{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,8]],"date-time":"2026-01-08T21:42:43Z","timestamp":1767908563635,"version":"3.49.0"},"reference-count":52,"publisher":"AIP Publishing","issue":"14","funder":[{"DOI":"10.13039\/501100001659","name":"Deutsche Forschungsgemeinschaft","doi-asserted-by":"publisher","award":["EXC 2008\/1-390540038"],"award-info":[{"award-number":["EXC 2008\/1-390540038"]}],"id":[{"id":"10.13039\/501100001659","id-type":"DOI","asserted-by":"publisher"}]},{"name":"EFRE-InfraFEI Brandenburg","award":["85045645"],"award-info":[{"award-number":["85045645"]}]},{"name":"EFRE-StaF Brandenburg","award":["85037875"],"award-info":[{"award-number":["85037875"]}]}],"content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2023,4,14]]},"abstract":"<jats:p>Carbohydrates constitute one of the four key classes of biomacromolecules but have not been studied by 2D-IR spectroscopy so far. Similarly as for proteins, a lack of native vibrational reporter groups, combined with their huge structural diversity, leads to spectrally congested infrared spectra already for single carbohydrates. Biophysical studies are further impeded by the strong overlap between water modes and carbohydrate modes. Here, we demonstrate the application of the known vibrational reporter group thiocyanate (SCN) as a label in glucose. In this first study, we are able to perform IR and 2D-IR spectroscopy of \u03b2-glucose with SCN at the C2 position in chloroform. Upon improved synthesis and the removal of all protecting groups, we successfully performed 2D-IR spectroscopy of \u03b2-glucose in H2O. All experimental results are compared to those of methyl-thiocyanate as a reference sample. Overall, we show that the concept of using site-specific vibrational reporter groups can be transferred to carbohydrates. Thus, biophysical studies with 2D-IR spectroscopy can now expand to glycoscience.<\/jats:p>","DOI":"10.1063\/5.0139166","type":"journal-article","created":{"date-parts":[[2023,3,7]],"date-time":"2023-03-07T15:52:01Z","timestamp":1678204321000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":9,"title":["2D-IR spectroscopy of carbohydrates: Characterization of thiocyanate-labeled <i>\u03b2<\/i>-glucose in CHCl3 and H2O"],"prefix":"10.1063","volume":"158","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-5143-0671","authenticated-orcid":false,"given":"P.","family":"Gasse","sequence":"first","affiliation":[{"name":"Institute of Chemistry, Physical Chemistry, University of Potsdam 1 , Karl-Liebknecht-Str. 24-25, 14476 Potsdam, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2317-4874","authenticated-orcid":false,"given":"T.","family":"Stensitzki","sequence":"additional","affiliation":[{"name":"Institute of Chemistry, Physical Chemistry, University of Potsdam 1 , Karl-Liebknecht-Str. 24-25, 14476 Potsdam, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1101-9378","authenticated-orcid":false,"given":"Y.","family":"Mai-Linde","sequence":"additional","affiliation":[{"name":"Institute of Chemistry, Organic Chemistry, University of Potsdam 2 , Karl-Liebknecht-Str. 24-25, 14476 Potsdam, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3576-7426","authenticated-orcid":false,"given":"T.","family":"Linker","sequence":"additional","affiliation":[{"name":"Institute of Chemistry, Organic Chemistry, University of Potsdam 2 , Karl-Liebknecht-Str. 24-25, 14476 Potsdam, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9471-882X","authenticated-orcid":false,"given":"H. M.","family":"M\u00fcller-Werkmeister","sequence":"additional","affiliation":[{"name":"Institute of Chemistry, Physical Chemistry, University of Potsdam 1 , Karl-Liebknecht-Str. 24-25, 14476 Potsdam, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"317","published-online":{"date-parts":[[2023,4,12]]},"reference":[{"key":"2023081023423662900_c1","doi-asserted-by":"publisher","first-page":"1771","DOI":"10.1021\/acs.jpcb.7b11370","article-title":"Two-dimensional spectroscopy is being used to address core scientific questions in biology and materials science","volume":"122","year":"2018","journal-title":"J. Phys. Chem. 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Instrum."},{"key":"2023081023423662900_c41","doi-asserted-by":"publisher","first-page":"748","DOI":"10.1039\/b813817f","article-title":"How to turn your pump\u2013probe instrument into a multidimensional spectrometer: 2D IR and vis spectroscopiesvia pulse shaping","volume":"11","year":"2009","journal-title":"Phys. Chem. Chem. Phys."},{"key":"2023081023423662900_c42","unstructured":"T.\n            Stensitzki\n          , \u201cSkultrafast\u2014A Python package for time-resolved spectroscopy,\u201d https:\/\/github.com\/tillsten\/skultrafast, 2021."},{"key":"2023081023423662900_c43","doi-asserted-by":"publisher","first-page":"5463","DOI":"10.1039\/c9cp06808b","article-title":"Exploring the 2D-IR repertoire of the \u2013SCN label to study site-resolved dynamics and solvation in the calcium sensor protein calmodulin","volume":"22","year":"2020","journal-title":"Phys. Chem. Chem. 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Lett."},{"key":"2023081023423662900_c50","doi-asserted-by":"publisher","first-page":"5979","DOI":"10.1021\/acs.jpca.0c04313","article-title":"CLS next gen: Accurate frequency\u2013frequency correlation functions from center line slope analysis of 2D correlation spectra using artificial neural networks","volume":"124","year":"2020","journal-title":"J. Phys. Chem. A"},{"key":"2023081023423662900_c51","doi-asserted-by":"publisher","first-page":"7628","DOI":"10.1021\/acs.jpcb.9b06038","article-title":"Dynamics of water molecules and ions in concentrated lithium chloride solutions probed with ultrafast 2D IR spectroscopy","volume":"123","year":"2019","journal-title":"J. Phys. Chem. B"},{"key":"2023081023423662900_c52","doi-asserted-by":"publisher","first-page":"074502","DOI":"10.1063\/1.3625278","article-title":"Extracting 2D IR frequency-frequency correlation functions from two component systems","volume":"135","year":"2011","journal-title":"J. Chem. 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