Personalised information spaces for chemical digital libraries

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Knowledge Annotation within Research Data Management System for Oxygen-Free Production Technologies

The comprehensive implementation of digital technologies in product manufacturing leads to changes in engineering processes and requires new approaches to data management. An important role belongs to the processes of organizing the collection, storage and reuse of research data obtained and used in the process of product, system or technology development, taking into account the FAIR data principles. This article describes a Research Data Management System for the organization of documentation and measurement requests in the research and development of new oxygen-free production technologies

Synthesis and DNA binding properties of novel benzo[b]isoquino[2,3-h]-naphthyridines

Several benzo[b]isoquino[2,3-h]-naphthyridines have been prepared via formal hetero-Diels Alder reaction of N-aryl imines as a key step. These compounds have different side chains at C-11, and a cis or trans configuration at the C-8a,C-14a ring junction. Binding constants for the interaction with oligonucleotides and polynucleotides were determined by UV absorption and melting experiments. NMR experiments (NOE) revealed that the cis isomers, showing a slightly folded structure, preferentially bind to the minor groove of AT-rich oligomers. In contrast, the trans isomers prefer the CG-rich sequences, leading to cap-complexes with the isoquinoline moiety stacked at the top of the double helix, in agreement with the flatter shape, and with a preference for the 3'-terminals, as found for camptothecins. Models of the complexes were built up by molecular dynamics (MD) calculations, by using the inter-proton distances derived from the NOE values. Cytotoxicity assays against human Ewing sarcoma cell lines RD-ES and CAD-ES1 were performed