis upgrade, transition to Windows 11, and unlock new capabilities such as dashboards for real-time operational insights.<h5>9. Thermo Fisher Scientific: Comprehensive Analytical Strategies for Peptide Therapeutics and GLP-1 Agonists with Agilent</h5><ul><li>Th, 12.2.2026 19:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5814">Registration</a></li></ul>Explore analytical workflows for peptide therapeutics, including method development, peptide mapping, GLP-1 QC, and LC-MS strategies across Agilent platforms.<h5>10. Agilent Technologies: Moving from R&amp;D and Limited QC on a UV-Vis-NIR Instrument to Large-Scale QC Using an Autosampler</h5><ul><li>Th, 12.2.2026 20:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/2104">Registration</a></li></ul>This webinar covers practical aspects of adding and using an autosampler to maximize UV-Vis-NIR QC workflows at scale.<h5>11. Agilent Technologies: LC Method Transfer – Hidden Challenges &amp; Absolute Solution</h5><ul><li>Fr, 13.2.2026 06:30 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5787">Registration</a></li></ul>Discover why LC method transfer between legacy and modern systems is challenging, which hidden parameters affect retention and peak shape, and how to achieve robust, reliable results.

Webinars LabRulezLCMS Week 07/2026

Charge detection mass spectrometry (CDMS) allows direct mass determination of individual ions and is increasingly used to study heterogeneous biological samples. This work demonstrates the use of Orbitrap-based CDMS/Direct Mass Technology (DMT) for quantitative analysis of transthyretin (TTR) tetramer samples below 100 kDa, extending CDMS beyond its traditional qualitative role.DMT resolved wild-type and C-terminally modified TTR homotetramers, as well as hybrid tetramers, enabling kinetic analysis of subunit exchange and stability. The approach also quantified thyroxine binding to TTR variants, revealing differences in binding affinity linked to C-terminal modification. By separating overlapping m/z signals through charge measurement, CDMS enables accurate mass and abundance determination, highlighting its potential for quantitative analysis of complex protein systems.<blockquote><h4>The original article</h4><h4><a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.5c05771">Dissecting Heterogeneous Populations of Protein-Complex Samples Using Direct Mass Technology</a></h4>Robert L. Rider, Jared Hampton, Zhenyu Xi, Carter Lantz, Sangho D. Yun, Weijing Liu, Rosa Viner, Arthur Laganowsky, and David H. Russell*Anal. Chem. 2025, 97, 49, 27057–27063<a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1021/acs.analchem.5c05771">https://doi.org/10.1021/acs.analchem.5c05771</a><h6>licensed under <a target="_blank" rel="noopener noreferrer" href="https://creativecommons.org/licenses/by/4.0/">CC-BY 4.0</a></h6></blockquote>Selected sections from the article follow. Formats and hyperlinks were adapted from the original.Transthyretin (TTR) is a homotetrameric transport protein that circulates in plasma and cerebrospinal fluid, delivering thyroxine (T4) and retinol-binding protein–vitamin A complexes. <a href="javascript:void(0);">(1)</a> The stability of the TTR tetramer is central to its physiological role because dissociation into monomers can initiate misfolding and amyloid formation, leading to systemic or hereditary transthyretin amyloidosis. <a href="javascript:void(0);">(2)</a> Subunit exchange between wild-type (WT) and variant TTR proteoforms, including disease-associated mutations such as V30M and V122I, have been implicated in amyloid progression by generating hybrid tetramers (tetramers containing WT and mutant subunits) with altered stabilities. <a href="javascript:void(0);">(3,4)</a> Ligand binding, particularly at the two thyroxine-binding sites located at the dimer–dimer interface, can kinetically stabilize the tetramer and modulate amyloidogenicity. <a href="javascript:void(0);">(5,6)</a> Accurate measurement of both subunit exchange kinetics and ligand binding stoichiometry is therefore critical for elucidating the TTR dynamics and stability.Affinity or sequence tags are widely employed in protein expression, purification, or detection. <a href="javascript:void(0);">(7,8)</a> While these tags are often assumed to be inert, their influence on protein structure and dynamics are rarely examined in detail. <a href="javascript:void(0);">(9,10)</a> Protein tags at the N- and C-terminus of TTR have been shown to have differing gas phase stabilities from those of WT-TTR. <a href="javascript:void(0);">(11)</a> The C-terminus is of particular interest because this region participates in the dimer–dimer interface that governs tetramer stability. <a href="javascript:void(0);">(11,12)</a> Characterizing how the C-terminal tag (CT) (-ASGENLFYQ) affects TTR’s solution stability and ligand binding is not only relevant for understanding TTR dynamics but also provides an example of how expression tags can alter protein dynamics. <a href="javascript:void(0);">(13)</a>Native mass spectrometry (nMS) has been invaluable for characterizing protein complexes, <a href="javascript:void(0);">(14)</a> yet conventional nMS often struggles with heterogeneous samples where overlapping charge state distributions and adduct heterogeneity limit resolution and quantitation. <a href="javascript:void(0);">(15)</a> Charge detection mass spectrometry (CDMS) addresses these limitations by independently measuring the charge and m/z of individual ions, enabling the direct determination of molecular mass and abundance. Development of CDMS has largely focused on achieving higher mass resolution <a href="javascript:void(0);">(16)</a> and extending measurements toward assemblies into the GDa range. <a href="javascript:void(0);">(17,18)</a> However, there is untapped utility for CDMS experiments other than mass and proteoform determination. Jordan et al. showed the capability to assess conformational heterogeneity of mAb aggregates using the added charge dimension that CDMS provides. <a href="javascript:void(0);">(19)</a> The current work demonstrates that CDMS can separate proteoforms with overlapping m/z values based on charge and quantify their relative abundances in complex mixtures. While nMS is already a highly quantitative technique, our results establish CDMS as an equally powerful tool for quantitative analysis in heterogeneous systems. <a href="javascript:void(0);">(20,21)</a>Here, we apply Orbitrap-based CDMS/Direct Mass Technology (DMT) using the selective temporal overview of resonant ions (STORI) approach <a href="javascript:void(0);">(22,23)</a> to quantitatively compare WT-TTR and CT-TTR, focusing on two biologically relevant properties: tetramer stability assessed via subunit exchange kinetics and ligand-binding affinity. Conventional nMS cannot fully resolve the overlapping charge states of WT- and CT-TTR or their ligand-bound states. However, DMT can resolve these species by directly measuring the mass (m/z × charge), enabling quantitation of all proteoforms. The data reveal that the CT tag alters tetramer stability and thyroxine-binding affinity, demonstrating the structural sensitivity of TTR to modifications at its C-terminus. More broadly, this work demonstrates the impact that protein tags can have on native protein interactions and highlights the broader utility of quantitative CDMS for probing heterogeneous biological samples.<h4>Experimental Section</h4><h5>Data Collection</h5>All experiments were conducted on a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/560">Thermo Scientific Q-Exactive UHMR</a> with added DMT capabilities (Bremen, Germany). Before DMT, mass spectra were collected at various resolving powers (6–200k) for each sample, with the instrument parameters reported in the Supporting Information (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.analchem.5c05771/suppl_file/ac5c05771_si_001.pdf">Table S1</a>). For DMT experiments, the trapping gas pressure in the HCD cell was reduced to 0.3–0.8 to attenuate the signal intensity to a single ion level, as well as decreasing the UHV pressure to assist ion retention through the entire transient of Orbitrap analysis. We observed no significant difference between mass spectra collected at various HCD cell pressures (Supporting Information, <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.analchem.5c05771/suppl_file/ac5c05771_si_001.pdf">Figure S1</a>). For DMT collection, automated ion control (AIC) and 100% target density were used with 200k resolving power.