In-die evaluation of capping tendency of pharmaceutical tablets using force-displacement curve and stress relaxation parameter

A novel in-die evaluation method of tablet capping tendency was proposed based on a force-displacement curve and stress relaxation parameter in a tableting process. In our previous study (Chem. Pharm. Bull., 59, 2011, Nakamura et al.), the phase diagram consisting of elastic recovery energy (E(e)) and plastic deformation energy (E(p)) of compressed powder, named as the E(e)-E(p) diagram, was proposed. However, it was found that capping tendency of tablets prepared by double-compression with multi-component powder formulations cannot be discriminated using the E(e)-E(p) diagram. To improve the capping discrimination ability, we here proposed a novel corrected phase diagram consisting of the E(e) and an interparticle bonding parameter E(b)(t), named as the E(e)-E(b)(t) diagram. The E(b)(t) was proposed as a new parameter expressing strength of the interparticle bonding formed by the stress relaxation inside compressed powder. The E(b)(t) was defined as a product of the E(p) and the stress relaxation parameter Y(t), estimated from the force-displacement curve and the stress relaxation test. The capping discrimination ability of the diagrams was evaluated using a hierarchical-clustering analysis. The results exhibited that the capping tendency could be clearly discriminated using the proposed E(e)-E(b)(t) diagram at the double-compression and the multi-component powder formulations, as compared to the E(e)-E(p) diagram. This proposed diagram can be used for screening of the powder formulations to avoid the capping.     

Ir3Co6 and Co3Fe3 dithiolene cluster complexes: multiple metal-metal bond formation and correlation between structure and internuclear electronic communication

π-Conjugated trinuclear iridium and cobalt dithiolenes undergo multiple metal-metal bond formation with Co(2)(CO)(8) and Fe(CO)(5), giving rise to Ir(3)Co(6) nonanuclear and Co(3)Fe(3) hexanuclear cluster complexes 5 and 6, respectively. 5 retains a planar framework and intense π conjugation across the three iridadithiolenes and the phenylene bridge, which results in intense electronic communication among the three Co(2)(CO)(5) units in reduced mixed-valent states.     

Where does the metal cation stay in Gd@C2v(9)-C82? A single-crystal X-ray diffraction study

Metal positions in endohedral metallofullerenes (EMFs) are of special importance because their molecular symmetry and intrinsic properties are strongly influenced by the location and motion of the encapsulated metals. X-ray analyses of the cocrystals of Gd@C(2v)(9)-C(82) with nickel(II) octaethylporphyrin [Ni(II)(OEP)] reveal that the Gd(3+) cation is off-center, being located under a hexagonal ring along the 2-fold axis of the C(2v)(9)-C(82) cage. This result is in sharp contrast to that of a previous study, showing that Gd@C(2v)(9)-C(82) has an anomalous endohedral structure, with the metal being positioned over a [6,6] bond, which is opposite to the hexagonal ring along the C(2) axis (Phys. Rev. B 2004, 69, 113412). In agreement with theoretical calculations and related studies, it is conclusive that the single rare-earth metal in M@C(2v)(9)-C(82) always tends to coordinate with the hexagonal ring along the 2-fold axis, instead of interacting with the [6,6] bond on the other end, regardless of the type of metal atom.     

Electronic states of SnO-ZnO–P2O5 glasses and photoluminescence properties

SnO–ZnO–P₂O₅ glasses with 30 and 40 mol% P₂O₅ were prepared by a melting process in an air atmosphere. The glass transition temperature, refractive index, and photoluminescence of the glasses were investigated. The electronic states of Sn(II) and Sn(IV) were determined by Mössbauer spectroscopy. The PO₄ units were investigated by Raman spectroscopy. The glass transition temperature was lower than 450 °C, and decreased as the Sn concentrations increased, so that the minimum was about 250 °C. The refractive index increased as the Sn concentration increased. The emission spectra of the glasses peaked at around 2.0–3.0 eV and depended on the glass compositions.     

Formal adjoint operators and asymptotic formula for solutions of autonomous linear integral equations

For autonomous linear integral equations, we establish an explicit asymptotic representation formula of solutions, developing the spectral analysis for the generator of the solution semigroup as well as the one for the formal adjoint operator associated with the generator.     

An Iterated Local Search heuristic for the Heterogeneous Fleet Vehicle Routing Problem

This paper deals with the Heterogeneous Fleet Vehicle Routing Problem (HFVRP). The HFVRP is $\mathcal{NP}$ -hard since it is a generalization of the classical Vehicle Routing Problem (VRP), in which clients are served by a heterogeneous fleet of vehicles with distinct capacities and costs. The objective is to design a set of routes in such a way that the sum of the costs is minimized. The proposed algorithm is based on the Iterated Local Search (ILS) metaheuristic which uses a Variable Neighborhood Descent procedure, with a random neighborhood ordering (RVND), in the local search phase. To the best of our knowledge, this is the first ILS approach for the HFVRP. The developed heuristic was tested on well-known benchmark instances involving 20, 50, 75 and 100 customers. These test-problems also include dependent and/or fixed costs according to the vehicle type. The results obtained are quite competitive when compared to other algorithms found in the literature.