A multi-space sampling heuristic for the vehicle routing problem with stochastic demands

The vehicle routing problem with stochastic demands consists in designing transportation routes of minimal expected cost to satisfy a set of customers with random demands of known probability distributions. This paper proposes a simple yet effective heuristic approach that uses randomized heuristics for the traveling salesman problem, a tour partitioning procedure, and a set partitioning formulation to sample the solution space and find high-quality solutions for the problem. Computational experiments on benchmark instances from the literature show that the proposed approach is competitive with the state-of-the-art algorithm for the problem in terms of both accuracy and efficiency. In experiments conducted on a set of 40 instances, the proposed approach unveiled four new best-known solutions (BKSs) and matched another 24. For the remaining 12 instances, the heuristic reported average gaps with respect to the BKS ranging from 0.69 to 0.15 % depending on its configuration.     

Depth-profile analysis of nanostructures by SIMS: Depth resolution function

A new model of the depth-resolution function for secondary-ion mass spectrometry, which takes into account recoil implantation, ion mixing, and surface roughness formation under ion irradiation, is considered. A simple three-parameter equation is proposed to describe the depth-resolution function. Analytical expressions are obtained for two parameters.     

Numerical investigation of the current transition regimes in nanochannels

The concentration polarization phenomena and its effects represent one of the main challenges for the optimal operation of many nanofluidic systems. A numerical investigation of the different electric current transition regimes observed during the concentration polarization phenomena in nanochannels is performed. This included a 2D‐axisymmetric simulation of the nanofluidic system (reservoir‐nanochannel‐reservoir). From these simulations, a novel mechanism is discovered that explains that different current transition regimes. This driving mechanism involves the applied electric field penetration while the convective flow mechanism is found to be negligible. This differs with the classical statement that the mixing process with less depleted areas initiated by an electrokinetic vortex instability starts the overlimiting regime. Additionally, the numerical approach allows us to identify new characteristics of the linear‐limiting transition such as source‐like and saddle‐like points of the electric field streamlines. The three voltage–current regimes (linear, limiting and overlimiting) are explained by observing and quantifying changes in electric field, potential, ion concentration and ion concentration gradients within the system.     

Evaluation of unsteady pressure fields and forces in rotating airfoils from time-resolved PIV

The final stages of transitional phenomena in laminar separation bubbles play a key role in their reattachment process, and they condition the boundary layer properties and flow structure after reattachment. In this experimental study, the evolution of the perturbation velocity spectra found in this zone is first presented, showing the nonlinear growth of instabilities in their path to develop fully turbulent spectra. The study of the average flow field allows the scaling of the reattachment region, both in its extension and in the characterization of the integral boundary layer magnitudes. Experimental laws are proposed for the evolution of the momentum thickness and of the shape factor. In addition, a universal, wake-like mean velocity profile is found shortly after the reattachment station. The phase-locked characterization technique allows measurements conditioned to the presence of a fluid event. This technique is used to track the evolution of large-scale structures, whose dynamics is seen to dominate the fluid behavior in the reattachment zone. The simultaneous existence of two vortex blobs is found to characterize this flow region, with the longest lived one being convected toward the wall and stretched. This process results in the fast breakdown of the large-scale vorticity structure and the sudden formation of 3-D, small scales that promote the rapid flow evolution toward a fully developed turbulent state.     

Optical spectroscopy of silver ion-exchanged As-doped glass

Soda-lime-silicate glass containing arsenic oxide and undoped soda-lime-silicate glass (blank) are prepared by melting from pure sand (iron concentration lower than 0.01 wt%). The effect of arsenic on the optical properties of the glass with and without silver ion exchange at 325 °C for various times is investigated by optical absorption and photoluminescence spectroscopy. Emission/excitation spectra of silver ion exchanged glass allow differentiation of three stages in the silver incorporation into the glass network. First and second stages are only observed in the undoped glass ion exchanged for short times. Such stages are associated with the presence of isolated Ag⁺-ions and Ag⁺-Ag⁺ pairs, respectively. The third stage appears in the undoped glass ion exchanged for times longer than 10 min and in the arsenic-doped glass even for exchange times as short as 1 min. Then, this stage is characterised by molecular mixed species formed with Ag⁺ and Ag⁰, which coexist with nanoparticles of metallic silver. The presence of those Ag⁰-aggregates gives a yellow colour to the glasses, which show the well-know absorption band at about 400 nm due to surface plasmon resonance.     

