The IR Spectroscopy Market is projected to grow from USD 1.24B in 2024 to USD 2.01B by 2032, at a CAGR of 6.3%.
Major players: Jasco, Sartorius AG, Horiba, Bruker, Teledyne Princeton Instrument, Agilent Technologies.
Applications include pharmaceuticals, food safety, chemicals, and environmental monitoring.
Full market report: https://www.credenceresearch.com/report/ir-spectroscopy-market
#IRSpectroscopy #MarketGrowth #AnalyticalTechnology #Pharma #FoodSafety #EnvironmentalMonitoring
New publication from @KIT_Karlsruhe and the NFDI4Cat community!
CaRIn – a new browser-based tool for comparing experimental and DFT-based IR spectra in catalysis – is now live and FAIR-ready.
📄 Paper: A Combined Infrared Spectroscopy Database and Analysis Tool
Read the full paper in Chemie Ingenieur Technik
🔗 https://doi.org/10.1002/cite.202400150
#KIT #Catalysis #FAIRdata #IRspectroscopy #NFDI4Cat #OpenScience #RDM
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Really excited for more and more mergers of #IRspectroscopy and #massspectrometry! These experiments will pave the way for new #StructureElucidation technologies. Excited to give this paper a read!
https://chemrxiv.org/engage/chemrxiv/article-details/6357bbbdaa2784114c4ba1a2
The identification of biotransformation products of drug compounds is a crucial step in drug development. Over the last decades, liquid chromatography-mass spectrometry (LC-MS) has become the method of choice for metabolite profiling because of its high sensitivity and selectivity. However, determining the full molecular structure of the detected metabolites, including the exact biotransformation site, remains challenging on the basis of MS alone. Here we explore infrared ion spectroscopy (IRIS) as a novel MS-based method for the elucidation of metabolic pathways in drug metabolism research. Using the drug midazolam as an example, we identify several biotransformation products directly from an in vitro drug incubation sample. We show that IR spectra of the aglycone MS/MS fragment ions of glucuronide metabolites establish a direct link between detected phase I and phase II metabolites. Moreover, using quantum-chemically computed IR spectra of candidate structures, we are able to assign the exact sites of biotransformation in absence of reference standards. Additionally, we demonstrate the utility of IRIS for structural elucidation by identifying several ring-opened midazolam derivatives formed in an acidic environment.
Still learning... This is a bit redundant, but my #introduction is what I am passionate about:
#JuliaLang #chemometrics #rstats #NIRspectroscopy #IRspectroscopy #pedometrics
#MachineLearning #soilcarbon #soilscience #datascience
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