{Zinc alkyl cations supported by N,N-BIAN-type bidentate ligands were found to be highly active in the immortal ROP of epsilon-caprolactone to yield narrowly disperse and chain length-controlled poly(epsilon-caprolactone), whether in solution or bulk polymerization conditions.}

{{A series of Ar-BIAN-based copper(I) complexes (where Ar-BIAN = bis(aryl) acenaphthenequinonediimine) were synthesised and characterised by H-1 and C-13 NMR spectroscopies, FT-IR spectroscopy, MALDI-TOF-MS spectrometry, cyclic voltammetry and single crystal X-ray diffraction. The bis-chelated complexes of general formula {[}Cu(Ar-BIAN)(2)]BF4 (where Ar = C6H5 (1), 4-iPrC(6)H(4) (3), 2-iPrC(6)H(4) (4)) were prepared by reaction of {[}Cu(NCMe)(4)]BF4 with two equivalents of the corresponding Ar-BIAN ligands, in dichloromethane, while the mono-chelated complexes of the type {[}Cu(Ar-BIAN)L2]BF4 (where Ar = 2,6-iPr(2)C(6)H(3)

Green and lean paradigms have been adopted by companies in order to manage their relationships with suppliers in a supply chain management context, but nearly always separately and with little understanding of their influence on company performance. This paper proposes a theoretical framework for the analysis of the influence of green and lean upstream supply chain management practices on the sustainable development of businesses. To attend this objective, a set of performance measures covering economic (operational cost, environmental cost, and inventory cost), environmental (business wastage, green image, and CO 2 emission), and social (corruption risk, supplier screening and local supplier) perspectives is proposed. An explanatory case study was conducted at a Portuguese automaker to test qualitatively the validity of the proposed theoretical framework. From the case study, a model is suggested, which encompasses the relationships between green and lean upstream supply chain practices and sustainable business development.

Barium zinc borosilicate glasses with a molar composition xBaO-(60-x)ZnO-30B 2O 3-10SiO 2, where x ranged from 0 to 60 mol%, were prepared using melt-quenching method. The effect of BaO substitution for ZnO on the sintering, crystallization, and dielectric characteristics has been investigated. The behavior of the studied barium zinc borosilicate glasses was mainly determined by the relative amount of the structural modifier oxides (BaO and ZnO) and the ionic size, and field strength of the modifying cations (Ba 2+, Zn 2+). Increased amounts of BaO decreased both glass transition temperature and crystallization temperature, while increasing the relative dielectric constant. Sintering occurred before crystallization for glasses where substitution of BaO for ZnO was up to 30 mol%, but for higher substitution levels, crystallization occurred during the sintering process hindering densification. © 2012 The American Ceramic Society.

Ferritins are ubiquitous and can be found in practically all organisms that utilize Fe. They are composed of 24 subunits forming a hollow sphere with an inner cavity of similar to 80 angstrom in diameter. The main function of ferritin is to oxidize the cytotoxic Fe2+ ions and store the oxidized Fe in the inner cavity. It has been established that the initial step of rapid oxidation of Fe2+ (ferroxidation) by H-type ferritins, found in vertebrates, occurs at a diiron binding center, termed the ferroxidase center. In bacterial ferritins, however, X-ray crystallographic evidence and amino acid sequence analysis revealed a trinuclear Fe binding center comprising a binuclear Fe binding center (sites A and B), homologous to the ferroxidase center of H-type ferritin, and an adjacent mononuclear Fe binding site (site C). In an effort to obtain further evidence supporting the presence of a trinuclear Fe binding center in bacterial ferritins and to gain information on the states of the iron bound to the trinuclear center, bacterial ferritin from Desulfovibrio vulgaris (DvFtn) and its E130A variant was loaded with substoichiometric amounts of Fe2+, and the products were characterized by Mossbauer and EPR spectroscopy. Four distinct Fe species were identified: a paramagnetic diferrous species, a diamagnetic diferrous species, a mixed valence Fe2+Fe3+ species, and a mononuclear Fe2+ species. The latter three species were detected in the wild-type DvFtn, while the paramagnetic diferrous species was detected in the E130A variant. These observations can be rationally explained by the presence of a trinuclear Fe binding center, and the four Fe species can be properly assigned to the three Fe binding sites. Further, our spectroscopic data suggest that (1) the fully occupied trinuclear center supports an all ferrous state, (2) sites B and C are bridged by a mu-OH group forming a diiron subcenter within the trinuclear center, and (3) this subcenter can afford both a mixed valence Fe2+Fe3+ state and a diferrous state. Mechanistic insights provided by these new findings are discussed and a minimal mechanistic scheme involving O-O bond cleavage is proposed.

The C 1s and N 1s photoelectron spectra of gas-phase 5-aminotetrazole (5ATZ) were recorded using synchrotron radiation, with the aim of evaluating 1H/2H tautomer population ratios. The core-electron binding energies (CEBEs) were estimated from computational results, using the delta self-consistent-field (ΔSCF) approach. Simulated spectra were generated using these CEBEs and the results from Gaussian-n (Gn, n=1, 2 and 3) and Complete Basis Set (CBS-4M and CBS-Q) methods. Results reveal the almost exclusive predominance of the 2H-tautomer, with a 1H/2H ratio of ca. 0.12/0.88, taken from a gross analysis of the XPS C 1s spectrum, recorded at 365 K.

Building energy management may simultaneously integrate multiple energy areas and sources of information. The coordination of synergies allow better-informed decisions, such as performing forecasts and adjustments of energy production and storage, while adapting electrical loads to off-peak times, when energy rates are lower. This work targets the improvement and optimization of energy management operations in buildings and large complexes, by introducing a conceptual model for supporting real-time advanced reasoning and inference towards efficient energy management.

A strict upper-bound limit analysis finite element formulation is used to estimate shape factors s_gamma and s_q for determining the bearing capacity of shallow foundations using the classic bearing capacity formula. The finite element formulation uses a quadratic approximation for the velocity field, an extension of a previously published Augmented Lagrangian formulation with a linear velocity field, and was implemented for a parallel processing environment. Results from determining the limit loads under three-dimensional conditions are presented and compared with previously published data. The results obtained allow a strict upper-bound determination of the shape factors. Furthermore, a practical proposal for these factors is made and compared with other proposals made by other authors.