<h4>Results and Discussion</h4>CDMS has emerged as a powerful tool for analyzing heterogeneous biomolecular samples, enabling accurate, direct mass determination by simultaneously measuring the charge and m/z for individual ions. While CDMS has been widely applied for qualitative analyses, its potential for quantitative and less than MDa applications remains underexplored. <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.5c05771#fig1">Figure 1</a>A shows the theoretical mass spectrum of WT-TTR (14+ to 16+) and CT-TTR (15+ to 17+) homotetramers, where the two proteoforms become increasingly resolved as the charge states increase (&lt;3900 m/z). <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.5c05771#fig1">Figure 1</a>B zooms in on the 14+ (WT) and 15+ (CT) charge states, highlighting their strong overlap, which prevents accurate deconvolution of the proteoforms by conventional methods. <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.5c05771#fig1">Figure 1</a>C displays theoretical distributions for 0, 1, and 2 T4 bound states of both WT- and CT-TTR tetramers, where &lt;3900 m/z has observable separation between all proteoforms. However, for the 14+ and 15+ charge states of WT- and CT-TTR, respectively, the 0 T4- and 1 T4-bound populations overlap (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.5c05771#fig1">Figure 1</a>D). Furthermore, commonly adducted species (Na+, K+, and Zn2+) observed in experimental spectra broaden these distributions, making it increasingly difficult to distinguish and deconvolute the proteoforms (see <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.analchem.5c05771/suppl_file/ac5c05771_si_001.pdf">Figure S2</a>). Here, we employ Orbitrap-based CDMS/DMT to overcome this m/z overlap to resolve and quantify hybrid tetramer formation and T4 binding.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Anal_Chem_2025_97_49_27057_27063_Figure_1_A_Theoretical_mass_spectra_of_WT_TTR_and_CT_TTR_homotetramers_47232849d9.jpg" alt="Anal. Chem. 2025, 97, 49, 27057–27063: Figure 1. (A) Theoretical mass spectra of WT-TTR and CT-TTR homotetramers. (B) Zoomed-in view of the 14+ WT-TTR and 15+ CT-TTR distributions to show the large overlap of the proteoforms. (C) Theoretical mass spectra of WT-TTR and CT-TTR homotetramers with thyroxine (T4) binding. (D) Zoomed-in view of the 14+ WT-TTR and 15+ CT-TTR distributions where the 0 and 1 T4 have overlapping distributions. These theoretical distributions do not contain any commonly adducted species (Na+, K+, Zn2+), which broaden the distributions and create more overlap even for the proteoforms in the range 3300–3900 m/z (see Figure S2)." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Anal_Chem_2025_97_49_27057_27063_Figure_1_A_Theoretical_mass_spectra_of_WT_TTR_and_CT_TTR_homotetramers_47232849d9.jpg 187w," sizes="100vw" width="1417" height="1182"><h5>Thyroxine Binding to TTR Homotetramers</h5>Thyroxine is the less active form of a thyroid hormone important for metabolism that binds to TTR for transport throughout plasma and cerebral spinal fluid. <a href="javascript:void(0);">(31)</a> Turnover of T4 into T3 (active) occurs after dissociation, where it can then modulate gene expression via binding to nuclear receptors. <a href="javascript:void(0);">(32)</a> The TTR tetramer gains substantial stability as it binds up to 2 T4 at the tetramer interface, decreasing tetramer dissociation and SUE. <a href="javascript:void(0);">(33)</a> This has been shown previously to decrease the amyloidogenic rate of TTR, which led to tafamidis (similar in structure to T4) to be designed and is currently the only drug that is approved for clinical treatment of TTR amyloidosis. <a href="javascript:void(0);">(34)</a> Measuring the difference in binding affinity between TTR proteoforms may provide insight into regions of TTR or TTR intermolecular/intramolecular interactions that are important for binding of small molecules such as tafamidis and T4.DMT was further applied to quantify T4 binding to WT- and CT-TTR homotetramers, highlighting the technique’s utility in probing protein–ligand interactions. <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.5c05771#fig3">Figure 3</a>A shows a representative mass spectrum of TTR homotetramers in the presence of T4. While ligand-bound species can be observed, homotetramers cannot be confidently resolved across the entire 3000–5000 m/z range. By leveraging the charge-resolving capabilities of DMT, we achieve separation of the homotetramers (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.5c05771#fig3">Figure 3</a>B,C) and the 0, 1, and 2 ligand-bound states. The 2D plot clearly shows the gain in resolution achieved when charge is simultaneously measured with m/z by separating the 14+ and 15+ charge states for WT and CT, respectively, in the range 3900–4200 m/z. Additionally, using ion mobility does not provide the same kind of 2D resolution due to the similarity in arrival times for the homotetramer proteoforms, as evidenced by <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.analchem.5c05771/suppl_file/ac5c05771_si_001.pdf">Figures S4 and S5</a> (see the Supporting Information). These data provide evidence that when ion mobility is able to separate out species that overlap in m/z yet differ in mobility, CDMS could be an alternative or used complementarily since the species likely also differ in charge.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Anal_Chem_2025_97_49_27057_27063_Figure_3_A_Mass_spectra_of_WT_TTR_and_CT_TTR_homotetramers_with_thyroxine_binding_61b1e98a94.jpg" alt="Anal. Chem. 2025, 97, 49, 27057–27063: Figure 3. (A) Mass spectra of WT-TTR and CT-TTR homotetramers with thyroxine binding. Ligand binding can be resolved, but homotetramers cannot be confidently identified. Charge states labeled are for WT; CT is always one charge state higher at the same m/z range. (B) DMT heatmap resolving WT-TTR and CT-TTR homotetramers with the additional measurement of charge. (C) Deconvoluted mass spectrum from DMT analysis. Both homotetramers and their ligand binding are resolved, and fit for analysis is shown in red. (D) Mole fraction of each homotetramer and their thyroxine binding species. Error bars represent the standard deviation of replicates (n = 3). The significance for each ligand state is in respect to the left adjacent state. *p &lt; 0.05." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Anal_Chem_2025_97_49_27057_27063_Figure_3_A_Mass_spectra_of_WT_TTR_and_CT_TTR_homotetramers_with_thyroxine_binding_61b1e98a94.jpg 181w," sizes="100vw" width="1266" height="1094"><h4>Conclusion</h4>This work demonstrates that quantitatively, Orbitrap-based CDMS/DMT can determine differences in protein-complex stability and ligand binding. By directly comparing WT- with CT-TTR, we show that the CT tag accelerates tetramer dissociation while enhancing T4 binding affinity. These results indicate that the C-terminus, located at the dimer–dimer interface, plays a more significant role in TTR stability and ligand recognition than previously appreciated. <a href="javascript:void(0);">(12)</a> Even the addition of a short peptide sequence perturbs noncovalent interactions at the interface, likely altering solvent accessibility, and the dynamics of the thyroxine binding channel. <a href="javascript:void(0);">(37,54)</a> Such findings underscore the importance of evaluating how seemingly minor sequence modifications, such as affinity tags, can influence fundamental biophysical properties.Beyond TTR, this work positions quantitative CDMS as a broadly applicable strategy for analyzing heterogeneous protein systems, where charge domain separation overcomes the resolution limits of m/z domain measurements in traditional nMS experiments. While much of the field has emphasized extending CDMS to ultrahigh masses and maximal resolution, <a href="javascript:void(0);">(16,18)</a> our results highlight the underexplored potential of applying the method in the 1000–10,000 m/z range common to nMS experiments. This capability is directly relevant to heterogeneous membrane protein complexes, which often display broad distributions of oligomeric states, PTMs, lipid, and ligand adducts that complicate spectra. <a href="javascript:void(0);">(48,55)</a> Similarly, mAbs can oligomerize and exhibit mass heterogeneity from variable glycosylation, affecting pharmacokinetics, effector function, and stability. <a href="javascript:void(0);">(19)</a> CDMS may resolve and quantify such proteoforms in a single experiment without the need for charge reduction or chemical derivatization. <a href="javascript:void(0);">(48,56,57)</a>

