Study of Triple System Calcium Iodide-HMTA-Water

Research relevance: synthesis, physicochemical studies of complexes bioactivity with salts of biometals and organic ligands are of great interest for bio-coordination chemistry. Materials and research methods: isothermal method was used to study heterogeneous equilibria at 25 °C. The concentration limits of compounds existence and the types of their solubility have been established. Research objectives: to investigate compounds of hexamethylenetetramine with salts of biometals with organic ligands in order to reduce toxicity, increase the bioactivity and bioavailability of coordination compounds. Research results: concentration limits of compounds existence and types of their solubility have been established. Conclusions: in obtained complexes, HMTA ligand contains four equivalent electron donor nitrogen atoms.

Structural Determination of a DNA Oligomer for a Molecular Spin Qubit Lloyd Model of Quantum Computers

The global molecular and local spin-site structures of a DNA duplex 22-oligomer with site-directed four spin-labeling were simulated by molecular mechanics (MM) calculations combined with Q-band pulsed electron-electron double resonance (PELDOR) spectroscopy. This molecular-spin bearing DNA oligomer is designed to give a complex testing ground for the structural determination of molecular spins incorporated in the DNA duplex, which serves as a platform for 1D periodic arrays of two or three non-equivalent electron spin qubit systems, (AB)n or (ABC)n, respectively, enabling to execute quantum computing or quantum information processing (Lloyd model of electron spin versions): A, B and C designate non-equivalent addressable spin qubits for quantum operations. The non-equivalence originates in difference in the electronic