Evan Williams is Professor of Chemistry at UC Berkeley give another prospective on the current and future state of play woth charge detection mass spectrometry (CDMS) 🎯 Summary: Quoting the authors on current issues "Another significant issue is the speed of the devices. A lot of the data being published involves long accumulation times – sometimes an hour or two just to get a decent ion count. That’s acceptable when you’re developing a new technique, but in practical applications, it’s not something most users are willing to endure. Our goal is to reduce this time to be more in line with an LC time scale" Authors vvies on advantage of CDMS to the biopharma industry "The advantage of CD-MS for large particles is similar to the advantage of conventional mass spectrometry for smaller molecules (below a MDa): it provides very accurate mass measurements, quickly, with high sensitivity and specificity. This is valuable for characterizing anything involving large particles, whether it’s viral particles, synthetic lipid nanoparticles, or other examples we’ve been working on. For instance, we can determine how much RNA is in lipid nanoparticles, what the average size of the particles is, and how they are affected by processes like freezing" #massspectrometry #massspec #chemistry #biopharmaceutical #pharma #biotherapeutics #mrna
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Now that’s a big m/z with great promise in the analysis of large molecules. Charge state is reduced leading to the need to measure at higher m/z. Mass specs don’t directly measure mass, they measure mass/charge (m/z). One of the examples shown is AAV. Instrument used is a modified Q Exactive UHMR. This is the largest m/z ever detected in an orbitrap.
To 200,000 m/z and beyond: native electron capture charge reduction mass spectrometry deconvolves heterogeneous signals in large biopharmaceutical analytes
biorxiv.org
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ARI (Art Robbins Instruments) and Avrok Biosciences teamed up on an in-depth viability study of ARI’s renowned Scorpion liquid handling device - specifically for nucleic acid normalization applications. "In our pursuit of an optimal liquid handler, Avrok Biosciences assessed the performance of the Scorpion instrument from Art Robbins Instruments for nucleic acid normalization, with the aim of integrating it into our production workflow. The findings indicate that the Scorpion instrument exhibits a CV of under 5% for volumetric transfers and less than 5% for nucleic acid normalization, accompanied by a standard deviation of 0.11. These results underscore the instrument’s reproducibility and minimal variability, establishing its suitability for a diverse range of applications in laboratory settings." https://lnkd.in/e4emXegv This is currently being presented at SLAS2024 in Boston. #slas2024 #slas24 #liquidhandling #nucleicacid #screenbuilding #labautomation
Assessment of ARI Scorpion Device for Nucleic Acid Normalization
hudsonrobotics.com
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We never tire of all the acronyms that #NMR spectroscopists come up with! And while TREASURE* does, unfortunately, not stand for “Totally REvolutionary AnalySis Undertaken by Radiant Experimentators”, this study is a must-read, as it introduces an ultra-selective, ultrahigh-resolution NMR experiment that, based on the classic #TOCSY** method, makes it a lot easier to extract valuable structural information from complex #mixtures. James Montgomery, Emma Gates, Marshall J. Smith, Daniel A. Taylor, Jonathan P. Bradley, Daniel B. G. Berry, Peter Kiraly, Mathias Nilsson, Gareth A. Morris, Ralph Adams and LAURA CASTAÑAR ACEDO (The University of Manchester, Johnson Matthey and Universidad Complutense de Madrid) present TREASURE, a pulse sequence that combines #GEMSTONE*** excitation with homonuclear decoupling. This method significantly reduces spectral complexity by only showing signals of a selected spin system as singlets, allowing for clear identification of molecular structures in complex environments with many overlapping signals. The team demonstrate the successful analysis of complex mixtures, composed of Cinchona alkaloids or glucocorticoids. This technique is particularly useful for identifying specific components in #NaturalProduct extracts and for detailed structural analysis in #DrugDevelopment, making it a powerful tool for both academic research and pharmaceutical applications. Our Pick of the Week, published #OpenAccess in #ChemistryMethods: "Ultraselective, Ultrahigh Resolution 1D TOCSY" 🔎 https://ow.ly/708h50SYoSO We’ve got you covered: * TOCSY relayed excitation in acutely selective ultrahigh resolution experiments ** Gradient-enhanced multiplet-selective targeted-observation NMR experiment *** Total correlation spectroscopy
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Unlocking the secrets of supercritical fluids, Berlin, Germany (SPX) May 23, 2024 A study now published in Nature Communications provides new insights into the behavior of supercritical fluids, a state of matter between liquids and gases, with applications ranging from the pharmaceutical industry to planetary science. The findings, achieved at the Institut Laue Langevin (ILL), were at the limits of current experimental possibilities. A supercritical fluid is a substance, : Berlin, Germany (SPX) May 23, 2024
Unlocking the secrets of supercritical fluids
copernical.com
