🎤Dan Reddy (PhD candidate in the Department of Chemistry at Queen's University and a recipient of the NSERC Vanier Canada Graduate Scholarship. He was recently named one of the top 35 early-career scientists globally in the 2025 CAS Future Leaders program.)In this episode, we interview Daniel Reddy, 2025 CAS Future Leader and PhD candidate at Queen's University, about his groundbreaking research on automated mass spectrometry and dried matrix spots (DMS).Dan's work combines computer vision, 3D printer automation, and laser micromachining to revolutionize sample preparation—reducing CO₂ emissions by 28-fold and organic solvent use by 21-fold compared to traditional methods.<h4>What You'll Learn:</h4><ul><li>How to give a mass spectrometer "sight" and "taste" using computer vision and the LMJ-SSP (Liquid Microjunction Surface Sampling Probe)</li><li>The breakthrough technology behind Surface Energy Traps (SETs) for confining liquid droplets on paper substrates</li><li>Why dried matrix spots eliminate the need for cold-chain shipping and enable analysis of blood, urine, and saliva samples via standard mail</li><li>How DIY chemists are hacking 3D printers to build cost-effective autosamplers (replacing $10K+ systems)</li><li>The role of green chemistry and systems thinking in modernizing analytical methods</li><li>Why interdisciplinary collaboration (chemistry + computer science) is critical to innovation</li></ul><h4>Key Topics:</h4><ul><li>Dried Matrix Spots (DMS) for automated sample prep</li><li>Laser-micromachined Surface Energy Traps</li><li>Direct surface sampling mass spectrometry</li><li>Sustainability in analytical chemistry</li><li>3D printer customization for laboratory automation</li><li>The importance of science communication and community outreach</li></ul><h3>Video Transcription</h3><h4>Introduction</h4>Recent advances in analytical chemistry increasingly focus on simplifying workflows, improving sustainability, and enabling automation. In this context, the work of Dan Reddy centers on the concept of “bringing mass spectrometry to life” through the integration of automated sampling, computer vision, and dried matrix spot (DMS) methodologies.The primary objective is to enable efficient and reproducible analysis of biological and liquid samples—such as blood, urine, saliva, or other solutions—by depositing them onto substrates, drying them, and extracting meaningful analytical information directly via mass spectrometry.<h4>Conceptual Framework: Enabling “Sight” and “Taste” in Mass Spectrometry</h4>A central innovation in this work is the conceptual transformation of mass spectrometry from a passive analytical tool into an active, semi-autonomous system.<ul><li>“Sight” is introduced through camera-based computer vision, allowing the system to identify predefined patterns on a substrate.</li><li>“Taste” is implemented via a liquid microjunction surface sampling probe (LMJSSP), which enables direct extraction of analytes from surfaces.</li></ul>The LMJSSP consists of two concentric capillaries forming a continuously flowing microdroplet. When brought into contact with the sample surface, this droplet facilitates localized extraction, effectively enabling direct surface analysis without traditional chromatographic separation.Combined with an automated positioning system (adapted from 3D printer mechanics), the platform can autonomously locate sampling sites and perform reproducible measurements.<h4>Dried Matrix Spots as an Analytical Platform</h4><h5>Principle and Advantages</h5>Dried matrix spots involve depositing a small volume of liquid sample onto a substrate (commonly paper), followed by drying. This approach offers several advantages:<ul><li>Reduced need for cold-chain transport</li><li>Simplified sample handling and storage</li><li>Compatibility with remote or decentralized sampling</li><li>Lower solvent consumption</li></ul>These features contribute significantly to greener analytical workflows and improved logistical efficiency.<h5>Sustainability Impact</h5>The implementation of DMS-based workflows has demonstrated:<ul><li>Up to 28-fold reduction in CO₂ emissions</li><li>Up to 21-fold reduction in organic solvent use</li></ul>These improvements arise from eliminating cold-chain logistics and minimizing solvent-intensive preparation steps.<h4>Surface Energy Traps (SCTs): Controlled Micro-Sampling Environments</h4><h5>Definition and Fabrication</h5>Surface Energy Traps (SCTs) are microstructured regions on a substrate designed to confine liquid droplets within defined boundaries.The fabrication process involves:<ol><li>Coating paper with a hydrophobic layer</li><li>Using laser ablation to selectively remove the coating in defined patterns</li><li>Creating hydrophilic circular regions (typically ~0.5 mm diameter)</li></ol>These patterned regions act as micro-wells that confine droplets spatially and prevent lateral diffusion.<h5>Analytical Benefits</h5>SCTs address key limitations of traditional dried matrix spots:<ul><li>Improved spatial confinement of analytes</li><li>Reduced diffusion variability</li><li>Enhanced reproducibility</li><li>Preconcentration effects due to controlled drying</li></ul>Additionally, the SCT diameter is smaller than the sampling probe, enabling near-complete analyte collection during surface extraction.<h4>Drying Dynamics and Analyte Distribution</h4>Traditional dried matrix spots often suffer from the “coffee-ring effect”, where analytes redistribute unevenly during drying. This leads to variability depending on sampling location.The SCT approach mitigates these effects by:<ul><li>Limiting diffusion area</li><li>Maintaining analytes near the surface</li><li>Producing more uniform analyte distribution</li></ul>Preliminary investigations (e.g., via SEM imaging) indicate improved homogeneity, although further studies are needed to fully characterize drying kinetics and their influence on signal intensity.<h4>Integration with Automated Sampling Systems</h4><h5>3D Printer-Based Positioning</h5>A key engineering innovation is the repurposing of 3D printer hardware for automated sample positioning:<ul><li>Provides cost-effective XYZ motion control</li><li>Enables programmable sampling routines</li><li>Supports integration with analytical instrumentation</li></ul>Custom software—developed in collaboration with computer engineers—allows users to define coordinates, dwell times, and sampling parameters.<h5>Computer Vision Integration</h5>The addition of computer vision enables:<ul><li>Pattern recognition (e.g., alignment markers near SCTs)</li><li>Autonomous targeting of sampling locations</li><li>Reduced operator intervention</li></ul>This transforms the system into a semi-autonomous analytical platform.<h4>Comparison with Conventional Workflows</h4>Compared to traditional LC-MS or GC-MS workflows, the presented approach offers:<div><div><figure class="table"><table><thead><tr><th>Aspect</th><th>Conventional Methods</th><th>SCT + LMJSSP Approach</th></tr></thead><tbody><tr><td>Sample prep</td><td>Multi-step, solvent-intensive</td><td>Minimal, direct surface sampling</td></tr><tr><td>Chromatography</td><td>Required</td><td>Potentially bypassed</td></tr><tr><td>Throughput</td><td>Moderate</td><td>High (automated)</td></tr><tr><td>Sustainability</td><td>Limited</td><td>Significantly improved</td></tr></tbody></table></figure></div></div>While chromatographic methods remain essential for many applications, this approach provides a complementary pathway for rapid screening and targeted analyses.<h4>Green Chemistry and Systems Thinking</h4>A notable aspect of this work is the integration of systems thinking into analytical chemistry. Inspired by engagement with organizations such as the American Chemical Society and green chemistry initiatives, the research emphasizes:<ul><li>Environmental impact reduction</li><li>Resource efficiency</li><li>Lifecycle considerations</li></ul>This perspective expands the role of analytical chemists beyond method performance to broader societal and environmental implications.<h4>Future Outlook and Applications</h4>The research is currently at an early stage but shows strong potential for:<ul><li>Decentralized diagnostics (e.g., remote blood sampling)</li><li>Environmental monitoring</li><li>High-throughput screening workflows</li><li>Field-deployable analytical systems</li></ul>Further advancements are expected in:<ul><li>Substrate engineering</li><li>Automation robustness</li><li>Integration with advanced MS platforms (e.g., triple quadrupole systems)</li></ul><h4>Conclusion</h4>The integration of dried matrix spots, surface energy traps, and automated surface sampling represents a significant step toward more sustainable, efficient, and accessible analytical workflows.By combining innovations in microfabrication, computer vision, and mass spectrometry, the work of Dan Reddy demonstrates how analytical chemistry can evolve toward smarter, greener, and more autonomous systems.<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>