Dissecting Heterogeneous Populations of Protein-Complex Samples Using Direct Mass Technology

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

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SCIEX

Waters Corporation

Join us for an exclusive two-day event where Agilent will showcase cutting-edge biopharma solutions.
The first day of the event we will explore Agilent’s comprehensive portfolio for the spectrum of applications from drug discovery to quality control. Learn more about our cell analysis and genomics expertise and the tools we provide to drive IVT mRNA development, protein therapeutics and cell and gene therapies
The second day will focus on advanced analytical solutions, including HRMS for tRNA sequencing and LC/MS for DNA/RNA analysis. Learn how to scale up oligonucleotide purification with Agilent biocolumns, which enhance the efficiency and accuracy of your processes.
By attending this event you will:
<ul>
<li>Gain insights from Agilent to optimize biotherapeutic workflows, including rigorous quality testing in cGMP environments and handling nucleic acid, vaccines, mAB and protein samples.
</li>
<li>Understand how metabolic analyses can impact CAR cell function and behavior, using cytolytic cell killing assays on the xCELLigence system to develop cell therapy processes and confirm product potency.
</li>
<li>Learn about new techniques in high-resolution LC/MS for analyzing tRNA modifications.
</li>
<li>Discover software tools available for high-resolution MS systems in both research and QA/QC labs.
</li>
<li>Compare analytical and semipreparative LC purification methods for synthetic oligonucleotides, gaining competitive insights into purification strategies.
</li>
</ul>
<h5>Talk 1: Agilent Tools and Technologies to Drive Advancements in Biopharmaceutical Drug Development</h5>
<ul>
<li>Presented by Dr. Hervé Chaulet, Molecular and Biological Research Market Specialist, Agilent Technologies</li>
</ul>
Discovering, developing, and manufacturing biopharmaceuticals requires you to stay abreast of advances in knowledge and improvements in technology while constantly navigating a maze of business and scientific challenges. Agilent can be a trusted partner providing expertise and end-to-end workflows including systems, software, consumables, and services for the spectrum of applications from drug discovery to quality control. Learn more about our cell analysis and genomics expertise and the tools we provide to drive IVT mRNA development, protein therapeutics, and cell and gene therapies.
<h5>Talk 2: Quality Control In IVT mRNA Therapeutics and Vaccine Development Workflow Using The Agilent Fragment Analyzer System</h5>
<ul>
<li>Presented by Dr. Leslie Friedmann, Product Manager, Agilent Technologies</li>
</ul>
Reliable and robust analysis is essential throughout in vitro transcription (IVT) mRNA workflows, providing important quality information to help minimize risk and aid in the production of a consistent product. The Agilent Fragment Analyzer systems can be used for several QC steps at different checkpoints in mRNA vaccine development, providing accurate and precise sizing and integrity analysis. These QC steps are to determine the quality and size of the linearized plasmid, the size and purity of the IVT mRNA, length of the poly(A) tail, and purity of the final mRNA vaccine product.
<h5>Talk 3: Analysis of NIST mAb Reference Material by Parallel SDS-Capillary Electrophoresis</h5>
<ul>
<li>Presented by Dr. Kyle Luttgeharm, Product Manager, Agilent Technologies</li>
</ul>
Monoclonal antibody drug products are complex biomolecules that must be tested for critical quality attributes (CQAs) such as monomeric purity and percent glycosylation. Capillary gel electrophoresis methods have been adopted as the standard method for size heterogeneity characterization, however legacy capillary electrophoresis (CE) methods involve complicated workflows or are cost prohibitive. To address these problems with legacy methods, Agilent has developed a 12-channel, parallel capillary electrophoresis-SDS (CE-SDS) instrument and reagents. The system uses a high-resolution sieving gel, allowing for resolution of mAb species including the non-glycosylated heavy chain and light chain. To demonstrate the capabilities of the ProteoAnalyzer, the NIST mAb was characterized under both reduced and non-reduced conditions and compared to the NIST data sheet.
<h5>Talk 4: Advanced Analytics for Cell Therapy Research, Process Development, and Manufacturing</h5>
<ul>
<li>Presented by Dr. Kelly Kroeger, Science &amp; Technology Advisor, Agilent Technologies</li>
</ul>
With immunology and immune-based therapies rising as a pillar of science and therapeutics, we are seeing a foundational shift from targeting specific proteins and pathways to actually targeting the immune cellular network that resolves and prevents disease. Therefore there is a critical need for cell analysis tools to facilitate understanding of the dynamic nature of the interaction of these cellular networks whether it is in the context of immune cells or immune cells with cancer cells.
To address these new challenges, we at Agilent Technologies have developed a portfolio of cell analysis solutions that provide researchers with more relevant tools to measure living cells, dynamically track them, and model their microenvironments. These next-generation therapies require methods and technologies to enable assessment of real-time cell function, phenotype, and fate. Used together, the Agilent tool bench provides the capability to measure and develop immune cell function more effectively, thus enabling translational researchers and developers to achieve the necessary level of potential therapeutic potency and safety.

Technology Networks: Biopharma Innovations Summit

Biopharma Innovations Summit Day 1

Learn more about our cell analysis and genomics expertise and the tools we provide to drive IVT mRNA development.

