Investigation of the equality constraint effect on the reduction of the rotational ambiguity in three-component system using a novel grid search method

The obtained results by soft modeling multivariate curve resolution methods often are not unique and are questionable because of rotational ambiguity. It means a range of feasible solutions equally fit experimental data and fulfill the constraints. Regarding to chemometric literature, a survey of useful constraints for the reduction of the rotational ambiguity is a big challenge for chemometrician. It is worth to study the effects of applying constraints on the reduction of rotational ambiguity, since it can help us to choose the useful constraints in order to impose in multivariate curve resolution methods for analyzing data sets. In this work, we have investigated the effect of equality constraint on decreasing of the rotational ambiguity. For calculation of all feasible solutions corresponding with known spectrum, a novel systematic grid search method based on Species-based Particle Swarm Optimization is proposed in a three-component system.     

A semidefinite programming approach to the hypergraph minimum bisection problem

The hypergraph minimum bisection (HMB) problem is the problem of partitioning the vertices of a hypergraph into two sets of equal size so that the total weight of hyperedges crossing the sets is minimized. HMB is an NP-hard problem that arises in numerous applications – for example, in digital circuit design. Although many heuristics have been proposed for HMB, there has been no known mathematical program that is equivalent to HMB. As a means of shedding light on HMB, we study the equivalent, complement problem of HMB (called CHMB), which attempts to maximize the total weight of non-crossing hyperedges. We formulate CHMB as a quadratically constrained quadratic program, considering its semidefinite programming relaxation and providing computational results on digital circuit partitioning benchmark problems. We also provide results towards an approximation guarantee for CHMB.     

Two improved formulations for the minimum latency problem

In network problems, latency is associated with the metric used to evaluate the length of the path from a root vertex to each vertex in the network. In this work we are dealing with two applications or variations of the minimum latency problem known as the repairman problem and the deliveryman problem. We have developed two integer formulations for the minimum latency problem and compared them with other two formulations from the literature for the time-dependent traveling salesman problem. The present work highlights the similarities and differences between the different formulations. In addition, we discuss the convenience of including a set of constraints in order to reduce the computation time needed to reach the optimal solution. We have carried out extensive computational experimentation on asymmetrical instances, since they provide the characteristics of the deliveryman and repairman problems in a better way.     

Necessary and sufficient optimality conditions for fractional multi-objective problems

Using a special scalarization, we give necessary optimality conditions for fractional multiobjective optimization problems. Under a generalized invexity, sufficient optimality conditions are also given. All over the article, the data are assumed to be continuous but not necessarily Lipschitz.     

A NEW SYSTEM EXHIBITING A HIGH BARRIER TO ROTATION ABOUT THE P—N BOND. SYNTHESES AND SPECTRAL STUDIES OF 1,3,2-DIAZAPHOSPHETIDIN-4-ONE DERIVATIVES

Abstract

1,3,2-Diazaphosphetidin-4-one derivatives were synthesized. Their ¹H NMR signals at ambient temperature displaed a broad doublet which eventually coalesced before becoming sharp upon warming, and the ¹³C NMR spectra also showed that the α-and β-carbons of the dialkylamino group were non-equivalent. The phenomena were ascribed to restricted rotation about the exocyclic P—N bond.     

Preparation and Characterization of Styrene/Butyl Acrylate Emulsifier-Free Latex with 2-Acrylamido-2-Methyl Propane Sulfonic Acid as a Reactive Emulsifier

A kind of emulsifier-free latex (FL) was successfully synthesized from styrene (St) and butyl acrylate (BA) with 2-acrylamido-2-methyl propane sulfonic acid (AMPS) as a reactive emulsifier. The particle size of latex particles, stability against electrolytes, minimum film forming temperature (MFT) and water contact angle (CA) were evaluated and compared with a conventional latex (CL). Test results show that FL has larger particle size, better stability against electrolytes and lower MFT value compared with CL; higher AMPS content leads to smaller particle size and smaller water CA.     

Antibacterial and Antifungal Activities—Surface Active Properties Relation of Novel Dischiff Base Cationic Gemini Amphiphiles Bearing Homogeneous Hydrophobes

A novel series of cationic Gemini amphiphiles containing Dischiff base species were synthesized and their chemical structures were determined using different analytical tools. Their surface properties were determined using surface tension measurements. The adsorption and micellization thermodynamic parameters were calculated using Gibb's equations at 25°C. The surface parameters were also determined including critical micelle concentration, effectiveness, efficiency, maximum surface excess, minimum surface area, interfacial tension, and emulsification power. The synthesized cationic Gemini surfactants were evaluated as bactericides for gram negative and gram positive bacteria and also against sulfur reducing bacteria (SRB). The results of the cytotoxicity of the synthesized compounds against the targeted bacterial strains were promising and completely dependent on the surface activity of these compounds.     

The Allen–Cahn equation with dynamic boundary conditions and mass constraints

The Allen–Cahn equation, coupled with dynamic boundary conditions, has recently received a good deal of attention. The new issue of this paper is the setting of a rather general mass constraint, which may involve either the solution inside the domain or its trace on the boundary. The system of nonlinear partial differential equations can be formulated as a variational inequality. The presence of the constraint in the evolution process leads to additional terms in the equation and the boundary condition containing a suitable Lagrange multiplier. A well‐posedness result is proved for the related initial value problem. Copyright © 2014 John Wiley & Sons, Ltd.     

Linear Group 13 E≡E Triple Bonds in E2Li62+

The triply bonded heavier main-group compounds have a textbook trans-bent geometry, in contrast to a familiar linear form found for the lightest analogues. Strikingly, the unexpected linear group 13 E≡E triple bonds were herein found in the D_4h-symmetry E₂Li₆²⁺ clusters, and they possess a large barrier (>18.0 kcal/mol) towards the dissociation of Li⁺. The perfectly surrounded Li₄ motifs and two linear coordinated Li atoms strongly suppress the increasing nonbonded electron density of heavier E atoms, making two degenerate π bonds and one multi-center σ bond in linear heavier main-group triple bonds. The surrounding Li₆ motifs not only creates an effective electronic structure to form a linear E≡E triple bond, but the resulting electrostatic interactions account for the highly stable global E₂Li₆²⁺ clusters.