Mass Spectrometry, Surface Sampling and Dried Matrix Spots - Greener Chemistry and 3D Printing

This study presents a novel MS/MS filtering tree approach for distinguishing regio- and stereoisomeric bile acids in untargeted LC-MS/MS data. By leveraging intensity ratios of closely related fragment ions, the method overcomes limitations of traditional spectral matching, enabling more accurate isomer annotation.A user-friendly web-based application was developed to facilitate implementation without coding expertise. Applied to public datasets, the workflow revealed diet-associated bile acid patterns across mammalian species and enabled identification of previously uncharacterized compounds, demonstrating its potential for large-scale metabolomics studies.<blockquote><h4>The original article</h4><h4><a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.5c05677">MS/MS Mass Spectrometry Filtering Tree for Bile Acid Regio- and Stereoisomer Annotation</a></h4>Ipsita Mohanty, Shipei Xing, Vanessa Castillo, Julius Agongo, Abubaker Patan, Yasin El Abiead, Helena Mannochio-Russo, Wilhan D. Gonçalves Nunes, Jasmine Zemlin, Itzhak Mizrahi, Dionicio Siegel, Mingxun Wang, Lee R. Hagey, and Pieter C. Dorrestein*Anal. Chem. 2026, 98, 6, 4571–4584<a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1021/acs.analchem.5c05677">https://doi.org/10.1021/acs.analchem.5c05677</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.<div>Cholesterol-derived steroid molecules, known as bile acids, have been detected in nearly every organ where they have been studied. <a href="javascript:void(0);">(1)</a> Alterations in bile acid composition and dysbiosis have been linked to various health conditions, including neurocognitive developmental disorders, cancer, infections, and metabolic diseases such as diabetes and inflammatory bowel disease (IBD). <a href="javascript:void(0);">(2−8)</a> In the last 5 years, the number of detected bile acids in metabolomics experiments <a href="javascript:void(0);">(1,9−15)</a> has increased by the 1000s and possibly approaching 10,000s - most of which have not yet been fully structurally characterized. <a href="javascript:void(0);">(1,6,16−19)</a> We believe this is only the tip of the iceberg and that in the next 5 years this number will continue to increase. The scale of the bile acid pool and the challenge of accurately detecting and describing their structure truly represent an exciting frontier for analytical and computational scientists who continue to push the boundaries of what is possible.In humans, bile acids are predominantly derived from cholesterol through pathways that exist not only in the liver as previously thought but also in many other organs including kidneys and brain. <a href="javascript:void(0);">(16,20,21)</a> These pathways shorten the side chain, producing a carboxyl terminus on the remaining 24-carbon steroid structure, which consists of four interconnected rings and side chain, collectively referred to here as the “core” (colored in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.5c05677#fig1">Figure 1</a>a). The core of bile acids undergoes multiple hydroxylations, a process typically associated with the liver but also occurring in other organs such as the brain, kidney, and spleen. <a href="javascript:void(0);">(16)</a> Considering hydroxylation at known carbon positions on bile acids reported from human samples (as starred in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.5c05677#fig1">Figure 1</a>a, <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.analchem.5c05677/suppl_file/ac5c05677_si_002.xlsx">Supplementary Table S1</a>) along with stereoisomers and allo versus nonallo A/B ring isomerization at C5, approximately 1,800 candidate mono-, di-, and trihydroxy C24 bile acid cores are theoretically possible (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.5c05677#fig1">Figure 1</a>a). This number further expands exponentially in the gut.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Anal_Chem_2026_98_6_4571_4584_Figure_1_MS_MS_fragmentation_of_bile_acid_isomers_9bfcc8779d.jpg" alt="Anal. Chem. 2026, 98, 6, 4571–4584: Figure 1. MS/MS fragmentation of bile acid isomers. (a) Structure of bile acids highlighting mono-, di-, and trihydroxylated steroid cores, with experimentally observed potential hydroxylation sites on the steroid core indicated by red stars. (b) MS/MS fragmentation spectra of the regioisomers, taurochenodeoxycholic (TCDCA) acid and taurodeoxycholic acid (TDCA), illustrating a low-intensity mass region containing ions unique to each isomer. (c) Enlarged view of the MS/MS fragmentation spectra for taurochenodeoxycholic and taurodeoxycholic acids, emphasizing the ion pair used to calculate relative intensity ratios for differentiating these isomers." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Anal_Chem_2026_98_6_4571_4584_Figure_1_MS_MS_fragmentation_of_bile_acid_isomers_9bfcc8779d.jpg 245w," sizes="100vw" width="2100" height="890">Recently, we developed MS/MS fragmentation-based filters using a Mass Spectrometry Query Language (MassQL), a query language that allows filtering of data patterns <a href="javascript:void(0);">(49)</a> to retrieve all MS/MS spectra from the Orbitrap data sets in GNPS/MassIVE repository containing bile acid-specific fragment ions. After merging similar spectra, this resulted in a reference library of 21,549 MS/MS spectra. <a href="javascript:void(0);">(1)</a> This library includes MS/MS spectra of known and many yet-to-be structurally characterized bile acid candidates that have already been detected from public metabolomics data repositories. This also includes MS/MS of multiple ion forms such as different adducts, in-source