Join us for an exclusive two-day event where Agilent will showcase cutting-edge biopharma solutions.
The first day of the event we will explore Agilent’s comprehensive portfolio for the spectrum of applications from drug discovery to quality control. Learn more about our cell analysis and genomics expertise and the tools we provide to drive IVT mRNA development, protein therapeutics and cell and gene therapies
The second day will focus on advanced analytical solutions, including HRMS for tRNA sequencing and LC/MS for DNA/RNA analysis. Learn how to scale up oligonucleotide purification with Agilent biocolumns, which enhance the efficiency and accuracy of your processes.
By attending this event you will:
<ul>
<li>Gain insights from Agilent to optimize biotherapeutic workflows, including rigorous quality testing in cGMP environments and handling nucleic acid, vaccines, mAB and protein samples.
</li>
<li>Understand how metabolic analyses can impact CAR cell function and behavior, using cytolytic cell killing assays on the xCELLigence system to develop cell therapy processes and confirm product potency.
</li>
<li>Learn about new techniques in high-resolution LC/MS for analyzing tRNA modifications.
</li>
<li>Discover software tools available for high-resolution MS systems in both research and QA/QC labs.
</li>
<li>Compare analytical and semipreparative LC purification methods for synthetic oligonucleotides, gaining competitive insights into purification strategies.
</li>
</ul>
<h5>Talk 1: Advanced Analytical Solutions for Nucleic Acid Analysis and Purification</h5>
<ul>
<li>Presented by Dr. Charlotte Lekieffre, Biopharma Application Specialist, Agilent Technologies</li>
</ul>
The emphasis during the second day of the Summit will be on advanced analytical solutions, such as HRMS for tRNA sequencing and LC/MS for DNA/RNA analysis. Additionally, you’ll discover techniques to enhance the efficiency and accuracy of your processes by scaling up oligonucleotide purification using Agilent biocolumns. 
<h5>Talk 2: Extracted Yeast tRNA Sequencing by LC-MS/MS</h5>
<ul>
<li>Presented by Aurore Attina, Engineer of Mass Spectrometry, University of Montpellier</li>
</ul>
RNA modifications are essential for RNA stability, maturation, and functionality; directly influencing protein translation and gene regulation. They play a central role in various biological processes and are associated with many diseases, including cancers and neurological disorders. tRNA (transfer RNA), which plays a key role in protein synthesis, is the most modified molecule in the organism known to date. tRNA modifications are essential to ensure their correct function in protein translation, maintain the accuracy and fidelity of the genetic code, and enable flexible adaptation to changing cellular conditions and are therefore a crucial attribute to monitor. To monitor and map these modifications of tRNA, we have developed a LC-HRMS analytical workflow, first using synthetic oligonucleotide for the method optimization. In this webinar, we will first go through the various steps involved in LC-MS/MS method optimization using synthetic oligonucleotides. In a second part, we will present the protocol development of an enzymatic digestion applied to tRNA extracted from yeast. This digestion generates oligonucleotide fragments that can be analyzed by LC-MS/MS for sequence confirmation.
<h5>Talk 3: Discover Agilent’s Software Tools to Confirm Oligonucleotide Sequence Integrity</h5>
<ul>
<li>Presented by Dr. Holger Stalz, LC/MS Product Specialist Austria &amp; Switzerland, Agilent Technologies</li>
</ul>
Mass spectrometry (MS) is increasingly important for the development of therapeutic modalities such as oligonucleotides. A common analytical method for large molecules is intact mass by LC/MS. This can be used for the characterization and identification of a product or process-related impurities, or simply as a confirmation of molecular weight. The newly introduced Agilent OpenLab CDS 2.8 SW version comes with a set of features to enable the automatization of biopharma workflows. If you want to know how LC/MSD Spectral Deconvolution of your biopharma samples can be automated, we will provide answers during our presentation. Even more details on Oligonucleotide sequence confirmation and impurities characterization can be acquired using the power of a high-resolution accurate mass system (HRAM) on the Agilent 6545XT AdvanceBio LC/Q-TOF. Analyzing the sample data with the software workflows in Agilent BioConfirm version 12 will support the user to get the trusted answers to their most relevant questions.
<h5>Talk 4 Maximize Your Resources and Simplify Scale-up with AdvanceBio Oligonucleotide Columns</h5>
<ul>
<li>Presented by Dr. Andrea Tripodi, Application Development Engineer, Agilent Technologies</li>
</ul>
Several classes of nucleic acids, such as antisense oligonucleotides, small interfering RNAs (siRNAs), and aptamers are being investigated for potential therapeutic applications. Synthetic oligonucleotides inevitably contain many impurities due to limitations in the efficiency of each chemical reaction used during manufacture. They include deletion sequences (missing one or more nucleotides) and reaction by-products often arising during the final deprotection or cleavage steps. Ion pair reversed-phase (IP-RP) chromatography stands out as the prevalent method for analyzing and purifying oligonucleotides. For increased resolution and separation of your full-length synthetic oligonucleotide from closely related impurities, AdvanceBio Oligonucleotide is the ideal choice. The latest developments include semi-preparative, and lab-scale preparative columns packed with superficially porous particles that provide excellent performance and resolution without compromising column loading. A fast and easy scale-up method from analytical to semi-preparative scale was successfully achieved using a 10 mm ID column enabling higher sample loading using the same analytical LC instrument.

