{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["62(2)"],"submitter":["Giubertoni G"],"pubmed_abstract":["Inspired by ideas from NMR, we have developed Infrared Diffusion-Ordered Spectroscopy (IR-DOSY), which simultaneously characterizes molecular structure and size. We rely on the fact that the diffusion coefficient of a molecule is determined by its size through the Stokes-Einstein relation, and achieve sensitivity to the diffusion coefficient by creating a concentration gradient and tracking its equilibration in an IR-frequency resolved manner. Analogous to NMR-DOSY, a two-dimensional IR-DOSY spectrum has IR frequency along one axis and diffusion coefficient (or equivalently, size) along the other, so the chemical structure and the size of a compound are characterized simultaneously. In an IR-DOSY spectrum of a mixture, molecules with different sizes are nicely separated into distinct sets of IR peaks. Extending this idea to higher dimensions, we also perform 3D-IR-DOSY, in which we combine the conformation sensitivity of femtosecond multi-dimensional IR spectroscopy with size sensitivity."],"journal":["Angewandte Chemie (International ed. in English)"],"pagination":["e202213424"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC10107201"],"repository":["biostudies-literature"],"pubmed_title":["Infrared Diffusion-Ordered Spectroscopy Reveals Molecular Size and Structure."],"pmcid":["PMC10107201"],"pubmed_authors":["van Diest R","Caporaletti F","Rombouts G","Woutersen S","Deblais A","Giubertoni G","Bonn D","Reek JNH"],"additional_accession":[]},"is_claimable":false,"name":"Infrared Diffusion-Ordered Spectroscopy Reveals Molecular Size and Structure.","description":"Inspired by ideas from NMR, we have developed Infrared Diffusion-Ordered Spectroscopy (IR-DOSY), which simultaneously characterizes molecular structure and size. We rely on the fact that the diffusion coefficient of a molecule is determined by its size through the Stokes-Einstein relation, and achieve sensitivity to the diffusion coefficient by creating a concentration gradient and tracking its equilibration in an IR-frequency resolved manner. Analogous to NMR-DOSY, a two-dimensional IR-DOSY spectrum has IR frequency along one axis and diffusion coefficient (or equivalently, size) along the other, so the chemical structure and the size of a compound are characterized simultaneously. In an IR-DOSY spectrum of a mixture, molecules with different sizes are nicely separated into distinct sets of IR peaks. Extending this idea to higher dimensions, we also perform 3D-IR-DOSY, in which we combine the conformation sensitivity of femtosecond multi-dimensional IR spectroscopy with size sensitivity.","dates":{"release":"2023-01-01T00:00:00Z","publication":"2023 Jan","modification":"2025-04-06T11:21:31.366Z","creation":"2025-04-06T11:21:31.366Z"},"accession":"S-EPMC10107201","cross_references":{"pubmed":["36259515"],"doi":["10.1002/anie.202213424"]}}