fragments, and multimers, <a href="javascript:void(0);">(1)</a> which all help in the annotation of bile acids. This MassQL library enables the annotation of the number of hydroxyl groups on the bile acid core, as well as the identification of potential modifications, and ∼ 62% of the atomic compositions are annotated. Other spectral “modifications” that do not have a distinct atomic composition may be different adducts or multiple combinations of adducts, in source fragments, and multimers. However, the diagnostic bile acid MS/MS fragments used to build this reference library do not allow for the differentiation between regio- and stereoisomers. Also, MS/MS spectral matching with the candidate library using the cosine metric often overlooks finer details within fragment ions, as minor peak intensity changes or low-intensity fragment ions have a minimal influence on overall spectral match scores (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.5c05677#fig1">Figure 1</a>b).Based on our manual inspection of hundreds of bile acid MS/MS spectra, we observed and hypothesized that information in the low-intensity MS/MS fragments, including specific ion pairs, their intensity ratios, and unique ions, could be used to distinguish the steroid core isomers. As proof of concept in leveraging MS/MS data to enable further refinement of the stereo and regiochemistry of the hydroxylations of the bile acids cores, we developed a MassQL-based filtering tree utilizing key marker ions and their intensity ratios within narrow m/z windows to propose regio- and stereoisomer assignments of bile acids solely from MS/MS data. In this study, we focus on bile acid amidates, a class of structures found in humans and other animals.<h4>Experimental Section</h4><h5>MS/MS Data Acquisition of Taurine-Conjugated Bile Acids</h5>We generated one mM stock solutions of our in-house collection of 48 taurine-conjugated bile acids in 100% MeOH. The standards used in this study were obtained from the bile acid collection of the late Dr. Alan Hofmann’s laboratory at UCSD. The Dorrestein laboratory inherited these standards after his demise. The standard samples were injected (5 μL) into a Vanquish ultrahigh-performance liquid chromatography (UHPLC) system coupled to a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/559">Q-Exactive quadrupole Orbitrap mass spectrometer</a> (Thermo Fisher Scientific, Waltham, MA). A <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1509">Kinetex polar C18 column</a> (2.1 × 100 mm, 2.6 μm particle size, 100 A pore size; Phenomenex, Torrance) was employed with a SecurityGuard C18 column (2.1 mm ID) at 40 °C column temperature. The mobile phases (0.5 mL/min) were 0.1% formic acid in both water (A) and ACN (B) with the following gradient: 0–0.5 min 5%B, 0.5–1.1 min 5–25%B, 1.1–7.5 min 25–40%B, 7.5–8.5 min 40–99%B, 8.5–10 min 99%B, 10–12 min 5%B. The mass spectrometer was operated in positive heated electrospray ionization with the following parameters: sheath gas flow, 53 AU; auxiliary gas flow, 14 AU; sweep gas flow, 3 AU; auxiliary gas temperature, 400 °C; spray voltage, 3.5 kV; inlet capillary temperature, 269 °C; S-lens level, 50 V. MS1 scan was performed at m/z 150–1500 with the following parameters: resolution, 35,000 at m/z 200; maximum ion injection time, 100 ms; automatic gain control (AGC) target, 1E6. Up to 5 MS/MS spectra per MS1 scan were recorded under the data-dependent mode (dd-MS2) with the following parameters: resolution, 17,500 at m/z 200; maximum ion injection time, 150 ms; AGC target, 5.0E5; MS/MS precursor isolation window, m/z 1; isolation offset, m/z 0.5; normalized collision energy (NCE) of 45%; minimum AGC for MS/MS spectrum, 2.5E4; apex trigger, 2 to 5 s; dynamic precursor exclusion, 8 s. Fragmentation was performed in the HCD cell using nitrogen as the collision gas. The data was deposited in GNPS/MassIVE and is publicly available at MSV000092003. The MS/MS spectra are also added now to the GNPS spectral library - BILELIB19 (<a target="_blank" rel="noopener noreferrer" href="https://gnps.ucsd.edu/ProteoSAFe/gnpslibrary.jsp?library=BILELIB19">https://gnps.ucsd.edu/ProteoSAFe/gnpslibrary.jsp?library=BILELIB19</a>)<h4>Results and Discussion</h4><h5>Retrospective Bile Acid Isomer Profiling in a Public Data Set of Animals with Different Diets</h5>To illustrate the utility of the MassQL multistep filtering trees in retrospectively analyzing data in public repositories, we selected a publicly available data set containing feces from 40 animals (13 mammalian species) from the Zoological Center Tel Aviv-Ramat Gan, Israel. <a href="javascript:void(0);">(62)</a> The data set consisted of 3 herbivores, 23 omnivores, and 13 carnivores (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.5c05677#fig4">Figure 4</a>a). We selected this data set as we had previously confirmed detection of 6 previously uncharacterized polyamine-conjugated bile acids that we could not confirm with retention times as none of the standards we had synthesized matched, although their MS/MS did. We showed that their levels were higher in carnivores compared to herbivores and omnivores; <a href="javascript:void(0);">(1)</a> however, we were still unable to resolve the regio- and stereochemistry of all possible isomers of polyamine-conjugated bile acids. To further dive into the diversity of bile acids, we matched the MS/MS spectra of this study against the GNPS spectral libraries, including the candidate bile acid MS/MS reference library that we had previously created from the repository scale analysis. <a href="javascript:void(0);">(1)</a> This revealed 993 MS/MS spectral matches to bile acids. We next applied the multistep MassQL queries to resolve the regio- and stereochemistry of the bile acids. The steps described in this section follow the same filtering approach as outlined for the dihydroxy bile acid filtering tree (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.5c05677#fig2">Figure 2</a>).