Biopharma Innovations Summit Day 2

Day one: Innovation and data insights<ul><li>Discover how to achieve high sensitivity, speed, and resilience when working with large, complex sample sets</li><li>Learn strategies to speed up your covalent protein drug discovery</li><li>Gain insights into accelerating the development of multiple modalities</li><li>Understand the latest advancements in quantitative proteomics with ZT Scan DIA</li><li>Overcome limitations with cutting-edge artificial intelligence quantitation software</li></ul>Agenda-at-a-glanceWelcome and introduction to innovation and data insights&nbsp;&nbsp;&nbsp;&nbsp;Advancing robustness and serviceability of a high-end triple quad mass spectrometer in a high-throughput bioanalytical lab<ul><li>Highly sensitive mass spectrometers allow the advanced bioanalytical labs of today to achieve the LOQ required of potent biologic drugs and provide maximum flexibility in choice of sample prep techniques. However robust mass spectrometers are crucial for several reasons:<ul><li>Aid in ensuring the consistent quantitative performance of an assay</li><li>Effectively allow a lab to meet their project timelines</li><li>Are essential for handling the inherent variability of analyzing diverse molecules and diverse samples required for bioanalysis</li></ul></li></ul>The new fast in drug discovery: a new MS system to study covalent protein drugs<ul><li>The combination of a super-fast sampling interface with the highly sensitive ZenoTOF 7600 system makes it an ideal system for evaluating covalent binding screens. Main findings in our experiments using the Echo® MS+ system:<ul><li>Speed: measurements from a full 384-well plate in 15 min or 1536-well plate in less than one hour</li><li>Precision: low injection volume supports repetitive measurements and time series; capture full kinetic data set in one experiment</li><li>Quality: high data quality allows for full automated processing, delivering immediate hitlist output</li></ul></li></ul>icIEF-UV/MS characterization of charge Isoforms for biotherapeutic products<ul><li>Characterization of icIEF charge isoforms, whether in early product development or associated with licensure filings, is usually achieved through ion exchange (IEX) liquid chromatography coupled with mass spectrometry. icIEF-MS technology has recently emerged to enable the direct characterization of specific species in the icIEF electropherogram, eliminating the need for extensive method development.<ul><li>Discover opportunities to advance core platform technologies with novel characterization approaches</li><li>Hear case studies on understanding molecular structure information</li><li>New approaches to characterizing post-translational modifications of charge isoforms</li></ul></li></ul>Expanding qualitative and quantitative sensitivity for immunopeptidomics using ZT Scan DIA<ul><li>Learn how utilizing a research-grade Zeno-trap time-of-flight LC-MS system can advance current applications in immunopeptidomics and proteomics, including:<ul><li>What is ZT Scan DIA, the technology and how it benefits data acquisition</li><li>Preliminary proteomics and immunopeptidomics results using ZT Scan DIA</li><li>Future applications of immunopeptidomics using ZT Scan DIA</li></ul></li></ul>Artificial intelligence quantitation (AI quant): molecular structure and mass spectral data quality driven processing of high-resolution mass spectrometry for quantitative analysi<ul><li>High-resolution mass spectrometry (HRMS) has long sought to be a viable alternative for quantitative workflows but has been unable to broadly compete, mainly due to the lack of suitable data processing software. In this work we describe:<ul><li>A molecular structure-dependent workflow</li><li>The holistic and user-independent processesing of HRMS data</li><li>The automatic quantification of small drug-like molecules</li></ul></li></ul>Q&amp;A roundtable: innovation and data insights with the experts<ul><li>Moderated by: Jamie Wighton, Senior Director LC-MS Research, SCIEX</li><li>Panelists include:<ul><li>Rathna Veeramachaneni, Director, Biopharma LC-MS/MS, KCAS Bio</li><li>Xiaping He, Senior Scientist, Pfizer</li><li>Markus Stöckli, Senior Principal Scientist, Novartis Institutes for BioMedical Research</li><li>Tony Purcell, Professor, Monash University&nbsp;</li><li>Kevin Bateman, Retired Pharmacokinetics, Pharmacodynamics and Drug Metabolism Expert</li></ul></li></ul><blockquote>Moderator: Jamie Wighton (Senior Director LC-MS Research, SCIEX)Jamie joined SCIEX 20 years ago and has held multiple technical and leadership roles throughout his career at SCIEX. &nbsp;Starting out as an engineer in manufacturing operations, Jamie has since led teams in supply chain, product development, and most recently the research and product applications teams within R&amp;D. Prior to joining SCIEX, Jamie worked at JDS Uniphase as an optical test engineer.Jamie holds a B.Sc. in engineering physics from Queen’s University.Presenter: Rathna Veeramachaneni (Director, Biopharma LC-MS/MS, KCAS Bioanalytical)Presenter: Markus Stöckli, Senior Principal Scientist, Novartis Institutes for BioMedical ResearchPresenter: Xiaoping He, Senior Scientst, PfizerPresenter: Tony Purcell, Professor, Monash UniversityPresenter: Kevin Bateman, Retired Pharmacokinetics, Pharmacodynamics and Drug Metabolism Expert</blockquote>

SCIEX summit Day one: Innovation and data insights

Importance of LC-MS in food and environmental testing, pharmaceutical and biopharmaceutical discovery and development and biomedical and omics research.

Day two: Characterization and discovery<ul><li>Characterize and quantify calreticulin (CALR) arginylation using electron-activated top-down proteomics</li><li>Achieve in-depth profiling of metabolites and lipids in biological samples</li><li>Obtain accurate and reliable metabolite identification using electron-based fragmentation (EAD)</li><li>Detect trace amounts of pesticide residues in food by targeted and non-targeted, IDA and SWATH approaches</li><li>Enhance routine characterization of low-abundant sequence variant (SV) through fast and sensitive EAD-DDA</li></ul><h5>Agenda-at-a-glance</h5>Welcome and introduction to characterization and discoveryTop-down characterization of post-translational arginylation using electron activated dissociation (EAD)<ul><li>Learn about our top-down proteomics workflow for the characterization and quantification of calreticulin (CALR) arginylation. MS1 profile and MS2 fragmentation were characterized by EAD. Preferential fragmentation at the CALR N-terminals yielded sufficient c ions facilitating precise localization of the arginylation sites. Learn about:<ul><li>Arginylation regulates CALR degradation and ER function</li><li>EAD is efficient in characterizing N-terminal arginylation</li><li>The workflow sets up the foundation for unbiased top-down activity-based arginylation profiling</li></ul></li></ul>In-depth metabolomics and lipidomics analyses<ul><li>Routine measurement of metabolites and lipids has become a cornerstone of biomedical research. At the MPC, Helmholtz Munich, non-targeted analysis is based on the SCIEX ZenoTOF 7600 for accurate and in-depth analysis and annotation of metabolites and lipids from different biological specimens.<ul><li>Application of Zeno trap enabled non-targeted workflows to large scale metabolomics and lipidomics studies</li><li>Enhanced sensitivity enables deeper profiling of biological samples</li><li>Increased confidence in identifications through comprehensive structural elucidation using Electron activated dissociation (EAD)</li></ul></li></ul>MetID innovations in pharma: exploring new avenues for metabolite structure elucidationTime-of-flight mass spectrometry applications in food science: targeted and non-targeted approaches<ul><li>Time-of-flight mass spectrometry has become a key tool in analytical laboratories involved in food analyses. This instrumentation can be used for both targeted and non-targeted approaches. In this presentation, we will discuss:<ul><li>Overview of practical targeted and non-targeted approaches in food analysis</li><li>Application of a SWATH® approach to the analysis of pesticide residues in food</li><li>Application of IDA approaches in non-targeted food analyses</li></ul></li></ul>Reduce risk and accelerate cell line development with iCIEF-UV/MS technology<ul><li>Guide decisions during cell line development with the Intabio ZT system with more information on how process changes affect cell line and product stability. &nbsp;<ul><li>How to utilize icIEF-UV/MS to identify sequence variants</li><li>How this information can be used to create a mitigation strategy</li><li>What more information in less time means to groups throughout process development</li></ul></li></ul>Q&amp;A roundtable: A deeper look at high-resolution mass spectrometry<ul><li>Moderated by: ose Castro-Perez, Vice President of Product Management, SCIEX</li><li>Panelists include:<ul><li>Tom Lin, Instructor, Washington University in St. Louis</li><li>Michael Witting, Deputy Head Metabolomics and Proteomics Core and Executive Manager Metabolomics, Helmholtz Munich</li><li>Francisco José Díaz-Galiano, Postdoctoral researcher, University of Almería</li><li>Kirsten Nields, Principal Scientist, J&amp;J Innovative Medicines</li><li>Tatjana Talamantes, Senior Product Manager, Accurate Mass, SCIEX</li></ul></li></ul><blockquote>Moderator: Tatjana Talamantes, Senior Product Manager, Accurate Mass, SCIEXTatjana is a Senior Product Manager at SCIEX, overseeing accurate mass systems since 2021. She collaborates with R&amp;D, sales, and marketing teams to ensure effective project execution and portfolio management.Previously, Tatjana was a Product Manager at MOBILion Systems, leading the pre-commercialization of SLIM-based ion mobility instruments. She also has held roles at Thermo Fisher Scientific as a Sr. Vertical Marketing Specialist and Sr. Field Applications Scientist.Tatjana holds a B.A. in chemistry from Austin College and a Ph.D. in biomedical sciences and biochemistry from the University of North Texas Health Science Center.Jamie holds a B.Sc. in engineering physics from Queen’s University.Presenter: Tom Lin, Instructor, Washington University in St. LouisPresenter: Michael Witting, Deputy Head Metabolomics and Proteomics Core and Executive Manager Metabolomics, Helmholtz MunichPresenter: Francisco José Díaz-Galiano, Postdoctoral researcher, University of AlmeríaPresenter: Kirsten Nields, Principal Scientist, J&amp;J Innovative MedicinesPresenter: Tatjana Talamantes, Senior Product Manager, Accurate Mass, SCIEX</blockquote>

