Implicit depot assignments and rotations in vehicle routing heuristics

Vehicle routing variants with multiple depots and mixed fleet present intricate combinatorial aspects related to sequencing choices, vehicle type choices, depot choices, and depots positioning. This paper introduces a dynamic programming methodology for efficiently evaluating compound neighborhoods combining sequence-based moves with an optimal choice of vehicle and depot, and an optimal determination of the first customer to be visited in the route, called rotation. The assignment choices, making the richness of the problem, are thus no more addressed in the solution structure, but implicitly determined during each move evaluation. Two meta-heuristics relying on these concepts, an iterated local search and a hybrid genetic algorithm, are presented. Extensive computational experiments demonstrate the remarkable performance of these methods on classic benchmark instances for multi-depot vehicle routing problems with and without fleet mix, as well as the notable contribution of the implicit depot choice and positioning methods to the search performance. New state-of-the-art results are obtained for multi-depot vehicle routing problems (MDVRP), and multi-depot vehicle fleet mix problems (MDVFMP) with unconstrained fleet size. The proposed concepts are fairly general, and widely applicable to many other vehicle routing variants.     

Primal-Dual Relationship Between Levenberg–Marquardt and Central Trajectories for Linearly Constrained Convex Optimization

We consider the minimization of a convex function on a bounded polyhedron (polytope) represented by linear equality constraints and non-negative variables. We define the Levenberg–Marquardt and central trajectories starting at the analytic center using the same parameter, and show that they satisfy a primal-dual relationship, being close to each other for large values of the parameter. Based on this, we develop an algorithm that starts computing primal-dual feasible points on the Levenberg–Marquardt trajectory and eventually moves to the central path. Our main theorem is particularly relevant in quadratic programming, where points on the primal-dual Levenberg–Marquardt trajectory can be calculated by means of a system of linear equations. We present some computational tests related to box constrained trust region subproblems.     

Asymptotic distributions of robust shape matrices and scales

It has been frequently observed in the literature that many multivariate statistical methods require the covariance or dispersion matrix Σ of an elliptical distribution only up to some scaling constant. If the topic of interest is not the scale but only the shape of the elliptical distribution, it is not meaningful to focus on the asymptotic distribution of an estimator for Σ or another matrix Γ∝Σ. In the present work, robust estimators for the shape matrix and the associated scale are investigated. Explicit expressions for their joint asymptotic distributions are derived. It turns out that if the joint asymptotic distribution is normal, the estimators presented are asymptotically independent for one and only one specific choice of the scale function. If it is non-normal (this holds for example if the estimators for the shape matrix and scale are based on the minimum volume ellipsoid estimator) only the scale function presented leads to asymptotically uncorrelated estimators. This is a generalization of a result obtained by Paindaveine [D. Paindaveine, A canonical definition of shape, Statistics and Probability Letters 78 (2008) 2240-2247] in the context of local asymptotic normality theory.     

The cut‐tree of large trees with small heights

We destroy a finite tree of size n by cutting its edges one after the other and in uniform random order. Informally, the associated cut‐tree describes the genealogy of the connected components created by this destruction process. We provide a general criterion for the convergence of the rescaled cut‐tree in the Gromov‐Prohorov topology to an interval endowed with the Euclidean distance and a certain probability measure, when the underlying tree has branching points close to the root and height of order . In particular, we consider uniform random recursive trees, binary search trees, scale‐free random trees and a mixture of regular trees. This yields extensions of a result in Bertoin (Probab Stat 5 (2015), 478–488) for the cut‐tree of uniform random recursive trees and also allows us to generalize some results of Kuba and Panholzer (Online J Anal Combin (2014), 26) on the multiple isolation of vertices. The approach relies in the close relationship between the destruction process and Bernoulli bond percolation, which may be useful for studying the cut‐tree of other classes of trees. © 2017 Wiley Periodicals, Inc. Random Struct. Alg., 51, 404–427, 2017     

Nucleation and Growth Synthesis of Siloxane Gels to Form Functional,Monodisperse, and Acoustically Programmable Particles

Nucleation and growth methods offer scalable means of synthesizing colloidal particles with precisely specified size for applications in chemical research, industry, and medicine. These methods have been used to prepare a class of silicone gel particles that display a range of programmable properties and narrow size distributions. The acoustic contrast factor of these particles in water is estimated and can be tuned such that the particles undergo acoustophoresis to either the pressure nodes or antinodes of acoustic standing waves. These particles can be synthesized to display surface functional groups that can be covalently modified for a range of bioanalytical and acoustophoretic sorting applications.     