&nbsp;<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Anal_Chem_2026_98_6_4571_4584_Figure_2_Development_of_MSMS_fragmentation_based_Mass_QL_filtering_tree_2227b688a9.jpg" alt="Anal. Chem. 2026, 98, 6, 4571–4584: Figure 2. Development of MS/MS fragmentation-based MassQL filtering tree. Sequential MS/MS fragmentation-based filtering tree designed to classify regio- and stereoisomers of dihydroxylated bile acids. Structures at each filtering step are shown, with terminal bins color-coded for clarity." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Anal_Chem_2026_98_6_4571_4584_Figure_2_Development_of_MSMS_fragmentation_based_Mass_QL_filtering_tree_2227b688a9.jpg 183w," sizes="100vw" width="1000" height="852">Step 1 excludes MS/MS spectral matches to candidate bile acids where the experimental spectra lacked the two diagnostic MS/MS ions for bile acids. Steroids and lipids often exhibit similar MS/MS spectra to bile acids, sometimes yielding high cosine similarity scores (&gt;0.7), yet they lack key low-intensity diagnostic ions. Due to the low intensity of these ions, their presence or absence typically does not significantly affect spectral matching scores. However, our MassQL isomer filters in Step 1 identified these MS/MS spectra to reveal that 543 MS/MS spectra had the two characteristic fragment ions for mono-, di-, and trihydroxy bile acids (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.5c05677#fig4">Figure 4</a>a). A portion of the 543 MS/MS spectra are adducts, in-source fragments, and multimers, overall reducing the number of unique bile acid structures. Based on retention time and peak shape correlation analysis in MZmine4, <a href="javascript:void(0);">(63)</a> a strategy that allows the discovery of ion forms associated with a specific molecule, we estimate these to represent 402 bile acids. Even though the data contained evidence for hundreds of unique bile acids, the stereo- and regiochemistry of hydroxylations were yet to be defined.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Anal_Chem_2026_98_6_4571_4584_Figure_4_Filtering_of_bile_acid_isomers_in_an_untargeted_LC_MS_MS_data_set_d7f119b028.jpg" alt="Anal. Chem. 2026, 98, 6, 4571–4584: Figure 4. Filtering of bile acid isomers in an untargeted LC-MS/MS data set. Representative example for using the MassQL filters for identifying bile acid isomers. (a) Overview of study design. Fecal samples from herbivores (n = 3), omnivores (n = 23), and carnivores (n = 13) were analyzed by LC-MS/MS and processed using MZmine4 and FBMN on GNPS2. Stepwise MassQL filtering refined candidate bile acids from 543 features (Step 1) to 96 (Steps 2 and 3) and 49 stereo and regiochemistry assigned MS/MS spectra (Step 4). Differential abundance of bile acids between herbivores/omnivores and carnivores is illustrated in the volcano plots (b) at Step 1 and (c) Step 4 of the dihydroxy filtering tree. The annotation of a previously uncharacterized bile acid was refined from (OH)2-N-acetyl-putrescine to 3,12α-N-acetyl-putrescine." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Anal_Chem_2026_98_6_4571_4584_Figure_4_Filtering_of_bile_acid_isomers_in_an_untargeted_LC_MS_MS_data_set_d7f119b028.jpg 243w," sizes="100vw" width="1819" height="1170">The application of our MassQL filtering tree allowed us to further refine structural details within the bile acid core. After Step 2 and Step 3 of the MassQL filtering, we separated the amidated mono-, di-, and trihydroxylated bile acids from their ketones and unconjugated versions to give 96 bile acids (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.5c05677#fig4">Figure 4</a>a). A univariate analysis at Step 1 of bile acid annotations showed a higher abundance of almost all bile acids in the carnivores compared to herbivores and omnivores combined (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.5c05677#fig4">Figure 4</a>b). As we move down the MassQL filtering tree to Step 4, we can now hypothesize the regio- and, in many cases, the stereochemistry of their hydroxyl positions. With the current implementation of the tree, we can predict the bile acid cores of 49 MS/MS spectra (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.5c05677#fig4">Figure 4</a>a). The highest number of spectral matches that could be assigned are dihydroxylated bile acids, symbolized here as (OH)2 (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.5c05677#fig4">Figure 4</a>c). These were categorized into individual bins of 3,12α-(OH)2, 3,7-(OH)2; 3,6-(OH)2; 3,12β-(OH)2; 7,12β-(OH)2 and 3,6-(OH)2 isomers following the application of the dihydroxy isomer filtering tree.<h4>Conclusion</h4>In conclusion, this study introduces the concept of using a MassQL MS/MS fragmentation-based filtering tree approach to enable precise regio- and stereochemical differentiation of bile acid isomers, which were subsequently validated against reference standards. The method expands the ability to annotate bile acids and has led to the discovery of bile acid deoxycholyl-N-acetyl-putrescine, which had previously been detected in the feces of carnivores but not structurally characterized. By making annotated MS/MS spectra publicly available and enabling the MassQL queries, this approach enhances bile acid analysis, offering innovative tools for exploring their metabolic roles and biological significance, including retro-analysis of regio- and stereochemical isomer variations in existing public LC-MS/MS data.</div>