SCIEX summit Day two: Characterization and discovery

CIEX summit Day two: Characterization and discovery

<h4>The Waters 2024 Virtual Summer School - An Educational Journey to Master Food &amp; Environmental Analysis</h4>Unlock the full potential of LC-MS techniques with our immersive and educational sessions at the Waters Virtual F&amp;E Late Summer School 2024. From September 24th to 26th, engage with leading experts and discover cutting-edge methods for environmental and food analysis.<h5>Why attend?</h5><ul><li>Comprehensive Learning: Dive deep into advanced LC-MS techniques and gain practical knowledge to enhance your laboratory's analytical capabilities.</li><li>Expert Insights: Learn from industry leaders and gain firsthand experience through detailed modules on chromatography, mass spectrometry, and sample preparation.</li><li>Regulatory Compliance: Stay ahead with the latest insights on EU regulations for PFAS analysis in food and water, ensuring your lab meets stringent standards.</li></ul><h3>Episode #3: Introduction Non-target Screening (NTS) | F&amp;E Summer School - Day 1 - Module 3</h3>Suspect and non-target screening (NTS) are crucial techniques used in various fields, including food analysis, environmental studies, toxicology, and doping analysis. In this overview, we’ll discuss a holistic approach and introduce high-resolution mass spectrometry methods for both Suspect and NTS screening. Topics covered include resolution, accurate mass data, and ion mobility.In an ideal scenario, Suspect screening and non-Target screening are closely interconnected. Prior knowledge about a potential analyte (Suspect) can expedite the non-Target screening process. We’ll briefly explore Suspect screening and how high-resolution mass spectrometry offers identification criteria for confidently identifying suspect compounds.Further, we examine the data gathered for non-target compounds through high-resolution mass spectrometry. In this module we give a concise introduction to the valuable data that can be compiled for assigning structures. In the forthcoming module 4b we will delve into how this data, in conjunction with the tools offered by the waters_connect software, can be conveniently accessed by the user and provide more comprehensive insights.<h5>What you'll learn:</h5><ul><li>What is Screening? (Target/ Suspect &amp; Non-Target Screening)</li><li>Basics of HRMS (Resolution and accurate mass)</li><li>Identification criteria for Targets /Suspects &amp; UNIFI Scientific Library</li><li>Tools for Non-Target Screening</li><li>Short introduction of exemplary instrument types</li><li>Xevo G3 QToF for Routine Screening</li><li>Xevo MRT for Screening with very high-resolution and very high mass accuracy</li><li>Select Series Cyclic IMS for Screening with ion-mobility utilizing CCS-values</li></ul><blockquote>Presenter:&nbsp;Christoph Thomas (Principal Sales Applications Chemist, Waters Corporation)Christoph Thomas is a Principal Sales Applications Chemist from the Central Europe Customer Success Team based in Eschborn, Germany. He has more than 25 years’ experience in the field of Chromatography and Mass Spectrometry and is familiar with several application areas using Quadrupole and Tof instruments. Within the last decade his projects were mainly focused on the waters_connect Screening Solution in food and environmental screening, toxicology screening, metabolite identification and in the field of extractables and leacheables.Presenter:&nbsp;Gunnar Weibchen (Principal MS Sales Dev Specialist, Waters Corporation)Gunnar studied Chemistry and obtained a PhD in Organic and Analytical Chemistry in Hamburg. After working as an Application Chemist in the demo laboratory at Varian, has been with Waters in Sales and Marketing since 2010</blockquote>

Waters Corporation: The Waters 2024 Virtual Summer School

Introduction Non-target Screening (NTS)

We’ll discuss a holistic approach and introduce high-resolution mass spectrometry methods for both Suspect and NTS screening.

<h4>The Waters 2024 Virtual Summer School - An Educational Journey to Master Food &amp; Environmental Analysis</h4>Unlock the full potential of LC-MS techniques with our immersive and educational sessions at the Waters Virtual F&amp;E Late Summer School 2024. From September 24th to 26th, engage with leading experts and discover cutting-edge methods for environmental and food analysis.<h5>Why attend?</h5><ul><li>Comprehensive Learning: Dive deep into advanced LC-MS techniques and gain practical knowledge to enhance your laboratory's analytical capabilities.</li><li>Expert Insights: Learn from industry leaders and gain firsthand experience through detailed modules on chromatography, mass spectrometry, and sample preparation.</li><li>Regulatory Compliance: Stay ahead with the latest insights on EU regulations for PFAS analysis in food and water, ensuring your lab meets stringent standards.</li></ul><h3>Episode #4: Chromatography - APGC | F&amp;E Summer School - Day 1 - Module 4</h3>Discover the advantages of GC coupled to MS under atmospheric pressure (Atmospheric Pressure GC/ APGC) as a powerful alternative to electron ionization (EI) for GC-MS. Gain a comprehensive understanding of the APGC technology and its operational principles. Explore why APGC offers higher sensitivity, selectivity, and robustness compared to traditional EI methods. Maximize versatility and efficiency by understanding how to achieve both LC and GC capabilities on the same MS system as well as using nitrogen as an alternative carrier gas.<h5>What you'll learn:</h5><ul><li>How APGC works</li><li>Enhanced performance over classic EI-GC</li><li>Ease of use and implementation in the lab</li><li>Usage of nitrogen as GC carrier gas</li></ul><blockquote>Presenter:&nbsp;Frank L. Dorman, PhD, FRSC (Principal Environmental Market Manager, Waters Corporation)Frank Dorman is currently Senior Business Development Manager for Waters focusing on their global environmental business and, concurrently, Associate Professor (adjunct) in the Department of Biochemistry and Molecular Biology (BMB) at Penn State University in University Park, PA. In his role at Waters, Frank manages the research-focused environmental market, external collaborations and also interfaces with R&amp;D for new product development. Prior to Waters, Frank was employed full-time as a tenure-line Faculty member of Penn State and served as a member of the Graduate Faculty in: Biochemistry, Microbiology and Molecular Biology (BMMB), Chemistry (CHEM) and the Programs in Forensics Science (FRNSC), and Biogeochemistry (BGC). Frank is also a member of the Center for Molecular Toxicology and Carcinogenesis at Penn State. Frank’s scientific interests are in gas and liquid chromatography fundamental characterization, instrumentation and column development, as well and mass spectrometry and atomic spectroscopy as applied to trace analysis in complex sample matrices. This work is directed towards environmental forensics, traditional forensic chemistry and where environmental exposure events may contribute to human disease; an area sometimes referred to as “exposomics”.Prior to joining the faculty at PSU, Frank was at Restek Corporation for 14 years as the Director of Technical Development, and R&amp;D Senior Chemist. During most of this same time, Frank was also an Adjunct Research Professor at Juniata College where he maintained an active undergraduate research program. Prior to that he was at Inchcape Testing Services for 5 years as a Senior Chemist, Organics Section Manager for Sample Preparation and Corporate Methods Development Chemist. As such, Frank has extensive experience in both the Industrial and Academic sectors giving him a relatively rare combination of skills and experience.Presenter:&nbsp;Janitha De-Alwis (Senior Applications Chemist, European Applications Team, Food and Environmental, Waters Corporation)JD has worked in the chromatography industry for over 10 years and has recently joined Waters Corporation as a senior applications chemist. Prior to joining Waters, JD managed a group at a leading food research and contract organisation. Here, JD helped the food, drink and associated industriesproactivelyand reactively in the area of chemical toxins.As a senior applications chemist, JD now develops new applications with Waters technologies and helps customers with their critical analytical challenges.</blockquote>

