Efficient crystallization induced emissive materials based on a simple push-pull molecular structure

Solid state luminescent materials are the subject of ever growing interest both from a scientific and a technological point of view. Aggregation caused quenching (ACQ) processes however represent an obstacle to the development of most luminogens in the condensed phase. This is why particularly fascinating are those materials showing higher emission intensity in the solid state than in solution. Here we report on three 4-dialkylamino-2-benzylidene malonic acid dialkyl esters, very simple push-pull molecules, which are hardly emissive in solution and in the amorphous phase but become good emitters in the crystalline phase according to what has been indicated as crystallization induced emission (CIE). Thanks to combined emission and NMR spectroscopies at different temperatures on the prototype compound 4-dimethylamino-2-benzylidene malonic acid dimethyl ester in solution, we give full evidence that a restricted intramolecular rotation (RIR) phenomenon, in particular the hindered rotation around the aryl main axis of the compound, is at the origin of this behaviour. In addition, solid state photophysical and X-ray diffraction structural characterization allow us to identify J-dimeric interactions as responsible for the particularly intense emission of two of the three compounds. Moreover, by exploiting the compounds' acidochromic properties, applications in sensors and optoelectronics are envisaged.     

A Bus Driver Scheduling Problem: a?new mathematical model and a GRASP approximate solution

This paper addresses the problem of determining the best scheduling for Bus Drivers, a $\mathcal{NP}$ -hard problem consisting of finding the minimum number of drivers to cover a set of Pieces-Of-Work (POWs) subject to a variety of rules and regulations that must be enforced such as spreadover and working time. This problem is known in literature as Crew Scheduling Problem and, in particular in public transportation, it is designated as Bus Driver Scheduling Problem. We propose a new mathematical formulation of a Bus Driver Scheduling Problem under special constraints imposed by Italian transportation rules. Unfortunately, this model can only be usefully applied to small or medium size problem instances. For large instances, a Greedy Randomized Adaptive Search Procedure (GRASP) is proposed. Results are reported for a set of real-word problems and comparison is made with an exact method. Moreover, we report a comparison of the computational results obtained with our GRASP procedure with the results obtained by Huisman et al. (Transp. Sci. 39(4):491?C502, 2005).     

Finite element acoustic simulation based shape optimization of a muffler

This paper describes a methodology which combines finite element analysis and Zoutendijk’s feasible directions method for mufflers shape design. The main goal is to obtain the dimensions of the acoustic muffler with the transmission loss (TL), being maximized in the frequency range of interest. The improved four parameters method is used for TL evaluations and the Helmholtz’s equation is solved numerically with the finite element method (FEM). The quadratic triangular finite element meshes are adequately constructed to control the pollution error and the optimization problem is solved using the Zoutendijk’s feasible directions method due to robustness and efficiency for problems with nonlinear constraints. Numeric experiments performed with circular expansion chambers with extended inlet and outlet show results for constrained and unconstrained shape optimization.     

Methylation of 2-phenylamino-1,3,4-thiadiazole. A structure debated

The true identity of the 4-methyl-5-phenylimino-δ²-1,3,4-thiadiazoline (A) has been demonstrated. The reactions, previously reported in the literature to give A have been repeated and the structure of the compounds obtained has been established.     

A nonlinear programming algorithm for solving semidefinite programs via low-rank factorization

 In this paper, we present a nonlinear programming algorithm for solving semidefinite programs (SDPs) in standard form. The algorithm's distinguishing feature is a change of variables that replaces the symmetric, positive semidefinite variable X of the SDP with a rectangular variable R according to the factorization X=RR ^T . The rank of the factorization, i.e., the number of columns of R, is chosen minimally so as to enhance computational speed while maintaining equivalence with the SDP. Fundamental results concerning the convergence of the algorithm are derived, and encouraging computational results on some large-scale test problems are also presented. Received: March 22, 2001 / Accepted: August 30, 2002 Published online: December 9, 2002 Key Words. semidefinite programming – low-rank factorization – nonlinear programming – augmented Lagrangian – limited memory BFGS This research was supported in part by the National Science Foundation under grants CCR-9902010, INT-9910084, CCR-0203426 and CCR-0203113     

Algebraization of logics defined by literal‐paraconsistent or literal‐paracomplete matrices

We study the algebraizability of the logics constructed using literal‐paraconsistent and literal‐paracomplete matrices described by Lewin and Mikenberg in [11], proving that they are all algebraizable in the sense of Blok and Pigozzi in [3] but not finitely algebraizable. A characterization of the finitely algebraizable logics defined by LPP‐matrices is given. We also make an algebraic study of the equivalent algebraic semantics of the logics associated to the matrices ??³_2,2, ??³_2,1, ??³_1,1, ??³_1,3, and ??⁴ appearing in [11] proving that they are not varieties and finding the free algebra over one generator. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)