MS/MS Mass Spectrometry Filtering Tree for Bile Acid Regio- and Stereoisomer Annotation

In the week of April 6, 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 5 500 GC, LC, MS and spectroscopy webinars.</blockquote><h5>1. Waters Corporation: Fit-for-purpose workflows for inositol stereoisomer profiling in dietary supplements and foods using single and tandem mass spectrometry</h5><ul><li>Tu, 7.4.2026 19:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/6030">Registration</a></li></ul>The aim of this webinar is to present analytical procedures capable of simultaneously separating and quantifying free inositol stereoisomers in both simple matrices and complex matrices.<h5>2. Thermo Fisher Scientific: Transforming Fuel Testing Performance with Combustion Ion Chromatography</h5><ul><li>We, 8.4.2026 07:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/6093">Registration</a></li></ul>Join us for an interactive session on how Combustion Ion Chromatography (C-IC) is transforming fuel testing performance in modern laboratories.<h5>3. SCIEX: Getting started with LC-MS/MS for PFAS</h5><ul><li>We, 8.4.2026 10:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/6102">Registration</a></li></ul>Learn how to build LC-MS/MS methods for PFAS analysis, achieve ultra-low detection limits, and gain practical skills for environmental and food testing in this expert-led webinar.<h5>4. Phenomenex: Extraction Face-Off: Choosing Between SLE and SPE</h5><ul><li>We, 8.4.2026 10:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/6092">Registration</a></li></ul>Understand how SLE and SPE work and how they are different from each other.<h5>5. Waters Corporation: RADIAN™ ASAP Mass Spectrometry for the Detection and Analysis of Explosive Traces</h5><ul><li>We, 8.4.2026 16:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/6031">Registration</a></li></ul>Explore how mass spectrometry enables rapid detection of trace explosives. Learn how RADIAN™ ASAP extends forensic and security workflows, supporting future screening technologies and ion-mobility innovation.<h5>6. Technology Networks: Label Free Quantitation: New Insights Into High-Throughput Proteomic Workflows</h5><ul><li>Th, 9.4.2026 16:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5969">Registration</a></li></ul>Discover how next-generation LC–MS and the ZenoTOF 8600 enable robust, high-throughput LFQ proteomics, backed by insights from a large multi-laboratory benchmark study.

Webinars LabRulezLCMS Week 15/2026

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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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<h3>Solving Problems That Matter - a Waters webinar series featuring USP speakers</h3><h4>Episode 9: Nitrosamines</h4>When present in pharmaceutical products, nitrosamine impurities - a probable carcinogen - can disrupt drug supply chains and lead to shortages resulting from product recalls and withdrawals.Join our panelists Naiffer Romero from the USP and Marian Twohig from Waters Corporation as they address analytical challenges in the detection and control of nitrosamines and Nitrosamine Drug-Substance Related Impurities (NDSRIs).Key learning objectives:<ul><li>Understand the current analytical challenges associated with the detection and control of nitrosamine impurities. Explore fit-for-purpose and compliant-ready LC-MS-MS solutions for the cGMP laboratory.</li></ul>Who should attend:<ul><li>Pharmaceutical scientists involved with the detection and control of nitrosamines impurities</li></ul><blockquote>Presenter: Naiffer Romero, MSc, MPH (Principal Scientist - Scientific Affairs, US Pharmacopeia)</blockquote><blockquote>Naiffer has more than 20 years of pharmaceutical industry experience. In his 13+ years tenure with USP, he has served several roles: Lead scientist in the dosage form performance laboratory, reference standard development team, Manager in charge of LATAM Compendial engagement and education, responsible for stakeholders and national regulatory bodies engagement. Naiffer is also a certified USP Education instructor. Most recently, Naiffer joined USP's Scientific Affairs performance cell, where he leads scientific outreach and engagement for LATAM &amp; U.S. on key national health priority topics. His combined pharmaceutical expertise includes Analytical Development, salt and polymorph selection, Development of dissolution methods, IVIVC modeling, and impurity analytical strategy. Naiffer also serves as a member of USP's Nitrosamine Steering Committee and community host to 'Nitrosamine Exchange,' a knowledge community in All-things Nitrosamine. Naiffer also liaises technical discussion on pharmacopeial collaboration, including international meetings of World Pharmacopeias (part of WHO).</blockquote><blockquote>Presenter: Marian Twohig, Ph.D. (Consultant Scientist, Waters Corporation)</blockquote><blockquote>Marian has over 20 years of experience supporting quantitative and qualitative applications in the pharmaceutical, food and environmental and materials science industries. She works as a Consultant Scientist for Waters Corporation where she has previously held several Senior Scientist positions. Currently, the focus of Marian’s work is in the development of quantitative analytical methods to meet the needs of the pharmaceutical industry. She is particularly interested in chromatographic separations and the application of combining low- and high-resolution mass spectral data with other chemical information for identification of unknown chemical entities. Marian holds a Ph.D. in Analytical Chemistry from Munster Technological University, Cork, Ireland.</blockquote><blockquote>Moderator: Isabelle Vu Trieu (Pharmaceutical Market Development Manager, Americas, Waters Corporation)</blockquote><blockquote>Isabelle is a business development professional dedicated to delivering benefits to analytical scientists in the life sciences industry. With over 20 years of experience in providing chromatography and mass spectrometry solutions, Isabelle is particularly interested in helping pharmaceutical scientists achieve the data quality and integrity needed to drive decisions for drug quality, safety and efficacy. Isabelle joined Waters in 2009 and currently manages the development of the pharmaceutical market in the Americas. She holds Masters’ degrees in Chemistry from Columbia University and the University Claude Bernard in Lyon, France as well as a Chemical Engineering degree from Ecole Supérieure de Chimie Physique Electronique in Lyon, France.</blockquote>

Waters Corporation: Solving Problems That Matter - a Waters webinar series featuring USP speakers

Nitrosamines

This webinar will address analytical challenges in the detection and control of nitrosamines and Nitrosamine Drug-Substance Related Impurities (NDSRIs).

