Cambridge Isotope Laboratories, Inc’s Post

Curious which wins out, accurate mass vs. nominal mass for #metabolite identification? Check out this white-paper, where we review appropriate definitions and describe the theoretical basis of why accurate mass approaches offer a significant advantage over nominal mass approaches in the arena of qualitative analysis and specifically metabolite identification. 👉 Download Now: https://ow.ly/muyT50P0Hlk #dmpk #accuratemass #drugdiscovery

⏱ 𝗗𝗼 𝘆𝗼𝘂 𝘄𝗮𝗻𝘁 𝘁𝗼 𝗺𝗮𝗸𝗲 𝘁𝗵𝗲 𝗯𝗲𝘀𝘁 𝘂𝘀𝗲 𝗼𝗳 𝘆𝗼𝘂𝗿 𝘁𝗶𝗺𝗲 𝗶𝗻 𝘁𝗵𝗲 𝗹𝗮𝗯 𝗮𝗻𝗱 𝗮𝗿𝗲 𝗼𝗴𝗹𝗶𝗻𝗴 𝗮𝗻 𝗮𝘂𝘁𝗼𝗺𝗮𝘁𝗶𝗼𝗻 𝘀𝗼𝗹𝘂𝘁𝗶𝗼𝗻? This web seminar is as time-saving as the solution it presents: 𝘈𝘶𝘵𝘰𝘮𝘢𝘵𝘦 𝘚𝘪𝘮𝘱𝘭𝘦 𝘞𝘦𝘴𝘵𝘦𝘳𝘯™ 𝘑𝘦𝘴𝘴 𝘗𝘭𝘢𝘵𝘦 𝘗𝘳𝘦𝘱𝘢𝘳𝘢𝘵𝘪𝘰𝘯 𝘸𝘪𝘵𝘩 𝘵𝘩𝘦 𝘓𝘪𝘲𝘶𝘪𝘥 𝘏𝘢𝘯𝘥𝘭𝘦𝘳 𝘊𝘺𝘉𝘪𝘰 𝘍𝘦𝘭𝘪𝘟 Get to know our easy automation of the Simple Western™ Jess plate setup. Learn how the CyBio FeliX from Analytik Jena can prepare samples and set up the Jess plate to prepare it for the capillary Western blot analysis. During setup, the CyBio FeliX adapts to different grids – 24 and 96-well format, and the unique 25-lane dimension of the Jess plate. ⏱ 𝗜𝗻𝘃𝗲𝘀𝘁 𝟭𝟬 𝗺𝗶𝗻𝘂𝘁𝗲𝘀 𝗮𝗻𝗱 𝘀𝗮𝘃𝗲 𝗵𝗼𝘂𝗿𝘀 𝗮𝗻𝗱 𝗵𝗼𝘂𝗿𝘀. 𝗪𝗮𝘁𝗰𝗵 𝗻𝗼𝘄 𝗳𝗼𝗿 𝗳𝗿𝗲𝗲 👉 https://lnkd.in/ehp_N4TR #AnalytikJena #LifeSciences #Biotechnology #Pharma #FleXYourFeliX

Our paper on the new data pipeline that identifies protein conformational states in the PDB archive has now been published! The study addresses the challenge of grouping protein conformational states, which are often represented as static structures in the PDB. We developed a deterministic pipeline to cluster protein conformations in the PDB based on global structural similarities. This method helps in identifying distinct conformational states of proteins, providing a comprehensive view of their dynamic behaviors. It runs weekly on the entire PDB archive. Users can access the superposed clusters via the PDBe-KB platform by selecting the "3D view of superposed structures" for a given UniProt entry. The Mol* viewer displays the aligned conformations, and detailed cluster results can be viewed in dendrogram format. ⬇️ Read more⬇️ https://lnkd.in/epPcWSuH ⬇️ Code available⬇️ https://lnkd.in/eXNMuj8v

In particular, chromatographs and mass spectrometers are often used to measure metabolites in combination because they can measure various metabolites with high sensitivity. LC/MS and GC/MS differ in detectable compounds, and both methods can be used to obtain complementary data. By using Multiomics Analysis Package, GC/MS and LC/MS data were integrated and visualized on a single metabolic map. Learn more: https://zurl.co/vVrQ #Shimadzu #multiomics #metabolomics

Exciting news! Our new blog post explores the impact of batch effects in metabolomics research. Visit https://lnkd.in/gFYccy69 to discover how these effects can influence data accuracy and repeatability. Learn strategies for reducing batch effects, including sample processing tips and correction methods. Elevate your metabolomics data analysis—check out the link now! #Metabolomics #BatchEffects #DataAnalysis #ResearchMethods

Don't miss out on essential insights about how these effects can influence data accuracy and repeatability. Discover effective strategies for reducing batch effects, including invaluable sample processing tips and correction methods. Elevate your metabolomics data analysis by checking out the link now! https://lnkd.in/gt8genXf #Metabolomics #BatchEffects #DataAnalysis #ResearchMethods

Corynantheine-type alkaloids are major components of the Mitragyna speciosa, also known as kratom, that exhibit unique pharmacological activity. However, no universal method to prepare these alkaloids has been reported. Disclosed herein is a catalytic, asymmetric platform that enables rapid access to corynantheine alkaloids. The first enantioselective total synthesis of (−)-corynantheidine pseudoindoxyl is described. The first asymmetric syntheses of (+)-corynoxine and (−)-corynoxine B were also achieved, along with enantioselective syntheses of (−)-corynantheidol and (−)-corynantheidine. Through this work, all series of corynantheine alkaloids including indole, spirooxindole, and pseudoindoxyl can now be accessed in the laboratory, enabling comprehensive biological investigation of kratom alkaloids to be undertaken.

The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods ChEMBL (https://lnkd.in/eNA9MChV) is a manually curated, high-quality, large-scale, open, FAIR and Global Core Biodata Resource of bioactive molecules with drug-like properties, previously described in the 2012, 2014, 2017 and 2019 Nucleic Acids Research Database Issues. Since its introduction in 2009, ChEMBL’s content has changed dramatically in size and diversity of data types. Through incorporation of multiple new datasets from depositors since the 2019 update, ChEMBL now contains slightly more bioactivity data from deposited data vs data extracted from literature. In collaboration with the EUbOPEN consortium, chemical probe data is now regularly deposited into ChEMBL. Release 27 made curated data available for compounds screened for potential anti-SARS-CoV-2 activity from several large-scale drug repurposing screens. In addition, new patent bioactivity data have been added to the latest ChEMBL releases, and various new features have been incorporated, including a Natural Product likeness score, updated flags for Natural Products, a new flag for Chemical Probes, and the initial annotation of the action type for ∼270 000 bioactivity measurements. https://lnkd.in/eRXv393J

In this publication from Shevchenko et al., they evaluated compensation beads from BioLegend and other companies as reference controls for 30 fluorophores in full spectrum cytometry. Learn how our beads stacked up against the competition: https://bit.ly/3y7W7TD

#Separations_MDPI #separation #EditorChoice Automated Screening and Filtering Scripts for GC×GC-TOFMS Metabolomics Data https://lnkd.in/gkvTYTAn University of Alberta #gaschromatography #metabolomics