Predicting the influence of a p2-symmetric substrate on molecular self-organization with an interaction-site model

An interaction-site model can a priori predict molecular selforganisation on a new substrate in Monte Carlo simulations. This is experimentally confirmed with scanning tunnelling microscopy on Fre´chet dendrons of a pentacontane template. Local and global ordering motifs, inclusion molecules and a rotated unit cell are correctly predicted

The First Anticancer Tris(pyrazolyl)borate Molybdenum(IV) Complexes: Tested in Vitro and in Vivo—A Comparison of O,O ‐, S,O ‐, and N , N‐ Chelate Effects

The synthesis, characterization and biological activity of molybdenum(IV) complexes containing Trofimenko's scorpionato ligand, hydrotris(3‐isopropylpyrazolyl)borate (Tpi Pr), in addition to varying biologically active as well as other conventional ligands is described. Ligands employed include (O,O ‐) (S,O ‐) (N ,N ‐) donors that have been successfully coordinated to the molybdenum center by means of oxygen‐atom transfer (OAT) reactions from the known MoVI starting material, Tpi PrMoO2Cl. The synthesized complexes were characterized by standard analytical methods and where possible by X‐ray diffraction analysis. The aqueous stability of the compounds was studied by means of UV/Vis spectroscopy and the impact of the attached ligand scaffolds on the oxidation potentials (MoIV to MoV) was studied by cyclic voltammetry. Utilizing polyvinylpyrrolidone (PVP) as a solubilizing agent, adequate aqueous solubility for biological tests was obtained. Anticancer activity tests and preliminary mode of action studies have been performed in vitro and in vivo.© 2019 The Author