<h4>European Free Educational Webinar Series</h4>
Let&#39;s go back to the basics of Chromatography, Mass Spectrometry, Data Analysis and Trouble-shooting: understanding the importance of the basics will enable you to be more effective in your daily laboratory life.
<h4>EPISODE 6</h4>
The importance of Compliance
What will you learn?
<ul>
<li>Data Integrity Matters - A short Overview</li>
<li>What is important in your Lab Environment</li>
</ul>
<blockquote>
Prezenter: Arjan Timmerman (Pharma Market Development Manager EMEA, Waters Corporation)
</blockquote>
<blockquote>
Arjan Timmerman is a market development manager at Waters working in EMEA. Prior to joining Waters in 2014 he worked for 17 years as an Analytical Scientist in the Small Molecule Pharmaceutical industry in various Chemical and Pharmaceutical late-stage development labs.
</blockquote>
<blockquote>
Since 2023 he became QA/QC market development manager for EMEA working in a dedicated team and focuses on Pharmaceutical workflows, AQbD, Impurities, LC Chromatography and Compliance.
</blockquote>
<h4>What&#39;s next?</h4>
Full Webinar Series Episodes List is available <a href="https://event.on24.com/wcc/r/4551012/F69479929A905500D8B21508527807E5/5385652">here</a>
Back to Basics - Sample Preparation: Theory and Overview
<ul>
<li>Tuesday, May 07, 2024, 11:00 AM CEST</li>
</ul>
Back to Basics - Sample Preparation: Tips &amp; Tricks to make it simple
<ul>
<li>Wednesday, June 05, 2024, 11:00 AM CEST</li>
</ul>
Back to Basics - Theory of Liquid Chromatography
<ul>
<li>Wednesday, July 03, 2024, 11:00 AM CEST</li>
</ul>
Back to Basics - Basics of Liquid Chromatography
<ul>
<li>Tuesday, September 10, 2024, 11:00 AM CEST</li>
</ul>
Back to Basics - Analytical Method Development
<ul>
<li>Wednesday, October 02, 2024, 11:00 AM CEST</li>
</ul>
Back to Basics - The importance of Compliance
<ul>
<li>Tuesday, October 22, 2024, 11:00 AM CEST</li>
</ul>
Back to Basics - Introduction to Mass Spectrometry
<ul>
<li>Wednesday, November 13, 2024, 11:00 AM CET</li>
</ul>
Back to Basics - Troubleshooting your LC and MS Systems
<ul>
<li>Tuesday, December 10, 2024, 11:00 AM CET</li>
</ul>
Not sure to be able to attend live sessions?
Register today and watch the webinars on-demand

Waters Corporation: Back to Bacisc Free Educational Webinar Serries

The importance of Compliance

Why data integrity matters and what is important in your lab environment.

<h4>Virtual event: Pharma conclave series 2024</h4>SCIEX offers the platform for the experts to take the stage and drive technological progressWelcome to Pharma conclave series 2024 – where our customers’ expertise meets innovation, transforming your knowledge and empowering you to revolutionize your work processes. Join us in discovering techniques that will enhance your skills to accelerate your daily operations in the development of new drugs.From the research of new markers to the drug development moving into non and GLP bioanalysis. Confidently plan your next lab expansion with the knowledge gained from industry leaders and pioneers.<ul><li>May 16 Event 1: Pharma omics</li><li>September 17 Event 2: Impurities</li><li>October 23-24 Event 3: Pharma</li></ul>10:00 a.m.–12:00 p.m. CET<h3>Event 3: Pharma</h3>The pharma connectionFrom discovery to QA/QC. All the process to bring a new treatment to the patients is following a path to connect the different stages until the magic happens.Join to see how the scientists are generating the needed tricks to connect the initial though with the final formulation.<h3>Day 1</h3><h5>10:00 - 10:30 - Metabolomics screening kits for use in clinical trials</h5><ul><li>Heike Wiese, Nuvisan</li></ul><h5>10:30 – 11:00&nbsp;- Sphingolipid biomarkers in neurodegenerative drug development</h5><ul><li>Jose Carlos Gonzalez, AMSbiopharma</li></ul><h5>11:00 – 11:30 - Parallel setup of a series of micro LC methods, coupled with the low-resolution mass spec (API7500) for &nbsp;TG2 inhibitors</h5><ul><li>Davide Massari and Chiara Olmi, ERBC Group</li></ul><h5>11:30 – 12:00&nbsp;- PFAS analysis and mass spectrometry: Beyond environmental, food and packaging. What about cosmetic and pharmaceutical products?</h5><ul><li>Emiliano De Dominicis, Merieux</li></ul><blockquote>Presenter: Bruno Manadas, PhD</blockquote><blockquote>Dr Manadas is a prominent Cell Biology researcher at CNC-UC since 2017. With expertise in biochemistry, psychology, and biotechnology, he's authored 130+ publications and led multiple projects. As head of CNC's Mass Spectrometry node and Associate Editor for Frontiers, he's contributed significantly to neuroscience and psychiatry. Bruno's research focuses on cell biology mechanisms, translational biomarker research, and MS-based approaches for studying protein oxidation. He played a pivotal role in establishing the hospital biobank and teaches at the Portuguese Catholic University.</blockquote><blockquote>Presenter: Dorte Bekker-Jensen</blockquote><blockquote>Dorte is heading the Applications Development team in Proteomics Research at Evosep. She has long-term experience within proteomics and has focused on technology development by developing simple and automated workflows for high-throughput applications.</blockquote><blockquote>Presenter: Stefan Ledinger</blockquote><blockquote>Stefan has 20 years of experience in the life sciences and diagnostic industries. For the last dozen years, he has been serving various functions within biocrates life sciences ag. Most recently, he has been responsible for the market development for metabolomics solutions in the pharmaceutical and biotech industries. He currently serves as Global Head of Sales. Stefan holds degrees in business administration and bioengineering, combining commercial know-how with a passion for science.</blockquote><blockquote>Presenter: Markus Langsdorf</blockquote><blockquote>Markus has 14 years of experience in life sciences industries. As he joined biocrates in 2010, he worked for 11 years as application support specialist for biocrates’ metabolomics profiling solutions. 3 years ago he changed his position withing the company to his new function as product manager. Markus studied chemistry and graduated with a PhD in Analytical Chemistry.</blockquote>

Pharma conclave series 2024: Pharma (Day1)

From discovery to QA/QC. The process to bring a new treatment to the patients.

This webinar is about single quad mass detectors. We will look at the development of single quads together and highlight the possibilities offered by today's single quads and how they support the user.The aim of the webinar is to show users how they can easily add mass-selective confirmation to their HPLC-UV methods. In other words: achieve greater security without more complexity.<blockquote>Presenter: Shaun Pritchard (Product Specialist Liquid Phase Separations, Agilent Technologies)Shaun Pritchard is a Product Specialist for separation products at Agilent Technologies covering the UK and Ireland. He started his career in 1989 working at a large Pharmaceutical company holding a number of roles, this is where he became passionate about HPLC finally in 1998 he took the leap to leave the lab and move to the commercial side of things and has had a number of roles within the industry until 2017 he joined Agilent.</blockquote>

Agilent Technologies: HPLC Beginner Webinar Series

Single Quad mass detection II

We will look at the development of single quads together and highlight the possibilities offered by today's single quads and how they support the user.

