The charge transfer effect of different meso-substituted linkages on porphyrin analogue 1 (A1, B1 and C1) was theoretically investigated using density functional theory (DFT) and time-dependent DFT (TDDFT) calculations. The calculated geometry parameters and natural bond orbital analysis reveal that the twisted conformation between porphyrin macrocycle and meso-substituted linkages leads to blo...

Quinones feature prominently as electron acceptors in nature. Their electron-transfer reactions are often highly exergonic, for which Marcus theory predicts reduced electron-transfer rates because of a free-energy barrier that occurs in the inverted region. However, the electron-transfer kinetics that involve quinones can appear barrierless. Here, we consider the intrinsic properties of the par...

Linkers that favor rectification of interfacial electron transfer are likely to be required for efficient photo-driven catalysis of multi-electron reactions at electrode surfaces. Design principles are discussed, together with the synthesis and characterization of a specific pair of molecular linkers, related by inversion of the direction of an amide bond in the heart of the molecule. The linke...

Two thioacetyl-terminated ferrocene-anthraquinone donor-acceptor molecules with different pi-electron conjugative units have been synthesized via a series of Stille and Sonagashira reactions. Their photochemical and electrochemical properties before and after addition of an organic acid are investigated, indicating that these complexes are sensitive to external perturbation of protonation, lead...

introduction: endodontic k-files are major tools for cleaning and shaping of the root canal systems. as there are various k-files available in iranian market, the physical properties of the five available brands were investigated to assist the clinician when selecting suitable endodontic k-files according to the intended application. materials and methods: physical properties (including debris ...

The crystal structure of cytochrome c3 from the sulfate-reducing bacteria Desulfovibrio desulfuricans, Norway strain, has been determined through the fitting of the recently completed primary structure to a 2.5 A resolution electron density map. The phase calculations were based on three mercurial derivatives; anomalous scattering data were used to refine the four heme iron positions. A prelimi...

The biologically and nanotechnologically important heme protein cytochrome b(562) was reconstructed with zinc and copper porphyrins, leading to significant changes in the spectral, redox and electron transfer properties. The Cu form shifts the redox potential by +300 mV and exhibits high electron transfer, while the Zn form is redox inert.

A molecular assembly based on derivatized polystyrene is described, which mimics both the light-harvesting and energy-conversion steps of photosynthesis. The system is unique in that the two key parts of a photosynthetic system are incorporated in a functional assembly constructed from polypyridine complexes of Ru(II). This system is truly artificial, as none of the components used in construct...

Complexes Yong-Min Lee,† Hiroaki Kotani,‡ Tomoyoshi Suenobu,‡ Wonwoo Nam,*,† and Shunichi Fukuzumi*,‡ Department of Chemistry, DiVision of Nano Sciences, Center for Biomimetic Systems, Ewha Womans UniVersity, Seoul 120-750, Korea, and Department of Material and Life Science, Graduate School of Engineering, Osaka UniVersity, SORST, Japan Science and Technology Agency (JST), Suita, Osaka 565-0871...