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Here Kline et al very nicely demonstrates the power of proton transfer charge reduction (PTCR) on the Orbitrap Ascend MS. 🎯Summary: What PTCR brings to the table is the ability to charge reduce overlap of product ion signals. This in turn allowed for an increase in top down sequence coverage to greater than 40% for VP3. Quoting the authors Kline et al "These results showcase the improvements in the sequencing of proteins >30 kDa that can be achieved by manipulating product ions via gas-phase reactions to obtain easy to-interpret fragmentation mass spectra." 📌 Publication Link: https://lnkd.in/ed7SppFs #massspec #massspectrometry #science #scienceandtechnology #pharm #chemistry #viralvectors #genetherapy #thermo Thermo Fisher Scientific
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Several hyperpolarization techniques have emerged over the past few decades to address the sensitivity limitations of NMR. In our latest blogpost we introduce a setup for fully automated photoCIDNP experiments with our Spinsolve benchtop NMR spectrometers and show first results illustrating the potential of the technique for measuring low concentrated analytes. e.g. in drug discovery or metabolomics. #benchtopNMR #nmr #drugdiscovery #metabolomics #magritek https://lnkd.in/eib-CFFy
Let your NMR signal shine - Automated photoCIDNP experiments with a Spinsolve benchtop NMR - Magritek
https://magritek.com
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⚛️ At the 30th 𝗜𝗻𝘁𝗲𝗿𝗻𝗮𝘁𝗶𝗼𝗻𝗮𝗹 𝗖𝗼𝗻𝗳𝗲𝗿𝗲𝗻𝗰𝗲 𝗼𝗻 𝗠𝗮𝗴𝗻𝗲𝘁𝗶𝗰 𝗥𝗲𝘀𝗼𝗻𝗮𝗻𝗰𝗲 𝗶𝗻 𝗕𝗶𝗼𝗹𝗼𝗴𝗶𝗰𝗮𝗹 𝗦𝘆𝘀𝘁𝗲𝗺𝘀 (#ICMRBS) in Seoul, we’re thrilled to be among the top researchers exploring the advancements in magnetic resonance within biological systems. It’s a unique opportunity to engage with leading experts shaping the future of this field. We’re passionate about how 𝗡𝘂𝗰𝗹𝗲𝗮𝗿 𝗠𝗮𝗴𝗻𝗲𝘁𝗶𝗰 𝗥𝗲𝘀𝗼𝗻𝗮𝗻𝗰𝗲 (NMR) technology drives innovation in drug discovery by offering unparalleled precision in structural biology. Leveraging advanced NMR, at IRBM we provide deep insights into molecular interactions, enabling the identification and optimization of lead compounds with high affinity and selectivity. 👉 Our poster on the "Discovery of a novel HTT ligand with preferential binding to polyQ expanded HTT Exon1", a study performed in collaboration with CHDI Foundation, sparked meaningful discussions, showcasing the critical role NMR plays in ligand discovery and characterization. We’re looking forward to continued exchanges with the community and new collaborations in pushing the boundaries of drug discovery. Alessandro Piai Michele Luche #ICMRBS2024 #StructuralBiology #NMR #DrugDiscovery #IRBM #Biotech
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Source: Clinical chemistry and laboratory medicine A new method using isotope dilution-liquid chromatography-tandem mass spectrometry (ID-LC-MS/MS) was developed and validated for accurately measuring carbamazepine-10,11-epoxide in human serum and plasma. The method demonstrated good selectivity, specificity, and accuracy, with a concentration range of 0.0400-12.0 μg/mL. The intermediate precision and repeatability were found to be less than 2.1% and 1.2-1.8% respectively. The measurement uncertainty ranged from 1.6-2.1%. This method provides a traceable and dependable platform for standardizing routine assays and assessing clinically relevant samples.
An isotope dilution-liquid chromatography-tandem mass spectrometry (ID-LC-MS/MS)-based candidate reference measurement procedure for the quantification of carbamazepine-10,11-epoxide in human serum and plasma
pubmed.ncbi.nlm.nih.gov
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Hynek, great job! It's the perfect time to start writing your thesis. I can add that Cyclosporin A is a critical immunosuppressant, and this paper was a joint venture with Marek Kuzma, Dominika Luptáková, Karel Lemr, and Jakub Zapal. We shared the instrumentation of the Institute of Microbiology, CAS, and Palacký University Olomouc. We reported that cyclic traveling wave ion mobility mass spectrometry (IM-MS) reveals an N → O peptidyl shift in singly protonated cyclosporin to isocyclosporin. No such isomerization was observed for doubly protonated and sodiated molecules. Sodium ion stabilization facilitated the simultaneous separation and quantitation of singly charged cyclosporin isomers with the limit of detection and coefficient of determination of 1.3% and 0.9908 for CycA in isoA and 1.0% and 0.9830 for isoA in CycA, respectively. Finally, 1H−13C gHSQC NMR experiments permitted parallel recording up to 11 cyclosporin conformers. The ratios were determined by integrating the volume of cross-peaks of the upfield resonating hydrogen in the diastereotopic methylene group of sarcosine-3. #massspectrometry #fticr #nmr #IonMobility #IonMobilitySpectrometry
With great pleasure, I am sharing my latest scientific article published in the ACS Analytical Chemistry journal in open-access form. Together with my colleagues, we explored the behavior of the important molecule, cyclosporine A, in the gas phase through the integration of mass spectrometry, ion mobility, and nuclear magnetic resonance techniques. #massspectrometry #MS #NMR #IMS
Exploring the Effects of Cyclosporin A to Isocyclosporin A Rearrangement on Ion Mobility Separation
pubs.acs.org
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Check out Atomwise groundbreaking work validating that AtomNet can find novel chemical starting points for targets with no known 3D structure and with no known ligands. https://lnkd.in/gHDZD9Rd
Atomwise Publishes Results from 318-Target Study Showcasing AtomNet AI Platform’s Ability to Discover Structurally Novel Chemical Matter
https://www.atomwise.com
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