Bulk Free Radical Polymerization of Methyl Methacrylate and Vinyl Acetate: A Comparative Study

The model and methodology for estimating diffusion‐controlled rate coefficients for the methyl methacrylate (MMA) polymerization system is extended to the vinyl acetate (VAc) case. Comparison of the kinetic behavior and termination rate coefficients (k_t) of both monomers suggests that at low conversions the termination reaction is controlled by the chemical step, whereas at moderate and high conversions it is controlled by the diffusive step which in turn is determined by the segmental diffusion of the long radicals and not by the center of mass diffusion of short radicals. It is found that, for most of the conversion range, diffusion coefficient for VAc is lower than the one for MMA notwithstanding that k_tVAc > k_tMMA. An explanation of this apparent inconsistency on the base of the model results and in terms of segmental mobility is proposed.

     

Use of hydrogen peroxide to achieve interference-free stripping voltammetric determination of copper at the bismuth-film electrode

In this work, a new approach is presented to allow interference-free determination of Cu (II) by stripping voltammetry using the bismuth-film electrode. The addition of hydrogen peroxide to the electroanalytical cell has promoted complete resolution between re-dissolution peaks of Bi (III) and Cu (II). The absence of interference could be evaluated by the correlation coefficient (r > 0.99) between Cu (II) concentration and its shifted current peak (at +212 mV) while achieving a slightly fluctuation of the bismuth current peak at −180 mV. Studies were performed aiming towards the optimum conditions for trace determination of Cu (II) using hydrogen peroxide. The methodology was applied to a real sample (sugarcane spirits) and the results were compared to those from graphite furnace atomic absorption spectrometry. The analytical parameters of merit and the results of the analysis indicated that the analytical methodology could be readily used for trace determination of Cu (II).     

How important are temperature effects for cluster polarizabilities?

State-of-the-art first-principle all-electron density functional theory calculations on small sodium clusters are performed to study the temperature dependency of their polarizabilities. For this purpose Born-Oppenheimer molecular dynamics simulations with more than 100,000 time steps (>200 ps) are recorded employing gradient corrected functionals in combination with a double-zeta valence polarization basis set. For each cluster 18 trajectories between 50 and 900 K are collected. The cluster polarizabilities are then calculated along these trajectories employing a triple-zeta valence polarization basis set augmented with field-induced polarization functions. The analysis of these calculations shows that the temperature dependency of the sodium cluster polarizabilities varies strongly with cluster size. For several clusters characteristic changes in the polarizability per atom as a function of temperature are observed. It is shown that the inclusion of finite temperature effects resolves the long-standing mismatch between calculated and measured sodium cluster polarizabilities.     

Ultra-fast chromatographic micro-assay for quantification of diphenidol in plasma: application in an oral multi-dose switchability trial

Pharmacokinetics of diphenidol (DPN) is limited due to the lack of analytical methodology. Here, a micro-assay for DPN quantification was developed, by coupling ultra-performance liquid chromatography with tandem mass spectrometry. The procedure involved plasma precipitation and injection of supernatant into UPLC with an Acquitytrade mark C18 column. Detection was in positive electrospray, following transitions of m/z 310.3 --> 292.3 and m/z 275.3 --> 230.2 for DPN and chlorphenamine (internal standard), respectively. The method was linear with a range of 4-400 ng/mL, and a 2 min run time. This method was applied in a switchability trial, where both formulations of DPN were bioequivalent.     

Nanostructure-Driven Indocyanine Green Dimerization Generates Ultra-Stable Phototheranostics Nanoparticles

Indocyanine green (ICG) is the only near-infrared (NIR) dye approved for clinical use. Despite its versatility in photonic applications and potential for photothermal therapy, its photobleaching hinders its application. Here we discovered a nanostructure of dimeric ICG (Nano-dICG) generated by using ICG to stabilize nanoemulsions, after which ICG enabled complete dimerization on the nanoemulsion shell, followed by J-aggregation of ICG-dimer, resulting in a narrow, red-shifted (780 nm→894 nm) and intense (≈2-fold) absorbance. Compared to ICG, Nano-dICG demonstrated superior photothermal conversion (2-fold higher), significantly reduced photodegradation (−9.6 % vs. −46.3 %), and undiminished photothermal effect (7 vs. 2 cycles) under repeated irradiations, in addition to excellent colloidal and structural stabilities. Following intravenous injection, Nano-dICG enabled real-time tracking of its delivery to mouse tumors within 24 h by photoacoustic imaging at NIR wavelength (890 nm) distinct from the endogenous signal to guide effective photothermal therapy. The unprecedented finding of nanostructure-driven ICG dimerization leads to an ultra-stable phototheranostic platform.