First-Principles Calculation of the Third Virial Coefficient of Helium

Knowledge of the pair and three-body potential-energy surfaces of helium is now sufficient to allow calculation of the third density virial coefficient, C(T), with significantly smaller uncertainty than that of existing experimental data. In this work, we employ the best available pair and three-body potentials for helium and calculate C(T) with path-integral Monte Carlo (PIMC) calculations supplemented by semiclassical calculations. The values of C(T) presented extend from 24.5561 K to 10 000 K. In the important metrological range of temperatures near 273.16 K, our uncertainties are smaller than the best experimental results by approximately an order of magnitude, and the reduction in uncertainty at other temperatures is at least as great. For convenience in calculation of C(T) and its derivatives, a simple correlating equation is presented.     

The capacity and distance constrained plant location problem

This article introduces a new problem called the Capacity and Distance Constrained Plant Location Problem. It is an extension of the discrete capacitated plant location problem, where the customers assigned to each plant have to be packed in groups that will be served by one vehicle each. The constraints include two types of capacity. On the one hand plants are capacitated, and the demands of the customers are indivisible. On the other hand, the total distance traveled by each vehicle to serve its assigned customers in round trips plant–customer–plant is also limited. The paper addresses different modeling aspects of the problem. It describes a tabu search algorithm for its solution. Extensive computational tests indicate that the proposed heuristic consistently yields optimal or near-optimal solutions.     

Investigation of Trypanothione Reductase as a Drug Target in Trypanosoma brucei

There is an urgent need for new drugs for the treatment of tropical parasitic diseases such as human African trypanosomiasis, which is caused by Trypanosoma brucei. The enzyme trypanothione reductase (TryR) is a potential drug target within these organisms. Herein we report the screening of a 62 000 compound library against T. brucei TryR. Further work was undertaken to optimise potency and selectivity of two novel‐compound series arising from the enzymatic and whole parasite screens and mammalian cell counterscreens. Both of these series, containing either a quinoline or pyrimidinopyrazine scaffold, yielded low micromolar inhibitors of the enzyme and growth of the parasite. The challenges of inhibiting TryR with druglike molecules is discussed.     

Tetragonal Tungsten Bronze Niobate, K0.2Sr0.4NbO3: A New Material for Capacitors with Flat Dielectric Curves

A new ceramic for capacitors, which exhibits flat dielectric curves with relative permittivity values (ɛ) as high as 3000 (Y7R or X7R class), has been synthesized. Use of a niobate, K_0.2Sr_0.4NbO₃ (KSN), with a tetragonal tungsten bronze structure (TTB), as a major phase for the fabrication of such ceramics is shown for the first time. Nevertheless, the addition of perovskites as minor agents—PbMg_1/3Nb_2/3O₃ (PMN)—is necessary to obtain stable temperature. Moreover, the use of lithium salts as sintering agents has been shown to be important for the fabrication of these ceramics.     

Polymer aqueous solutions as quenching media. II. Ethylene oxide–propylene oxide copolymers

The cooling power of aqueous solutions of ethylene oxide-propylene oxide copolymers are studied with a silver standard sample by using two apparatuses quench with injection and quench with agitation. For temperature T>400°C, the viscosity plays the predominant role; for T<400°C, the cooling is controlled by the polymer precipitation and the cooling rate decreases by lowering the cloud point of the polymer solution. This work demonstrates the possibility of adjusting the cooling curves by taking into account the thermodynamical properties of the polymer.