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In the memory of Prof. Ing. Ladislav Valko, DrSc. (1930–2013) A room-temperature synthesis of copper(II) 2-pyridylmethanolate tetrahydrate, [CuL2] · 4H2O, with nearly quantitative yields with its structure redetermined at 213 K is presented. In agreement with the X-ray structure data, the DFT quantum-chemical calculations confirmed the planar structure of CuL2 (C 2h symmetry). The measured IR and Raman spectra were interpreted using the DFT calculations and some erroneous assignments in the previous studies have been corrected.

This article presents the design and preparation of a single‐chain variable fragment (scFv) of an antibody comprising an auxiliary polypeptide segment that is rich in tyrosine. This protein shows a higher capacity to bind iodine radionuclide, as compared with the parental scFv. The tyrosine‐rich segment of the tailored protein is less hydrophobic (i.e. more solvent exposed) and can thus contribute to a redirection of the label from potentially sensitive scFv tyrosine residues.

A strategy for the design of new yttrium(III) tags consisting of sequences of naturally occurring amino acids is described. These tags are 4-6 amino acids in length and consist of aspartic and glutamic acids. The use of natural amino acids would allow these oligopeptides to be incorporated into recombinant proteins at the DNA level, enabling the protein to be Y(III)-labelled after protein isolation. This allows a radionuclide or heavy atom to be associated with the protein without the necessity of further synthetic modifi cation. Suitable peptides able to chelate Y(III) in stable complexes were designed based on quantum-chemical calculations. The stability of complexes formed by these peptides was tested by isothermal titration calorimetry, giving dissociation constants in the micromolar range. The likely structure of the most tightly bound complex was inferred from a combination of NMR experiments and quantum-chemical calculations. This structure will serve as the basis for future optimizations.

Key indicatorsSingle-crystal X-ray study T = 294 K Mean (C-C) = 0.002 Å R factor = 0.035 wR factor = 0.077 Data-to-parameter ratio = 32.5For details of how these key indicators were automatically derived from the article, see