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End date: 2024 × Start date: 2020 × End date: 2023 × Start date: 2020 × DDC: 540 × Type: Text × Version: publishedVersion × Subject: chemistry ×

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    The interaction of chondroitin sulfate with a lipid monolayer observed by using nonlinear vibrational spectroscopy
    (Cambridge : RSC Publ., 2021) Szekeres, Gergo Peter; Krekic, Szilvia; Miller, Rebecca L.; Mero, Mark; Pagel, Kevin; Heiner, Zsuzsanna
    The first vibrational sum-frequency generation (VSFG) spectra of chondroitin sulfate (CS) interacting with dipalmitoyl phosphatidylcholine (DPPC) at air–liquid interface are reported here, collected at a laser repetition rate of 100 kHz. By studying the VSFG spectra in the regions of 1050–1450 cm−1, 2750–3180 cm−1, and 3200–3825 cm−1, it was concluded that in the presence of Ca2+ ions, the head groups together with the head-group-bound water molecules in the DPPC monolayer are strongly influenced by the interaction with CS, while the organization of the phospholipid tails remains mostly unchanged. The interactions were observed at a CS concentration below 200 nM, which exemplifies the potential of VSFG in studying biomolecular interactions at low physiological concentrations. The VSFG spectra recorded in the O–H stretching region at chiral polarization combination imply that CS molecules are organized into ordered macromolecular superstructures with a chiral secondary structure.
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    NFDI4Chem - Deliverable D3.3.1: Gap analysis report for selected repositories
    (Genève : CERN, 2023) Bach, Felix; Binder, Kunigunde; Christian Bonatto, Minella; Lutz, Benjamin; Razum, Matthias
    The deliverable 3.3.1 “Gap analysis report for selected repositories” aims both to identify gaps in the coverage regarding data types or disciplines and to close them through adjustments or, if necessary, new developments. In order to accomplish that, the TA3-team performed a gap analysis of the existing relevant repositories by means of individual interviews with the repository leaders. The interview consisted of a series of questions ranging from general information up to metadata standards and ontology, data contents, technical information about Authorisation and Authentication Infrastructure (AAI), API, services and functionality, operating environment as well as software architecture and workflows. The interviews will serve to establish the current degree of maturity as well as the operational fitness of the selected repositories and to derive suitable recommendations aiming to fulfil the yet missing requirements.