Chromatography - APGC

Discover the advantages of GC coupled to MS under atmospheric pressure (APGC) as a powerful alternative to electron ionization (EI) for GC-MS.

<h4>The Waters 2024 Virtual Summer School - An Educational Journey to Master Food &amp; Environmental Analysis</h4>Unlock the full potential of LC-MS techniques with our immersive and educational sessions at the Waters Virtual F&amp;E Late Summer School 2024. From September 24th to 26th, engage with leading experts and discover cutting-edge methods for environmental and food analysis.<h5>Why attend?</h5><ul><li>Comprehensive Learning: Dive deep into advanced LC-MS techniques and gain practical knowledge to enhance your laboratory's analytical capabilities.</li><li>Expert Insights: Learn from industry leaders and gain firsthand experience through detailed modules on chromatography, mass spectrometry, and sample preparation.</li><li>Regulatory Compliance: Stay ahead with the latest insights on EU regulations for PFAS analysis in food and water, ensuring your lab meets stringent standards.</li></ul><h3>Episode #7: Quantification for Targeted Analysis | F&amp;E Summer School - Day 2 - Module 3</h3>MS Quan is an application in the waters_connect™ for Quantitation software platform that is designed to streamline the LC-MS/MS data processing and review with innovative workflows, data visualization and data navigation. The MS Quan application’s main workflows and overarching features such as task-oriented workflow, batch-level review, and exception-focused review are introduced and illustrated with a PFAS analysis dataset.<h5>What you'll learn:</h5><ul><li>How to create processing method</li><li>Data review with exception focus review</li><li>Compare data and evaluate peak integration</li><li>Export and report of final results</li></ul><blockquote>Presenter:&nbsp;Helge Grunwald (Sr Sales Applications Chemist, Waters Corporation)Helge is part of the Customer Success team at Waters with a focus on LC-MS/MS application and sales support. He works in this role for more than 4 years and gained experience in previous roles as project manager at Intertek and method developer at Basilea Pharmaceutica after he finished his Master of Science in Life Science at FH Nordwestschweiz.</blockquote>

Quantification for Targeted Analysis

The MS Quan application’s main workflows and overarching features are introduced and illustrated with a PFAS analysis dataset. 

<h4>The Waters 2024 Virtual Summer School - An Educational Journey to Master Food &amp; Environmental Analysis</h4>Unlock the full potential of LC-MS techniques with our immersive and educational sessions at the Waters Virtual F&amp;E Late Summer School 2024. From September 24th to 26th, engage with leading experts and discover cutting-edge methods for environmental and food analysis.<h5>Why attend?</h5><ul><li>Comprehensive Learning: Dive deep into advanced LC-MS techniques and gain practical knowledge to enhance your laboratory's analytical capabilities.</li><li>Expert Insights: Learn from industry leaders and gain firsthand experience through detailed modules on chromatography, mass spectrometry, and sample preparation.</li><li>Regulatory Compliance: Stay ahead with the latest insights on EU regulations for PFAS analysis in food and water, ensuring your lab meets stringent standards.</li></ul><h3>Episode #8: Instruments &amp; Software for Non-Target Screening | F&amp;E Summer School - Day 2 - Module 4</h3>This session will focus on presenting in detail the data evaluation of HRMS-Screening experiments. Firstly, we will explain the data-independent acquisition modes MSE and HDMSE. We will describe an intelligent and efficient peak detection algorithm of the HRMS data. The waters_connect software supports us with several tools for the challenging non-Target screening. We will present a selection of discovery tools which collect additional information about the unknown masses to reduce the number of potential candidates. This includes a binary comparison to find differences between samples or the get information on common fragments etc. In addition, multivariate statistics can also be used as a powerful tool for identifying significant non-Target masses. Finally, the determination of the molecular formula of potential candidates and a possible search in online libraries will be presented.<h5>What you'll learn:</h5><ul><li>Data acquisition in depth (MSE, CCS)</li><li>waters_connect Software &amp; Intelligent Peak Detection</li><li>UNIFI App and Workflow</li><li>Binary Compare - find the Differences</li><li>Discovery Tools – Common Fragments, Mass defect filtering, Halogen Match and more</li><li>Multivariate statistics</li><li>Pattern Targeting Application</li></ul><blockquote>Presenter:&nbsp;Christoph Thomas (Principal Sales Applications Chemist, Waters Corporation)Christoph Thomas is a Principal Sales Applications Chemist from the Central Europe Customer Success Team based in Eschborn, Germany. He has more than 25 years’ experience in the field of Chromatography and Mass Spectrometry and is familiar with several application areas using Quadrupole and Tof instruments. Within the last decade his projects were mainly focused on the waters_connect Screening Solution in food and environmental screening, toxicology screening, metabolite identification and in the field of extractables and leacheables.Presenter:&nbsp;Gunnar Weibchen (Principal MS Sales Dev Specialist, Waters Corporation)Gunnar studied Chemistry and obtained a PhD in Organic and Analytical Chemistry in Hamburg. After working as an Application Chemist in the demo laboratory at Varian, has been with Waters in Sales and Marketing since 2010</blockquote>

Software and Instruments for NTS

This session will focus on presenting in detail the data evaluation of HRMS-Screening experiments. 

