We report the synthesis and comprehensive characterization of a series (oligo)thiophene-bridged (bis)phenanthroline ligands. The complexation behavior ditopic ligands with Cu(I) was explored by high-resolution ESI mass spectrometry, UV-vis spectroscopy, electrochemistry. Whereas ligands, in which phenanthrolines are bridged smaller (oligo)thiophene units, provided mainly mononuclear complexes, ...

The binuclear homoleptic rhodium carbonyls Rh2(CO)n (n = 8, 7, 6, 5) have been examined theoretically. Three energetically low-lying equilibrium structures of Rh2(CO)8 were found, i.e., one doubly bridged C2v singlet structure and two unbridged singlet structures with D(3d) and D(2d) symmetry. The doubly bridged structure is the global minimum predicted to lie 3.4 kcal/mol below the D(2d) struc...

In order to systematically analyze the effects of nucleoside modification of sugar moieties in DNA polymerase reactions, we synthesized 16 modified templates containing 2',4'-bridged nucleotides and three types of 2',4'-bridged nucleoside-5'-triphospates with different bridging structures. Among the five types of thermostable DNA polymerases used, Taq, Phusion HF, Vent(exo-), KOD Dash and KOD(e...

Most restriction endonucleases bridge two target sites before cleaving DNA: examples include all of the translocating Type I and Type III systems, and many Type II nucleases acting at their sites. A subset of Type II enzymes, the IIB systems, recognise bipartite sequences, like Type I sites, but cut specified phosphodiester bonds near their sites, like Type IIS enzymes. However, they make two d...

N-Heterocyclic carbenes (NHCs) promote the transfer hydrogenation of various activated C=C, C=N, and N=N bonds with water as the proton source. The NHCs act as reducing reagents to be converted into their oxides. A detailed reaction mechanism is proposed on the basis of deuterium-labeling experiments.

The unprecedented applications of two-dimensional (2D) atomic sheets in spintronics are formidably hindered by the lack of ordered spin structures. Here we present first-principles calculations demonstrating that the recently synthesized dimethylmethylene-bridged triphenylamine (DTPA) porous sheet is a ferromagnetic half-metal and that the size of the band gap in the semiconducting channel is r...

Lithium(I) and uranium(VI) amido-tethered Bu(t)-substituted N-heterocyclic carbene (NHC) complexes exhibit very distorted metal-carbene bonds; the corresponding magnesium(II) and mesityl-substituted NHC uranium(VI) complexes are undistorted; the distortion does not affect the ligand binding strength, suggesting a dominance of electrostatic character in closed-shell electropositive metal-carbene...

N-Heterocyclic carbenes (NHCs) have emerged as a powerful class of organocatalysts that mediate a variety of organic transformations. The Benzoin reaction constitutes one of the earliest known carbon-carbon bond-forming reactions catalysed by NHCs. The rapid growth of NHC catalysis in general has resulted in the development of a variety of benzoin and benzoin-type reactions. An overview of such...

A series of heterocyclic quinones based on benzofuran, benzothiophene, indazole and benzisoxazole has been synthesized, and evaluated for their ability to function as substrates for recombinant human NAD(P)H:quinone oxidoreductase (NQO1), a two-electron reductase upregulated in tumor cells. Overall, the quinones are excellent substrates for NQO1, approaching the reduction rates observed for men...