MagSaki software was developed for the magnetic analysis of dinuclear high-spin cobalt(II) complexes. This software performs magnetic analysis to determine magnetic parameters using several types of theoretical calculations, such as the following: (1) a mononuclear complex in an isotropic octahedral field, (2) a mononuclear complex in an axially distorted octahedral field, (3) a dinuclear compl...

The preparation and spectroscopic characterization of a CO-inhibited [FeFe] hydrogenase with a selectively (57)Fe-labeled binuclear subsite is described. The precursor [(57)Fe2(adt)(CN)2(CO)4](2-) was synthesized from the (57)Fe metal, S8, CO, (NEt4)CN, NH4Cl, and CH2O. (Et4N)2[(57)Fe2(adt)(CN)2(CO)4] was then used for the maturation of the [FeFe] hydrogenase HydA1 from Chlamydomonas reinhardti...

Activities of titanite (Ttn, CaTiSiO5) and ⁄or rutile (Rt, TiO2) phase components were calculated for 45 well-characterized natural titaniteor rutile-undersaturated epidote–amphibolites by using the equilibria: (i) 3 anorthite + 2 zoisite ⁄ clinozoisite + rutile + quartz = 3 anorthite + titanite + water (referred to as TZARS) and (ii) anorthite + 2 titanite = grossular + 2 rutile + quartz (refe...

Novel Ca-Si-Ti-based sphene (CaTiSiO5) ceramics possess excellent chemical stability and cytocompatibility. The aim of this study was to prepare sphene coating on titanium alloy (Ti-6Al-4V) for orthopaedic applications using the plasma spray method. The phase composition, surface and interface microstructure, coating thickness, surface roughness and bonding strength of the plasma-sprayed sphene...

Long-lived goal reasoning systems that reason over their history confront the bounding problem–the impracticality of reasoning over a large, ever-growing experience-base. This is a problem with some explanation systems that use the history of their observations to inform beliefs about the current state of the world. We propose to apply narrative intelligence (NI), which includes the ability to ...

With the continued exploitation and utilization of high-grade rare earth ores, it is increasingly important to extract earths from separated slag containing low-grade earth. The X-ray powder diffraction, scanning electron microscopy, probe micro-analyzer confocal laser microscopy were used explore influence TiO2 cooling rate on crystallization CaO-SiO2-TiO2-10 wt% P2O5-8 Nb2O5-5 CeO2-5 CaF2 sys...

This paper describes a study of excited-state properties of naphthalimide (NI) and four 4-substituted derivatives: 4-chloronaphthalimide (Cl-NI), 4-methylthionaphthalimide (MeS-NI), 4-nitronaphthalimide (O(2)N-NI), and 4-(N,N-dimethylaminonaphthalimide (Me(2)N-NI). Steady-state absorption and fluorescence spectra were collected in solvents of varying polarity to determine the excited-state char...

The beneficial role of marcasite in iron-sulfide-based photo-electrochemical applications is reported for the first time. A spectacular improvement of the photoresponse observed experimentally for mixed pyrite/marcasite-FeS2 films can be ascribed to the presence of p/m phase junctions at the interface. Density functional theory calculations show that the band alignment at the phase boundary con...