Spider venoms: a rich source of acylpolyamines and peptides as new leads for CNS drugs

Advances in NMR and mass spectrometry as well as in peptide biochemistry coupled to modern methods in electrophysiology have permitted the isolation and identification of numerous products from spider venoms, previously explored due to technical limitations. The chemical composition of spider venoms is diverse, ranging from low molecular weight organic compounds such as acylpolyamines to complex peptides. First, acylpolyamines (< 1000 Da) have an aromatic moiety linked to a hydrophilic lateral chain. They were characterized for the first time in spider venoms and are ligand-gated ion channel antagonists, which block mainly postsynaptic glutamate receptors in invertebrate and vertebrate nervous systems. Acylpolyamines represent the vast majority of organic components from the spider venom. Acylpolyamine analogues have proven to suppress hippocampal epileptic discharges. Moreover, acylpolyamines could suppress excitatory postsynaptic currents inducing Ca+ accumulation in neurons leading to protection against a brain ischemic insult. Second, short spider peptides (< 6000 Da) modulate ionic currents in Ca2+, Na+, or K+ voltage-gated ion channels. Such peptides may contain from three to four disulfide bridges. Some spider peptides act specifically to discriminate among Ca2+, Na+, or K+ ion channel subtypes. Their selective affinities for ion channel subfamilies are functional for mapping excitable cells. Furthermore, several of these peptides have proven to hyperpolarize peripheral neurons, which are associated with supplying sensation to the skin and skeletal muscles. Some spider N-type calcium ion channel blockers may be important for the treatment of chronic pain. A special group of spider peptides are the amphipathic and positively charged peptides. Their secondary structure is alpha-helical and they insert into the lipid cell membrane of eukaryotic or prokaryotic cells leading to the formation of pores and subsequently depolarizing the cell membrane. Acylpolyamines and peptides from spider venoms represent an interesting source of molecules for the design of novel pharmaceutical drugs.     

Organocatalyzed Enantioselective Desymmetrization of Diols in the Preparation of Chiral Building Blocks

Desymmetrization of diols is a powerful tool to the synthesis of chiral building blocks. Among the different approaches to perform discrimination between both enantiotopic hydroxyl groups, the organocatalytic approach has gained importance in the last years. A diverse range of organocatalysts has been used to efficiently promote this enantioselective transformation and this Minireview examines the different contributions in this field.     

Solution methods for the bi-objective (cost-coverage) unconstrained facility location problem with an illustrative example

The Colombian coffee supply network, managed by the Federación Nacional de Cafeteros de Colombia (Colombian National Coffee-Growers Federation), requires slimming down operational costs while continuing to provide a high level of service in terms of coverage to its affiliated coffee growers. We model this problem as a biobjective (cost-coverage) uncapacitated facility location problem (BOUFLP). We designed and implemented three different algorithms for the BOUFLP that are able to obtain a good approximation of the Pareto frontier. We designed an algorithm based on the Nondominated Sorting Genetic Algorithm; an algorithm based on the Pareto Archive Evolution Strategy; and an algorithm based on mathematical programming. We developed a random problem generator for testing and comparison using as reference the Colombian coffee supply network with 29 depots and 47 purchasing centers. We compared the algorithms based on the quality of the approximation to the Pareto frontier using a nondominated space metric inspired on Zitzler and Thiele's. We used the mathematical programming-based algorithm to identify unique tradeoff opportunities for the reconfiguration of the Colombian coffee supply network. Finally, we illustrate an extension of the mathematical programming-based algorithm to perform scenario analysis for a set of uncapacitated location problems found in the literature.     

Photophysical, spectroscopic, and computational studies of a series of Re(I) tricarbonyl complexes containing 2,6-dimethylphenylisocyanide and 5- and 6-derivatized phenanthroline ligands

The ligand 2,6-dimethylphenylisocyanide (CNx) forms six complexes of the formula [Re(CO)3(CNx)(L)]+, where L = 1,10-phenanthroline (1), 5-chloro-1,10-phenanthroline (2), 5-nitro-1,10-phenanthroline (3), 5-methyl-1,10-phenanthroline (4), 5,6-dimethyl-1,10-phenanthroline (5), and 1,10-phenanthrolinopyrrole (6). The lowest-energy absorption peaks of the complexes red-shift in the order 1 < 2 < 3 < 4 < 5 < 6. The time-dependent density functional theory (TDDFT) and conductor-like polarizable continuum model (CPCM) computed singlet excited states in ethanol deviate by 1000 cm(-1) or less from the experimental UV-vis peaks. The complexes undergo reversible reductions and irreversible oxidations. The electronic energy gap increases in the order 3 < 2 < 1 < 4 < 5 < 6, which is the order of increasing electron-donating power of the phen substituents. The reduction potentials linearly correlate with the B3LYP calculated LUMO energies for 1-6. The complexes emit at room temperature and at 77 K except 3, which emits only at 77 K. The calculated (3)MLLCT energies are within 1100 cm(-1) from the experimental emission energies at 77 K. The 77 K emission curve-fitting analysis results agree with the computational assignment of the emitting state as 3MLLCT for 1-5 and 3LC for 6. The experimental 77 K emission energies and the calculated 3MLLCT state energies increase in the order 6 < 5, 3 < 2 < 4, 1. The 77 K emission lifetimes increase upon addition of substituents from 65 micros for 1 to 171 micros for 2, to 230 micros for 4 and 5, and to 322 micros for 3. The emission quantum yields at room temperature in solution are 0.77, 0.78, 0.83, 0.56, and 0.11 for complexes 1, 2, 4, 5, and 6, respectively.