This webinar will guide you through optimizing your Q-TOF for superior data quality by selecting the most suitable tune mode for your samples.You will learn about the different optimisation workflows available within MassHunter Acquisition, including how to optimise Multiple Reaction Monitoring (MRM) methods for new compounds. We will also review key tools for creating and editing worklists, and discuss the benefits of Intelligent Reflex tools, demonstrating how they can be effectively implemented in your workflows.This webinar is designed to enhance your understanding and application of MassHunter Acquisition, ensuring you can achieve optimal performance in your analytical processes.<blockquote>Presenter: Day Powell (Field Application Specialist, Agilent Technologies)Day has worked for Agilent as an Environmental Application Specialist for over a year, before this he worked for United Utilities (UU) as a Technical Specialist responsible for developing new methodologies for both LC/MS and GC/MS applications. Day has worked with PFAS for several years and helped UU to UKAS accredit a novel method for 47 PFAS in drinking water using direct injection to address the latest DWI regulations. Presenter: Jonathan Spencer (Application Specialist, Agilent Technologies)Jonathan studied BSc Natural Sciences at the University of Nottingham and later went on to Sheffield Hallam University to study a MSc in Forensic Science.Following graduation, he spent 2 years as a Confirmatory Analyst in an anti-doping and forensic toxicology lab, before joining Agilent as an LC/MS Applications Scientist. At Agilent, he focuses on small molecule applications using LC/TQ and LC/Q-TOF in fields of like food, forensic and environmental analysis.</blockquote>

Agilent Technologies: MassHunter Masterclass Months

MassHunter Acquisition for LC/TQ and MRM Method Optimisation

This session will provide a comprehensive overview of the various aspects of MassHunter Acquisition for Liquid Chromatography/Triple Quadrupole (LC/TQ) systems.

By watching the presentation, you will learn<ul><li>how to develop sensitive and selective LC-MS analysis of organoids</li><li>how to tailor sample preparation procedures to fit the uniqueness of such biosamples</li><li>how to proceed with method validation</li></ul>Event OverviewThis webinar emphasizes the significance of capillary HPLC coupled with mass spectrometry in two parts. The first part discusses Merck's Lipidomics Analytical Platform for mRNA Lipid Nanoparticle (LNP) Innovation, aiming to study LNP metabolization and predict metabolites for regulatory approval of LNP-based therapeutics.The second part focuses on the use of liquid chromatography-mass spectrometry (LC-MS) as a powerful tool for studying organoids and organ-on-chip (OoC) models. These models, used as alternatives to animal models, require sensitive analytical tools, and LC-MS methods for proteomics, lipidomics, peptidomics, and drug metabolism studies are being developed and applied for this purpose. The presentation also highlights the advantages of miniaturization of the LC system and on-line analysis for sensitive and automated measurements with minimal sample loss and contamination.What you need to know:Date: 17 October, 2024Start times: Broadcast #1: 17 October - 9 am BST (London) / 10 am CEST (Paris/Berlin) / 1:30 pm IST (New Delhi) / 4 pm SGT (Singapore) Broadcast #2: 17 October - 9 am CDT (Chicago) / 10 am EDT (New York) / 3 pm BST (London) / 4 pm CEST (Paris/Berlin)Duration: Approximately 60 minutes<blockquote>Presenter: Dr. Jasjot Singh (Senior Scientist, Biomolecule Analytics Lab, Central Analytics, Merck KGaA, Darmstadt, Germany)Jasjot is a biochemist holding a PhD in LC-MS-based proteomics from the University of Bonn (2022), specializing in molecular biology. He transitioned directly to Merck KGaA, Darmstadt, Germany, where he now serves as a senior scientist in the biomolecule analytics lab of Central Analytics. In his current role, Jasjot leads diverse proteomics projects, including biomarker discovery and targeted protein degradation. He focuses on developing customized LC-MS workflows for protein, lipid, and metabolite analytics. His primary goals involve standardizing and automating workflows to enable high-throughput "omics" analysis, as well as optimizing streamlined data analysis pipelines.Presenter: Prof. Steven Ray Wilson (Department of Chemistry, University of Oslo, Norway)Steven Ray Wilson is a professor at the Department of Chemistry, University of Oslo. He is a principal investigator in a center of excellence that focuses on the development and study of organoids/OoCs in the Hybrid Technology Hub. He has close ties to the analytical community, as well as long-term collaborations with medical partners for clinical applications, for example.</blockquote>

Separation Science: Empowering Tomorrow’s Therapeutics with LC-MS Capillary Chromatography

Empowering Tomorrow’s Therapeutics with LC-MS Capillary Chromatography

This webinar emphasizes the significance of capillary HPLC coupled with mass spectrometry.

Therapeutics with LC-MS Capillary Chromatography

This is the second in our three-part Ask Me Anything webinar series on one of the most frequently asked about topics - processing data. The Components tab in the Processing Method displays many fields of information, giving you options about peak identification, calibration, reference peaks, and fields used in conjunction with custom fields.In Part 2 of this series, we will discuss:<ul><li>Peak identification</li><li>Calibration options including external and internal calibration</li><li>Reference Peaks for peak identification and calibration</li><li>Impurity fields</li><li>CCompRef1, 2, 3, and CConst1-7</li><li>Fields related to chemical structures</li></ul>Please join us for a lively discussion as we explore this topic. As always, please bring your questions for this exclusive opportunity to ask our experts anything about Empower Software.<blockquote>Presenter: Neil Lander (Principal Product Manager, Informatics, Waters Corporation)Neil has worked for Waters Corporation since 1994 and has held a variety of positions including Technical Support Specialist, Technical Trainer, Manager Customer Education and currently, Principal Marketing Manager focusing on Informatics solutions. He provides internal support for Empower Chromatography Data System and is focused on developing laboratory software solutions that help organizations achieve their scientific and operational objectives. Prior to joining Waters, he was an analytical chemist where he gained experience in both the cosmetics and specialty chemical industries.</blockquote>

Waters Corporation: Empower Tips: Ask Me Anything About Processing Data - Part 2

Empower Tips: Ask Me Anything About Processing Data - Part 2

This is the second in our three-part Ask Me Anything webinar series on one of the most frequently asked about topics - processing data.

