Solvent-Free Synthesis of Nano Zirconium Phenylphosphonates with Molten Phenylphosphonic Acid

Nanosized α-zirconium phenylphosphonate particles were successfully prepared by the reaction between different zirconium sources and molten phenylphosphonic acid in the absence of solvent. The resultant nanoplates exhibit particle sizes in the range of 15 to 30 nm. The use of a topotactic anion exchange method starting from α-zirconium phosphate instead resulted in the generation of 15 to 180 nm plates, while also resulting in nanoparticles with a higher degree of crystallinity. The topotactic anion exchange of the phosphate groups by phenylphosphonate groups could be performed to completion when performed in molten phenylphosphonic acid. Characterization of both the final products as well as the individual steps in the anion exchange were performed by powder XRD, fast neutron activation analysis, TGA, FTIR spectroscopy, TEM, solid-state NMR and XPS.     

Scalable Synthesis of Piperazines Enabled by Visible‐Light Irradiation and Aluminum Organometallics

The development of more active C? H oxidation catalysts has inspired a rapid, scalable, and stereoselective assembly of multifunctional piperazines through a [3+3] coupling of azomethine ylides. A combination of visible‐light irradiation and aluminum organometallics is essential to promote this transformation, which introduces visible‐light photochemistry of main‐group organometallics and sets the basis for new and promising catalysts.     

N‐bromo‐hydantoin grafted polystyrene beads: Synthesis and nano‐micro beads characteristics for achieving controlled release of active oxidative bromine and extended microbial inactivation efficiency

N‐bromo‐hydantoin and N‐bromo‐5,5′‐dimethylhydantoin conjugated polystyrene beads were synthesized from chloromethyl polystyrene beads which differ in their particles size, crosslinking, nano‐micro porosity, and tunnels size on the surface, in order to study the effect of these parameters on oxidative halogen release and resultant activity, for water purification applications. The synthesized beads were characterized using elemental analysis, FT‐IR, solid state ¹³C‐NMR, and scanning electron microscope (SEM). The conjugation yield and kinetics in different solvents and bromine loading capacity were studied. The N‐bromoamine polystyrene beads were tested for water decontamination according to NSF 231 protocol. The release of active bromine was analyzed by spectrophotometer using a DPD‐1 kit and also studied the antimicrobial activity against Escherichia coli and MS2 phages. Bead's nano‐micro characteristics were found critical for oxidative halogen release control: rate stabilization and modulation, extension and also influences antimicrobial activity. The synthesized beads exhibited extended and stable release of bromine, 6 and 4 log reduction for E. coli and MS2, respectively for 250 L of passing contaminated water. Thus, N‐halamine hydantoins conjugated polystyrenes, chemically or kinetically release modified should have applications as disinfectants in water purification systems as well as medical field. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2016 , 54, 596–610     

Penalty and relaxation methods for the optimal placement and operation of control valves in water supply networks

In this paper, we investigate the application of penalty and relaxation methods to the problem of optimal placement and operation of control valves in water supply networks, where the minimization of average zone pressure is the objective. The optimization framework considers both the location and settings of control valves as decision variables. Hydraulic conservation laws are enforced as nonlinear constraints and binary variables are used to model the placement of control valves, resulting in a mixed-integer nonlinear program. We review and discuss theoretical and algorithmic properties of two solution approaches. These include penalty and relaxation methods that solve a sequence of nonlinear programs whose stationary points converge to a stationary point of the original mixed-integer program. We implement and evaluate the algorithms using a benchmarking water supply network. In addition, the performance of different update strategies for the penalty and relaxation parameters are investigated under multiple initial conditions. Practical recommendations on the numerical implementation are provided.     

General Variable Neighborhood Search for computing graph separators

Computing graph separators in networks has a wide range of real-world applications. For instance, in telecommunication networks, a separator determines the capacity and brittleness of the network. In the field of graph algorithms, the computation of balanced small-sized separators is very useful, especially for divide-and-conquer algorithms. In bioinformatics and computational biology, separators are required in grid graphs providing a simplified representation of proteins. This papers presents a new heuristic algorithm based on the Variable Neighborhood Search methodology for computing vertex separators. We compare our procedure with the state-of-the-art methods. Computational results show that our procedure obtains the optimum solution in all of the small and medium instances, and high-quality results in large instances.     

Influence of root resistivity on plant water uptake mechanism,Part II: analytical solutions for low/moderate soil-root conductivity ratio

A one-dimensional approximate analytical model, which preserves the main features of soil-crop-atmospheric hydrodynamics, has been suggested for plant roots of low soil-root conductivity ratio (SRCR). The proposed approach involves physically based concepts, such as mass balance equation, Darcy’s law, and related water uptake and plant transpiration functions. Two main assumptions have been made to derive the analytical solution: (1) gravitational flow is adopted and (2) the uniform soil moisture distribution within the root water activity zone is supposed. The mass balance equation in its integral form is solved by the method of characteristics. This leads to the two functional equations for soil pressure head and root potential, which can be solved simultaneously by using common software. The model has been further verified against the numerical one. The model represents a reasonable compromise between the complicated mechanism of unsaturated water flow with root water uptake (RWU) and still insufficient knowledge of the soil-plant-atmospheric continuum. It is able to account for temporal fluctuations in root activity zone and provides a relatively simple algorithm for investigation of RWU-mechanism. Besides the theoretical and applicative importance, this flow model yields water and velocity distributions within soil profile, and, thereby, constitutes a preliminary step toward solution of contaminant transport problems in vadose zone. Deceased     

On exponential stability of second order delay differential equations

We propose a new method for studying stability of second order delay differential equations. Results we obtained are of the form: the exponential stability of ordinary differential equation implies the exponential stability of the corresponding delay differential equation if the delays are small enough. We estimate this smallness through the coefficients of this delay equation. Examples demonstrate that our tests of the exponential stability are essentially better than the known ones. This method works not only for autonomous equations but also for equations with variable coefficients and delays.     

Nonlinear Coherence in Multivariate Research: Invariants and the Reconstruction of Attractors

First, some linear techniques in multivariate time-series analysis in EEG research are reviewed to highlight the problem of estimating the dimensionality of the state space (embedding dimension), the reconstruction of an attractor, and the evaluation of invariant properties of the attractor. The traditional linear techniques included the usual spectral and cospectral measures of power, phase, and coherence to which stepwise discriminant analysis was applied for canonical representation of the attractor. Then, some traditional nonlinear techniques of attractor reconstruction and dimensional analysis which use the time-lagged univariate approach of Ruelle and Takens (Takens, 1981) are reviewed. Next, updates and multivariate generalizations that use singular-value decomposition (Broomhead & King, 1986) are reviewed. Finally, Stewart's (1995, 1996) multivariate generalization of the method of false nearest neighbors (Abarbanel, Brown, Sidorowich, & Tsimring, 1993; Kennel, Brown, & Abarbanel, 1992) is reviewed. These are particularly relevant for evaluating multivariate coherence in research on the complex cooperative dynamical systems found in neuroscience, psychology, and social science when time series of sufficient length are investigated.