The work deals with optical and structural properties of aluminophosphate glasses from Li2O-BaO-Al2O3-La 2O3-P2O5 system containing Sm 3 + and Eu3 + ions. X-ray fluorescence (XRF) has been used to establish the elemental composition of these materials. The influence of Sm3 + and Eu3 + ions on the optical properties of these glasses has been investigated in relation with their structural characteristics. The optical behavior of these materials has been studied by ultra-violet-visible (UV-Vis) spectroscopy, revealing absorption maxima specific to the doping ions. Structural information via vibration modes was provided by Fourier Transform Infrared (FTIR) absorption spectra evidenced as POP symmetrical and asymmetrical stretching vibration modes, POP bend, PO 2- symmetrical and asymmetrical stretching vibration modes, PO stretching vibration mode and POH water absorbance. Raman spectra acquired by 514.5 nm laser excitation disclosed peaks specific to metaphosphate network. Information about the elemental compositional homogeneity of Sm 3 + and Eu3 +-containing glasses as well as about the defects of the doped-glasses is revealed by scanning electron microscopy/energy dispersive spectrometry (SEM/EDS). Fluorescence spectroscopy measurements put in evidence important fluorescence peaks found at 596 nm and 643 nm for Sm 3 + ions in phosphate matrix and 611 nm and 700 nm in the case of Eu3 +-doped glass. © 2013 Elsevier B.V.

The present work investigates alumino-phosphate glasses from Li 2O-BaO-Al2O3-La2O3-P 2O5 system containing Sm3+ and Eu3+ ions, prepared by two different ways: a wet raw materials mixing route followed by evaporation and melt-quenching, and by remelting of shards. The linear thermal expansion coefficient measured by dilatometry is identical for both rare-earth-doped phosphate glasses. Comparatively to undoped phosphate glass the linear thermal expansion coefficient increases with 2 × 10-7 K-1 when dopants are added. The characteristic temperatures very slowly decrease but can be considered constant with atomic weight, atomic number and f electrons number of the doping ions in the case of Tg (vitreous transition temperature) and Tsr (high annealing temperature) but slowly increase in the case of Tir (low annealing temperature-strain point) and very slowly increase, being practically constant in the case of TD (dilatometric softening temperature). Comparatively to undoped phosphate glass the characteristic temperatures of Sm and Eu-doped glasses present lower values. The higher values of electrical conductance for both doped glasses, comparatively to usual soda-lime-silicate glass, indicate a slightly reduced stability against water. The viscosity measurements, showed a quasi-linear variation with temperature the mean square deviation (R 2) being ranged between 0.872% and 0.996%. The viscosity of doped glasses comparatively to the undoped one is lower at the same temperature. Thermogravimetric analysis did not show notable mass change for any of doped samples. DSC curves for both rare-earth-doped phosphate glasses, as bulk and powdered samples, showed Tg values in the range 435-450 C. Bulk samples exhibited a very weak exothermic peak at about 685 C, while powdered samples showed two weak exothermic peaks at about 555 C and 685 C due to devitrification of the glasses. Using designed melting and annealing programs, the doped glasses were improved regarding bubbles and cords content and strain elimination. © 2013 Elsevier B.V. All rights reserved.

This paper proposes a new optimization methodology for supply chain design, using ant colony optimization. The objective of this methodology is to choose the facilities that will take part in a multi-product closed-loop supply chain, such as factories, warehouses and disassembly centers, in order to minimize the costs related to these facilities and those related to transportation costs, both in the forward and reverse chains. Considering that total production quantities for factories, expected cross-docking stocks for warehouses, and disassembly centers are determined by this methodology, it can be considered that it undertakes both strategic and tactical Supply Chain Management (SCM) problems at once. The developed algorithm, SCant-Design, is sufficiently general to solve any SCM configuration, with linear and nonlinear cost functions and constraints. The algorithm results were compared to a MILP approach for a particular case study and the obtained value for the cost function is very similar, although using less facilities.

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Since the 1980’s, several buildings throughout the world have been subject to gas explosions, impact by cars or airplanes, or car bomb attacks. In many cases the effect of the impact or explosion has been the failure of a critical structural member at the perimeter of the building. After the failure, the load supported by that member could not be redistributed and part or all of the structure has collapsed in a progressive manner. The phenomenon that occurs when local failure is not confined to the area of initial distress, and spreads horizontally and/or vertically through the structure, is termed progressive collapse.

Progressive collapse is a relatively rare event, as it requires both an accidental action to cause local damage and a structure that lacks adequate continuity, ductility, and redundancy to prevent the spread of damage. It is technically very difficult and economically prohibitive to design buildings for absolute safety. However it is possible to construct precast concrete buildings that afford an acceptable degree of safety with regard to accidental actions.

