Efficient GRASP+VND and GRASP+VNS metaheuristics for the traveling repairman problem

The traveling repairman problem is a customer-centric routing problem, in which the total waiting time of the customers is minimized, rather than the total travel time of a vehicle. To date, research on this problem has focused on exact algorithms and approximation methods. This paper presents the first metaheuristic approach for the traveling repairman problem.     

An iterated local search algorithm for the vehicle routing problem with backhauls

The Vehicle Routing Problem with Backhauls (VRPB) is an extension of the VRP that deals with two types of customers: the consumers (linehaul) that request goods from the depot and the suppliers (backhaul) that send goods to the depot. In this paper, we propose a simple yet effective iterated local search algorithm for the VRPB. Its main component is an oscillating local search heuristic that has two main features. First, it explores a broad neighborhood structure at each iteration. This is efficiently done using a data structure that stores information about the set of neighboring solutions. Second, the heuristic performs constant transitions between feasible and infeasible portions of the solution space. These transitions are regulated by a dynamic adjustment of the penalty applied to infeasible solutions. An extensive statistical analysis was carried out in order to identify the most important components of the algorithm and to properly tune the values of their parameters. The results of the computational experiments carried out show that this algorithm is very competitive in comparison to the best metaheuristic algorithms for the VRPB. Additionally, new best solutions have been found for two instances in one of the benchmark sets. These results show that the performance of existing metaheuristic algorithms can be considerably improved by carrying out a thorough statistical analysis of their components. In particular, it shows that by expanding the exploration area and improving the efficiency of the local search heuristic, it is possible to develop simpler and faster metaheuristic algorithms without compromising the quality of the solutions obtained.     

Researcher–teacher relationships and models for teaching development in mathematics education

This article offers theoretical and analytical approaches to investigating how researchers and teachers can work together to create knowledge in mathematics education. It argues that researchers and teachers are members of separate, but related, communities of practice, which create and value different types of knowledge. However, connections between communities can be established through discrete boundary encounters, longer term boundary practices, or peripheral participation by members of one community in the practices of another community. A framework for analyzing researcher–teacher relationships is presented and then used to compare ways in which I, as a university-based researcher, worked with teachers in three different types of research projects. The analysis indicates that successful research collaborations are characterized by mutuality of researcher and teacher motivations, roles, and purposes, and complementarity of their expertise and knowledge. Such collaborations build two-way connections between communities through practices that support mutual engagement across the boundaries that define them.     

Optical response of the Cu2S2 diamond core in (NGuaS)2Cl2

Density functional theory (DFT) and time‐dependent DFT calculations are presented for the dicopper thiolate complex Cu₂(NGuaS)₂Cl₂ [NGuaS=2‐(1,1,3,3‐tetramethylguanidino) benzenethiolate] with a special focus on the bonding mechanism of the Cu₂S₂Cl₂ core and the spectroscopic response. This complex is relevant for the understanding of dicopper redox centers, for example, the Cu_A center. Its UV/Vis absorption is theoretically studied and found to be similar to other structural Cu_A models. The spectrum can be roughly divided in the known regions of metal d‐d absorptions and metal to ligand charge transfer regions. Nevertheless the chloride ions play an important role as electron donors, with the thiolate groups as electron acceptors. The bonding mechanism is dissected by means of charge decomposition analysis which reveals the large covalency of the Cu₂S₂ diamond core mediated between Cu and S‐S π and π* orbitals forming Cu‐S σ bonds. Measured resonant Raman spectra are shown for 360‐ and 720‐nm excitation wavelength and interpreted using the calculated vibrational eigenmodes and frequencies. The calculations help to rationalize the varying resonant behavior at different optical excitations. Especially the phenylene rings are only resonant for 720 nm. © 2016 Wiley Periodicals, Inc.     

Reaction kinetics of CO + HO(2) --> products: ab initio transition state theory study with master equation modeling

The kinetics of the reaction CO + HO2* --> CO2 + *OH was studied using a combination of ab initio electronic structure theory, transition state theory, and master equation modeling. The potential energy surface was examined with the CCSD(T) and CASPT2 methods. The classical energy barriers were found to be about 18 and 19 kcal/mol for CO + HO2* addition following the trans and cis paths, respectively. For the cis path, rate constant calculations were carried out with canonical transition state theory. For the trans path, master equation modeling was also employed to examine the pressure dependence. Special attention was paid to the hindered internal rotations of the HOOC*O adduct and transition states. The theoretical analysis shows that the overall rate coefficient is independent of pressure up to 500 atm for temperature ranging from 300 to 2500 K. On the basis of this analysis, we recommend the following rate expression for reaction R1 k(cm(3)/mol x s) = 1.57 x 10(5) T(2.18)e(-9030/T) for 300 < or = T < or = 2500 K with the uncertainty factor equal to 8, 2, and 1.7 at temperatures of 300, 1000, and 2000 K, respectively.     

Impairment of mitochondrial calcium handling in a mtSOD1 cell culture model of motoneuron disease

Background  

Amyotrophic lateral sclerosis (ALS) is a fatal neurodegenerative disorder characterized by the selective loss of motor neurons (MN) in the brain stem and spinal cord. Intracellular disruptions of cytosolic and mitochondrial calcium have been associated with selective MN degeneration, but the underlying mechanisms are not well understood. The present evidence supports a hypothesis that mitochondria are a target of mutant SOD1-mediated toxicity in familial amyotrophic lateral sclerosis (fALS) and intracellular alterations of cytosolic and mitochondrial calcium might aggravate the course of this neurodegenerative disease. In this study, we used a fluorescence charged cool device (CCD) imaging system to separate and simultaneously monitor cytosolic and mitochondrial calcium concentrations in individual cells in an established cellular model of ALS.