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Research into the corrosion behavior of a copper substrate with a graphene coating synthesized using the CVD method has been performed. The influence of various copper substrates with varying substrate thickness, time of high-temperature annealing and duration of graphene synthesis was investigated. Different synthesis durations allowed studying the corrosive current on the copper surface: (a) not fully covered with graphene, (b) completely covered with single-layer graphene and (c) when there are areas with several graphene layers on the surface. Electrochemical corrosion in saline solution was realized at high and low potentials of the working electrode, which enabled assessment of the limiting factors of corrosion. At a low potential, the mass of corrosion products decreased by an order of magnitude. A hypothesis explaining the formation of deep corrosion pits of rectangular shape was proposed. The energy-dispersive X-ray analysis (EDAX) demonstrated that with a high potential of the working electrode, an essentially heterogeneous distribution of carbon and copper is realized (compared with a lower potential of the electrode). With the duration of graphene synthesis from 0 to 10 min, the corrosion current decreases almost 10 times. With a further increase in the duration of synthesis, the corrosion current drops slightly. The performed MD simulation on wettability corresponds to the experimental data. The obtained results may be useful for the development of the technology of defect-free graphene-based sensors that are less sensitive to corrosion.

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

The reaction between Cat2[B10H10] (Cat = Pr4N+, Ph4P+ and Ph4As+) and AgNO3 in acetonitrile afforded solids {Cat[Ag[B10H10]]}n (1 ­– 3, respectively) which have been isolated and characterized by IR spectroscopy and X-ray diffraction. According to the X-ray diffraction data obtained, these compounds are 1D coordination polymers built of alternating silver atoms and closo -decaborate anions. The chains are packed parallel and separated by cations Cat. The closo -decaborate anion is coordinated by the silver atom via two equatorial BBB faces (in 1) and through an equatorial face and an equatorial edge of the boron cage anion (in 2). These types of coordination have not been previously observed in the polymeric anionic silver(I) compounds with the boron clusters. In compound 3, the boron cluster anion is disordered over four positions and the type of coordination cannot be determined unambiguously.

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

The human N-glycosylases SMUG1 and MBD4 catalyze the removal of uracil residues from DNA resulting from cytosine deamination or replication errors. For polymorphic variants of SMUG1 (G90C, P240H, N244S, N248Y) and the MBD4^(cat) catalytic domain (S470L, G507S, R512W, H557D), the structures of enzyme-substrate complexes were obtained by molecular dynamic simulation. It was experimentally found that the SNP variants of SMUG1, N244S and N248Y, had increased catalytic activity compared to the wild-type enzyme, probably due to the acceleration of the dissociation of the enzyme-product complex and an increase in the enzyme turnover rate. All other SNP variants of SMUG1 (G90C, P240H) and MBD4^(cat), in which amino acid substitutions disrupted the substrate binding region and/or active site, had significantly lower catalytic activity than the wild-type enzymes.

This study is focused on the structure, bonding, and reactivity analysis of the derivatives of closo-borate anions [BnHn-1COR]2– (n=6,10,12; R= H, CH3, NH2, OH, OCH3). The phenomena of B–C bonding interactions in the [BnHn-1COR]2– (n=6,10,12; R= H, CH3, NH2, OH, OCH3) have been theoretically studied by using the Quantum Theory of Atoms in Molecules. Several local and integral topological properties of the electron density involved in these interactions have been computed. Also, different chemical reactivity descriptors have been calculated via conceptual density functional theory.

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.