A structure is normally designed to respond properly, without damage, under normal load conditions, but local and/or global damages cannot be avoided under the effect of an unexpected, but moderate degree of accidental overload. Properly designed and constructed structures usually possess reasonable probability not to collapse catastrophically under such loads, depending on different factors, for example: the type of loading; the degree and the location of accidental loading in regard to the structure and its structural members; the type of structural system, the construction technology, and the spans between structural vertical members, etc.

No structure can be expected to be totally resistant to actions arising from an unexpected and extreme cause, but it should not be damaged to an extent that is disproportionate to the original cause.

The aim of fib Bulletin 63 is to summarize the present knowledge on the subject and to provide guidance for the design of precast structures against progressive collapse. This is addressed in terms of (a) the classification of the actions, (b) their effect on the structural types, (c) the strategies to cope with such actions, (d) the design methods and (e) some typical detailing, all supplemented with illustrations from around the world, and some model calculations.

The close structural similarity between the two cyclooxygenase (COXs) isoforms and the absence of selective inhibitors without side effects continues to stimulate the development of novel approaches towards selective anti-inflammatory drugs. In the present study a small library of new indolic compounds involving two different substitutions patterns at the indole scaffold was synthesized. In order to establish a relation between the spatial distribution of known functional groups related with inhibitory activity, two substitution patterns were explored: one with substituents at N-1, C-3, C-5 positions and another at C-2, C-3 and C5 positions. Accordingly, indole positions C-5, C-3 and N-1 were substituted with: sulfonamide or methylsulfone at C-5, p-halo-benzyl group at C-3, and an alkyl chain with a trifluoromethyl group at N-1. Alternatively, a p-halo-benzyl group was introduced at C-2, leaving the indolic nitrogen free. Inhibitory studies were performed and the activity results obtained against both COXs isoforms were rationalized based on docking and NMR studies. Docking studies show that dialkyation at C-2 and C-3 favors a binding with an orientation similar to that of the known selective inhibitor SC-558. From the tested compounds, this substitution pattern is correlated with the highest inhibitory activity and selectivity: 70% COX-2 inhibition at 50 M, and low COX-1 inhibition (18±9%). Additionally, Saturation Transfer Difference NMR experiments reveal different interaction patterns with both COXs isoforms that may be related with different orientations of the sulfonamide group in the binding pocket. Despite the moderated inhibitory activities found, this study represents an innovative approach towards COXs inhibitory activity rationalization and to the design of anti-inflammatory drugs.

This paper describes for the first time the intimate molecular details of the association between a platinated oligonucleotide and a zinc-finger peptide. Site-specific platination of the guanine in a ss hexanucleotide gave {[Pt(dien)d(5’-TACGCC-3’)], Pt(dien)(6-mer)}, II, characterized by mass spectrometry and 1H-NMR spectroscopy. The work extends the study of platinum-nucleobase complex-zinc finger interactions using small molecules such as [Pt(dien)(9-EtGua)]2+, I . The structure of the (34-52) C-terminal finger of the HIV nucleocapsid protein HIVNCp7 (ZF1) was characterized by 1H-NMR spectroscopy and compared with that of the N-terminal single finger and the 2-finger “intact” NCp7. Interaction of II with ZF1 results in significant changes in comparison to the “free” uncomplexed hexanucleotide – the major shifts occur for Trp37 resonances are broadened and shifted upfield and other major shifts are for Gln45 (H21, H3, Q), Met46 (NH, H2), Lys47 (NH, Q) and Glu50 (H2, H3). The Zn-Cys/His chemical shifts show only marginal deviations. The solution structure of ZF1, the 6-mer/ZF1 and II/ZF1 adducts were calculated from the NOESY-derived distance constraints. The DNA position in II/ZF1 is completely different than in the absence of platinum. Major differences are the appearance of new Met46-Cyt6H5 and Trp37-Cyt5H5 contacts but severe weakening of the Trp37-Gua4 contact, attributed to the steric effects caused by Gua4 platination, accompanied by a change in the position of the aromatic ring. The results demonstrate the feasibility of targetting specific ZF motifs with DNA-tethered coordination compounds, such as Pt compounds and Co-macrocycles – with implications for drug targetting and indeed the intimate mechansims of DNA repair of platinated DNA.

The basal part of the Triassic-Jurassic (Rhaetian-Sinemurian) Kap Stewart Formation, exposed at Jameson Land, East Greenland, yields an extensive coprolite collection from black, parallel-laminated mudstone (“paper shale”), representing an open lacustrine system. Preliminary investigations show three different types of coprolites: elongated cylindrical masses, composed of irregularly wrapped layers; elongated cylindrical masses with constriction marks; and spirally-coiled specimens.