Empower Tips: Ask Me Anything About Processing Data

Join us for an enlightening Digital Classrooms session focused on the pivotal advancements in mass spectrometry (MS) technology and its applications in personalized health monitoring, early disease detection, and critical care management.This session, led by esteemed experts Dr. Naatasha Isahak and Dr. Abhik Banerjee, Zonal Technical Chief of Apollo Diagnostics' East Zone, will uncover how MS is transforming modern healthcare.Explore how MS technology facilitates the quantification of vitamins, hormones, metabolites, and proteins, providing insights into metabolic health, nutritional status, and organ function. Additionally, through real-world case studies, learn how MS is utilized for rapid diagnosis and therapeutic monitoring in acute conditions, such as sepsis and organ failure.Don’t miss this opportunity to understand the technical aspects of MS-based assays, as well as practical considerations for integrating these tools into clinical workflows for enhanced patient outcomes. Whether you are involved in clinical diagnostics or health management, join us to discover the expanding influence of mass spectrometry in today’s healthcare landscape.<h5>Learning Objectives:</h5><ul><li>Delve into the latest advancements in MS technology and its applications in personalized health monitoring, early disease detection, and critical care management.</li><li>Discover how MS quantifies biomarkers like vitamins, hormones, metabolites, and proteins, and its role in assessing metabolic health, nutritional status, and organ function.</li><li>Gain practical insights into seamlessly integrating MS-based assays into clinical workflows, with real-world case studies demonstrating its effectiveness in rapid diagnosis and therapeutic monitoring of acute conditions like sepsis and organ failure.</li><li>Explore a concise overview of Shimadzu's innovative solutions tailored for wellness diagnostics and critical care applications.</li></ul><blockquote>Presenter: Dr. Abhik Banerjee (Zonal Technical Chief, East Zone, Apollo Diagnostics)Dr. Abhik Banerjee is a highly accomplished pathologist with over 11 years of post-MD pathology experience and more than a decade as a Consultant Pathologist. He currently serves as the Zonal Technical Chief for East Zone at Apollo Diagnostics, overseeing the operations of around 30 laboratories in East India. A specialist in laboratory medicine, pathology, and quality control, Dr. Banerjee has spearheaded the establishment of the first LC-MS/MS (Tandem mass spectrometry) setup in Eastern India at Suraksha Diagnostics, Kolkata. He has held leadership roles such as Lab Director and Chief of Quality at Suraksha Diagnostics' COVID-19 Cell, and was the Nodal Officer for the only CAP-accredited medical laboratory in East India. He has contributed to the field with publications in national journals and received the Dx Leadership Award in 2019. Additionally, Dr. Banerjee is a certified lead assessor for CAP audits, has extensive experience with NABL and ISO 15189 audits, and has been an active speaker and reviewer for medical journals.Presenter: Naatasha Isahak (Market Specialist (Clinical and Forensics), Shimadzu (Asia Pacific) Pte Ltd)Naatasha Isahak is a Product Specialist for MALDI and Life Sciences Products from Shimadzu Asia Pacific Pte Ltd. She has received her PhD from the University of Sydney (Chemistry) working on surface initiated polymerisation on silica nanoparticles using RAFT polymerisation and bioorthogonal conjugation of peptides using Native Chemical Ligation. She then spent 5 years working on developing platforms for stem cells and organoids characterization that included working with microfluidic devices and helical polymers. Naatasha joined Shimadzu in 2022 to expand her experiences to MALDI characterization on materials and biological samples.</blockquote>

Shimadzu: Wellness Diagnostics And Critical Care

Wellness Diagnostics And Critical Care

We will uncover how MS is transforming modern healthcare.

<div><div>Therapeutic synthetic oligonucleotides represent unique analytical challenges in late-stage development. To meet the stringent regulatory requirements, highly specific and sensitive methods such as liquid chromatography-mass spectrometry (LC/MS) must be used. However, neither chromatography nor mass spectrometry data systems have the capabilities, both in function and in data integrity, for the typical QC analyst end user to run a highly complex method such as purity, assay, and impurity profiling for therapeutic oligos such as anti-sense oligonucleotides.In this presentation, we present a paradigm shift in software with Oligo Analysis Accelerator for OpenLab CDS. This application streamlines the analytical workflow by using a fit-for-purpose user interface while leveraging existing data integrity and compliance architecture within OpenLab CDS.<h4>By attending this webinar, you will:</h4><ul><li>Understand the fundamentals of ion-pair reversed-phase LC/MS for oligonucleotides</li><li>Discover how a single quadrupole detector is used for impurity profiling of anti-sense oligonucleotides</li><li>Learn how fit-for-purpose software for LC/MS analysis in QC lot release can save time and enhance quality</li></ul><h5>Who should attend</h5><ul><li>Analytical chemists interested in cutting-edge software for large molecule late-stage development</li><li>Analytical research and development labs interested in developing robust methods for single-stranded oligo therapeutics</li><li>Process scientists who rely on in-process control purity results to optimize synthesis and purification for oligos</li><li>Quality assurance and quality control personnel supporting oligo testing labs</li></ul><blockquote>Presenter: Brian Rivera (Software Product Manager, Agilent Technologies)Brian Rivera is a software product manager at Agilent Technologies with 20 years of experience in HPLC analysis of large molecules.</blockquote></div></div>

Separation Sciences: Boost Efficiency in Oligonucleotide QC with Software Designed for the Job

Boost Efficiency in Oligonucleotide QC with Software Designed for the Job

In this presentation, we present a paradigm shift in software with Oligo Analysis Accelerator for OpenLab CDS.

Oligonucleotide QC with Software Designed for the Job

Christian Rohrer, Director Sales and Support at Tosoh Bioscience GmbH, will present the next edition of Tosoh Tuesday, a webinar series held by Chromatography Experts.&nbsp;Analytical scientists are faced with the task of finding the right column from an almost unmanageable range of products. On Tuesday, October 22, Andrea Krumm, Product Manager Analytical Columns at Tosoh Bioscience, will focus on columns that enable protein analysis under native conditions through size exclusion, hydrophobic interaction and ion exchange chromatography. We will highlight the different column characteristics (pore size, particle size, base matrices, column dimensions, ligands) and which questions will help you decide which columns to use.After the webinar, ask your questions during the live Q&amp;A session.<blockquote>Presenter: Andrea Krumm (Product Manager Analytical Columns at Tosoh Bioscience)</blockquote>

Tosoh Bioscience: How to select (U)HPLC columns for protein analysis?

How to select (U)HPLC columns for protein analysis?

Columns that enable protein analysis under native conditions through size exclusion, hydrophobic interaction and ion exchange chromatography