A review of analytical parameters in ‘rapid’ liquid chromatographic methods for bioanalysis: Can we do better? This year our Laboratory Operations Manager, Katie Lawlor, published her first academic paper on the applications of rapid bioanalysis 🤝 Read the #academic paper here: https://ow.ly/YnQO50SzKYm #academicpublishing #teamsuccess #bioanalysis
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A review of analytical parameters in ‘rapid’ liquid chromatographic methods for bioanalysis: Can we do better? Our Laboratory Operations Manager, Katie Lawlor, has just published her first academic paper on the applications of rapid bioanalysis 🤝 Read the #academic paper here: https://ow.ly/YnQO50SzKYm #academicpublishing #teamsuccess #bioanalysis
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Jonathan Zheng is our resident expert on properly preparing datasets, and this article is a critical component of that process - give it a read.
Our manuscript was just published today as an ACS Editors' Choice Article! In this paper, we call attention to a terminological issue in describing data for acid dissociation constants, an issue which appears even in the widely-used ChEMBL Database. This causes inconsistencies between the thermodynamic interpretations of the data and their experimental labels, leading to further issues in models trained on such data. This wouldn't have been possible without the efforts of co-author Prof. Ivo Leito and my PI Prof. William Green - special thanks to both of you. ➡️ Read it here: https://lnkd.in/evWun_pJ
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Our manuscript was just published today as an ACS Editors' Choice Article! In this paper, we call attention to a terminological issue in describing data for acid dissociation constants, an issue which appears even in the widely-used ChEMBL Database. This causes inconsistencies between the thermodynamic interpretations of the data and their experimental labels, leading to further issues in models trained on such data. This wouldn't have been possible without the efforts of co-author Prof. Ivo Leito and my PI Prof. William Green - special thanks to both of you. ➡️ Read it here: https://lnkd.in/evWun_pJ
Widespread Misinterpretation of pKa Terminology for Zwitterionic Compounds and Its Consequences
pubs.acs.org
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Check out this important piece of work on Widespread Misinterpretation of pKa Terminology for Zwitterionic Compounds and Its Consequences. I got lots of help from this work as well because I saw inconsistency in pKa terminologies in various datasets.
Our manuscript was just published today as an ACS Editors' Choice Article! In this paper, we call attention to a terminological issue in describing data for acid dissociation constants, an issue which appears even in the widely-used ChEMBL Database. This causes inconsistencies between the thermodynamic interpretations of the data and their experimental labels, leading to further issues in models trained on such data. This wouldn't have been possible without the efforts of co-author Prof. Ivo Leito and my PI Prof. William Green - special thanks to both of you. ➡️ Read it here: https://lnkd.in/evWun_pJ
Widespread Misinterpretation of pKa Terminology for Zwitterionic Compounds and Its Consequences
pubs.acs.org
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In the DDU’s latest paper Fraser Hughes and Alex Cookson from the our compound management team investigated an issue which impacts on the results of high through-put screening with compound libraries. Dry DMSO can rapidly pull water vapor out of the air due to its hygroscopic nature. This is a well-documented problem within drug discovery, particularly within high-throughput screening (HTS). This hydration is caused by atmospheric moisture being absorbed each time a compound library is used. This effect becomes increasingly pronounced when a compound library is used routinely. The result of this hydration is a change to both the total volume of solution and the concentration of sample still in solution. This can result in a large amount of variability in the measured biological activity of a sample depending on the library usage. In this paper, we show the detrimental effects the hydration of sample libraries has on the reproducibility of biological data and present a novel way to remove it from HTS library plates. Read their solution in SLAS Technology vol 29 https://lnkd.in/eVJgxz6S We thank Roylan Developments Ltd and in particular Stuart Naylor for help with this project. #drugdiscovery #highthroughputscreening #compoundlibraries #methoddevelopment #publication
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New Whitepaper: Impure thoughts - reflections on the concept and measurement of purity in synthetic organic chemistry With the release of Mnova 15.1, we introduce a new mode, MCR-ALS, for Peak Purity Assessment in Mnova MSChrom, Advanced Chemometrics, and BioHOS plugins. Learn this whitepaper and discover how this innovative mode can streamline your workflows and facilitate decision making in LCMS data analysis. Key Highlights: - Purity concept. - Common pitfalls of traditional LCMS purity methods. - How MCR-ALS revolutionizes peak purity assessment. - Practical examples for better decision-making in chemical analysis. Download the Whitepaper! https://lnkd.in/dRt4XHY9 #Mnova #MSChrom #LCMS #PeakPurity
Impure thoughts - reflections on the concept and measurement of purity in synthetic organic chemistry - Mestrelab Research Analytical Chemistry Software
https://mestrelab.com
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MCR is a new revolutionary approach to purity calculations in #chromatography #massspectrometry data. The beauty of its implementation into Mestrelab Research S.L. 's #Mnova is the fact that it will be available for all instrument vendors by default - more accurate purity calculations has a lot of value in many #biopharma applications. Check at the white paper in the link provided SciY
New Whitepaper: Impure thoughts - reflections on the concept and measurement of purity in synthetic organic chemistry With the release of Mnova 15.1, we introduce a new mode, MCR-ALS, for Peak Purity Assessment in Mnova MSChrom, Advanced Chemometrics, and BioHOS plugins. Learn this whitepaper and discover how this innovative mode can streamline your workflows and facilitate decision making in LCMS data analysis. Key Highlights: - Purity concept. - Common pitfalls of traditional LCMS purity methods. - How MCR-ALS revolutionizes peak purity assessment. - Practical examples for better decision-making in chemical analysis. Download the Whitepaper! https://lnkd.in/dRt4XHY9 #Mnova #MSChrom #LCMS #PeakPurity
Impure thoughts - reflections on the concept and measurement of purity in synthetic organic chemistry - Mestrelab Research Analytical Chemistry Software
https://mestrelab.com
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This morning a new Analytical Chemistry paper was published, demonstrating once more the power of Newomics MnESI Platform for glycomics and glycoproteomics. In this paper, the performance of the recently developed multinozzle electrospray source (MnESI) and accompanying M3 emitter for microflow PGC-LC-MS analysis of N-glycans in negative mode is evaluated. In comparison to a standard electrospray ionization source, the MnESI with an M3 emitter improves signal intensity, identification, quantification, and resolution of structural isomers to accommodate low-input samples. ▶️ You can read the full article here: https://ow.ly/rhca50R6lRt #AnalyticalChemistry #Research #MSWil #MakingScienceWork
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🧬 In the following #paper review you can read about recent advances in the controlled enzymatic synthesis of #oligonucleotides. Take a look. 👁️⬇️ 📝 https://lnkd.in/dxwyUZaU #fundedbyCDTI
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“This study showed that LF NMR can be used as an efficient alternative for the compositional analysis and authentication of avocado oil.” This is one of the major conclusions Fenfen T. and colleagues from the group of Emmanuel Hatzakis at The Ohio State University arrived at during their recent study. Measuring proton NMR on a Spinsolve 60 MHz benchtop NMR spectrometer and applying chemometrics not only allowed for the differentiation of avocado oil from other edible oils, but also showed the feasibility of biomarker analysis. Read the full paper here: https://lnkd.in/eFUPET3k #NMR #benchtopNMR #magritek #spectroscopy
Analysis and authentication of avocado oil by low‐field benchtop NMR spectroscopy and chemometrics
ift.onlinelibrary.wiley.com
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Business Unit Director at Analytical Services International
3wNot only a fabulous Lab Ops Manager but driven for analytical advancement. Thank you Katie!