The counting complexity of a simple scheduling problem

Let T be a set of tasks. Each task has a non-negative processing time and a deadline. The problem of determining whether or not there is a schedule of the tasks in T such that a single machine can finish processing each of them before its deadline is polynomially solvable. We prove that counting the number of schedules satisfying this condition is #P-complete.     

Critical wavefunctions in disordered graphene

In order to elucidate the presence of non-localized states in doped graphene, a scaling analysis of the wavefunction moments, known as inverse participation ratios, is performed. The model used is a tight-binding Hamiltonian considering nearest and next-nearest neighbors with random substitutional impurities. Our findings indicate the presence of non-normalizable wavefunctions that follow a critical (power-law) decay, which show a behavior intermediate between those of metals and insulators. The power-law exponent distribution is robust against the inclusion of next-nearest neighbors and growing the system size.     

Physical and chemical properties of Co n?m Cu m nanoclusters with n?=?2–6 atoms via ab-initio calculations

The aim of this work is to investigate the influence of the preparation method on the surface charge and electrokinetic properties of poly-??-caprolactone-based particles using poloxamer 188 as stabilizing agent. To target such objective, two processes (the nanoprecipitation and the emulsification-diffusion) are used to prepare well-defined nanospheres ranging in hydrodynamic diameters from 100 to 200?nm. The effect of the materials used on the particle zeta potential is systematically studied to compare the two preparation methods. The polarity of the organic solvent directly affects the zeta potential of particles prepared via the emulsification-diffusion method. The results obtained suggest that the aqueous phase used for preparing particles affects the possible re-arrangement of polymers during the emulsification step. As the aqueous phase is saturated with the organic solvent, the polar and the non-polar moieties of the polymer chains might be re-conformed following organic solvent diffusion from the particle core to the continuous phase. Regarding the nanoprecipitation process, the electrokinetic properties of the particles were found to be organic solvent independent, but principally affected by the pH and the salinity of the aqueous phase used during the particle preparation.     

Modeling and Simulation of an Energy Integrated Distillation Column in a Bond Graph Approach

The bond graph methodology for modelling an integrated energy distillation column is applied in this paper. The distillation column is built by five trays for a binary mixture. However, due to its modular construction in a bond graph, the number of trays can be increased. In order to link the analysis tools of systems modeled in the bond graph to the mathematical model given to a distillation column, a junction structure of the proposed bond graph is presented. Hence, this junction structure is a way to obtain the state space representation of the modeled column in bond graphs. Likewise, it is well known that distillation columns determine a class of nonlinear systems, so throughout this paper, these systems in a bond graph approach can be analyzed. In order to learn the behavior of the distillation column in the physical domain, simulation results using 20-Sim software are shown. In addition, with the simulation of two case studies consisting of two mixtures with different relative volatilities, the versatility of the column model in a bond graph is presented. In both cases, the increase in the feed flow, the mole fraction of the light component in the feed or the distillate reflux that enriches the concentration of light in the column determine an increase in the mole fraction of light in the distillate and in the bottom reflow. Further, the control design for a distillation column in the physical domain can be extended.     

Application of Electrospun Water-Soluble Synthetic Polymers for Multifunctional Air Filters and Face Masks

The worsening of air quality is an urgent human health issue of modern society. The outbreak of COVID-19 has made the improvement of air quality even more imperative, both for the general achievement of major health gains and to reduce the critical factors in the transmission of airborne diseases. Thus, the development of solutions for the filtration of airborne pollutants is pivotal. Electrospinning has gained wide attention as an effective fabrication technique for preparing ultrafine fibers which are specifically tailored for air filtration. Nevertheless, the utilization of harmful organic solvents is the major barrier for the large-scale applicability of electrospinning. The use of water-soluble synthetic polymers has attracted increasing attention as a ‘green’ solution in electrospinning. We reported an overview of the last five years of the scientific literature on the use of water-soluble synthetic polymers for the fabrication of multifunctional air filters layers. Most of recent studies have focused on polyvinyl alcohol (PVA). Various modifications of electrospun polymers have been also described. The use of water-soluble synthetic polymers can contribute to the scalability of electrospinning and pave the way to innovative applications. Further studies will be required to fully harness the potentiality of these ‘greener’ electrospinning processes.     

Oxidative Coordination versus C3−C(O)Me Bond Cleavage in Acetylacetonate Iridium Complexes

Iridabicycles [Ir{κ³-N,C,O-(pyC(H)=C(C(O)Me)₂}(Cl)(L−L)](L−L=cod (cod=1,5-cyclooctadiene), 1 a ; bipy (bipy=2,2’-bipyridine), 1 b ) have been obtained by oxidative coordination of 3-(pyridine-2-yl-methylene)pentane-2,4-dione L1 , to the complexes [{Ir(μ-Cl)(cod)}₂] and [{Ir(μ-Cl)(coe)₂}₂] (coe=cis-cyclooctene), the latter in the presence of bipy. Remarkably, cleavage of the C³−C(O)Me bond of L1 has instead been achieved in the reaction with [Ir(Cl)(dmb)₂] (dmb=2,3-dimethylbutadiene), yielding a compound formulated as [Ir{κ²-N,C-(pyC(H)C(C(O)Me))}(CO)(μ-Cl)(Me)]₂, 2 . Treatment of dimer 2 with DMSO or PMe₃ produced the complexes[Ir{κ²-N,C-(pyC(H)C(C(O)Me)}(CO)Cl(Me)L] (L=DMSO, 3 a ; PMe₃, 3 b ). Plausible mechanisms for the reactions leading to complexes 1 and 2 are proposed by means of DFT calculations.     

Origins of the Reactivity in 1,3-Dipolar Cycloadditions of Acyl Isocyanide Ylides

1,3-Dipolar cycloadditions are the preferred method to generate five-membered heterocyclic rings. Surprisingly, cycloadditions based on acyl-isocyanide ylides have remained underexplored by the chemical community. Acyl-isocyanide ylides readily react with dipolarophiles, such as substituted alkenes, to yield Δ¹-pyrroline derivatives. As an explanation for the observed reactivity of this reaction is lacking, extensive density functional theory calculations were performed to scrutinize the mechanistic features of the transformation. Herein we explain the experimental outcome of the reaction using a variety of reactivity theories and predict opposed regioselectivity for electron-poor and electron-rich dipolarophiles. With the insights obtained, we hope to incentivize the design of new cycloaddition reactions based on the acyl-isocyanide ylides motif.     

Cyclic voltammetry of immobilized particles as an alternative pesticide screening method for Aedes aegypti mosquitoes

Journal of Solid State Electrochemistry - Today, pest control by chemical treatment is the main strategy against pest insects. This article proposes to show how cyclic voltammetry of immobilized...