<h4>The Waters 2024 Virtual Summer School - An Educational Journey to Master Food &amp; Environmental Analysis</h4>Unlock the full potential of LC-MS techniques with our immersive and educational sessions at the Waters Virtual F&amp;E Late Summer School 2024. From September 24th to 26th, engage with leading experts and discover cutting-edge methods for environmental and food analysis.<h5>Why attend?</h5><ul><li>Comprehensive Learning: Dive deep into advanced LC-MS techniques and gain practical knowledge to enhance your laboratory's analytical capabilities.</li><li>Expert Insights: Learn from industry leaders and gain firsthand experience through detailed modules on chromatography, mass spectrometry, and sample preparation.</li><li>Regulatory Compliance: Stay ahead with the latest insights on EU regulations for PFAS analysis in food and water, ensuring your lab meets stringent standards.</li></ul><h3>Episode #9: PFAS in Food | F&amp;E Summer School - Day 3 - Module 1</h3>The European Commision published for the first time maximum levels for the so-called “EU 4” PFAS (PFHxS, PFOS, PFOA and PFNA) in eggs, meat and fish with Regulation EU 2023/915. This was an expected result of EFSA’s letter of concern on those 4 PFAS and labs reacted accordingly. A more challenging task came with the EURL PFAS Guidance Document and a bit later with the Recommendation EU 2022/1431. The target LOQs for the EU 4 PFAS were set at 0.001 µg/kg in fruits, vegetables and babyfood. We will discuss the successful method implementation from sample preparation to final report and hear real-life experiences from our guest speaker Victoria Erdely (Eurofins GfA) and Katharina Rund (EURL PFAS).<h5>What you'll learn:</h5><ul><li>How to reach lowest levels of PFAS in food and work according to Recommendation EU 2022/1431 using Xevo TQ Absolute in combination with UniSpray ion source</li><li>How LC method development on Premier LC gives you the widest PFAS panel and separates interferences.</li><li>Tips &amp; tricks from the demo lab to avoid PFAS contamination, implement new analytes, speed up data processing, and keep best performance of your system</li><li>About a special PFAS training to help you implement the method in the lab.</li></ul><blockquote>Presenter:&nbsp;Dr. Sara Stead (Consulting Scientist, Food and Environmental, Scientific Operations, Waters Corporation)In her current position, Sara is a Principal Sales Application Chemist specializing in food and environmental LC-MS/MS based applications within the Waters UK and Ireland demo laboratory. Sara has worked in F&amp;E analysis with various research interests including the development of both multi-residue HRMS screening and targeted LC/GC MS based methods for the past 25 years in both the government and private sectors. ​Prior to joining Waters Sara was employed as a Lead Scientist at the Food and Environment Research Agency (FERA, Defra, UK) for 14 years. Sara has participated in EU Food and Veterinary Office (FVO) audit inspections, was an expert on behalf of the International Atomic Energy Agency (IAEA) and a member of the EuroResidue conference scientific committee.Presenter:&nbsp;Dr. Stuart Adams (Principal Scientist, Market Development, Food and Environmental Applications, Europe, Waters Corporation)Stuart has been developing methods for the determination of contaminants in food and the environment for over 17 years and has been with Waters Corporation since 2018. Stuart's previous role was as a senior analytical chemist at Fera (the UK’s National Reference Laboratory) and moved to Waters to focus on application development in the European region. He now serves as the attached scientist to the European Market Development team responsible for the food and environmental application areas. In his role, he works with customers to understand their analytical challenges and helps address them with Waters technologies.Presenter:&nbsp;Victoria Erdely (Head of Department - Method and Instrument Support, Eurofins GfA)Presenter:&nbsp;Dr. Katharina Rund (Food Chemist, EU Reference Laboratory for halogenated POPs in Feed and Food)</blockquote>

PFAS in Food

We will discuss the successful method implementation from sample preparation to final report and hear real-life experiences.

<h4>The Waters 2024 Virtual Summer School - An Educational Journey to Master Food &amp; Environmental Analysis</h4>Unlock the full potential of LC-MS techniques with our immersive and educational sessions at the Waters Virtual F&amp;E Late Summer School 2024. From September 24th to 26th, engage with leading experts and discover cutting-edge methods for environmental and food analysis.<h5>Why attend?</h5><ul><li>Comprehensive Learning: Dive deep into advanced LC-MS techniques and gain practical knowledge to enhance your laboratory's analytical capabilities.</li><li>Expert Insights: Learn from industry leaders and gain firsthand experience through detailed modules on chromatography, mass spectrometry, and sample preparation.</li><li>Regulatory Compliance: Stay ahead with the latest insights on EU regulations for PFAS analysis in food and water, ensuring your lab meets stringent standards.</li></ul><h3>Episode #10: PFAS Analysis in Drinking, Ground, and Surface Water | F&amp;E Summer School - Day 3 - Module 2</h3>Analysis of PFAS is an essential part of water testing programs and becoming a regular requirement for monitoring in environment and food sources. As regulations, like the EU Drinking Water Directive, the EU Groundwater Directive, and the EU Water Framework Directive, have been updated or are in the process for an update, the requirements for method sensitivity have become more demanding. Whilst concentration levels go down, direct injection methods are increasingly desirable to laboratories carrying out routine analysis of PFAS where analyte preconcentration is not deemed necessary or required. They have a simple sample preparation method, which not only reduces the opportunity for contamination and error but speeds up analysis time and the requirements for large volumes of samples. This can provide labs with a higher throughput of samples and lower analysis costs.Dorrit Griesshaber from the Office for Environment and Energy in Basel (SZ) and Jenny Davies from Element Materials Technology in Flinshire (UK) will give insights how the analysis of PFAS in environmental samples works in routine testing labs.<h5>What you'll learn:</h5><ul><li>How to reach lowest levels of PFAS and work according to EU regulation using Xevo TQ Absolute in combination with UniSpray ion source,</li><li>LC method development on Premier LC and system modification for direct injection with large volume,</li><li>Tips &amp; tricks from the demo lab to avoid PFAS contamination, implement new analytes, speed up data processing, and keep best performance and</li><li>A special PFAS training to help you implement the method in the lab.</li></ul><blockquote>Presenter:&nbsp;Dr. Sara Stead (Consulting Scientist, Food and Environmental, Scientific Operations, Waters Corporation)Presenter:&nbsp;Aron Dekkers (Sales Application Chemist, Waters Corporation)Aron is part of the Customer Success team at Waters BeNeLux with a focus on Food &amp; Environmental LC-MS/MS applications and sales support. His special interest areas are PFAs and pesticides. He works in this role for more than 4 years. Aron finished his B.S. in Chemistry at Fontys Eindhoven (NL).Presenter:&nbsp;Dorrit Griesshaber (Amt für Umwelt und Energy (AUE))Presenter:&nbsp;Jenny Davies (Technical Director, Element Materials Technology)</blockquote>

PFAS Analysis in Drinking, Ground, and Surface Water

We will give insights how the analysis of PFAS in environmental samples works in routine testing labs. 

LCMS webinars focusing on LC/MS/MS - page 33