Maximally diverse grouping: an iterated tabu search approach

The maximally diverse grouping problem (MDGP) consists of finding a partition of a set of elements into a given number of mutually disjoint groups, while respecting the requirements of group size constraints and diversity. In this paper, we propose an iterated tabu search (ITS) algorithm for solving this problem. We report computational results on three sets of benchmark MDGP instances of size up to 960 elements and provide comparisons of ITS to five state-of-the-art heuristic methods from the literature. The results demonstrate the superiority of the ITS algorithm over alternative approaches. The source code of the algorithm is available for free download via the internet.     

Unusual hydrate stabilization in the two‐dimensional layered structure of quinacrinium bis(2‐carboxy‐4,5‐dichlorobenzoate) tetrahydrate,a proton‐transfer compound of the drug quinacrine

The crystal structure of the hydrated proton‐transfer compound of the drug quinacrine [rac‐N′‐(6‐chloro‐2‐methoxyacridin‐9‐yl)‐N,N‐diethylpentane‐1,4‐diamine] with 4,5‐dichlorophthalic acid, C₂₃H₃₂ClN₃O²⁺·2C₈H₃Cl₂O₄⁻·4H₂O, has been determined at 200 K. The four labile water molecules of solvation in the structure form discrete ...O—H...O—H... hydrogen‐bonded chains parallel to the quinacrine side chain, the two N—H groups of which act as hydrogen‐bond donors for two of the water acceptor molecules. The other water molecules, as well as the acridinium H atom, also form hydrogen bonds with the two anion species and extend the structure into two‐dimensional sheets. Between these sheets there are also weak cation–anion and anion–anion π–π aromatic ring interactions. This structure represents the third example of a simple quinacrine derivative for which structural data are available but differs from the other two in that it is unstable in the X‐ray beam due to efflorescence, probably associated with the destruction of the unusual four‐membered water chain structures.     

Hydrogen Bonding in Proton-Transfer Compounds of 5-Sulfosalicylic Acid with a Series of Aliphatic Nitrogen Lewis Bases

Abstract  

The crystal structures of the proton-transfer compounds of 5-sulfosalicylic acid (3-carboxy-4-hydroxybenzenesulfonic acid) with the aliphatic nitrogen Lewis bases, hydroxylamine, triethylamine, pyrrolidine, morpholine, N-methylmorpholine and piperazine, viz. hydroxyammonium 3-carboxy-4-hydroxybenzenesulfonate (1), triethylaminium 3-carboxy-4-hydroxybenzenesulfonate (2), pyrrolidinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate (3), morpholinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate (4), N-methylmorpholinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate (5) and piperazine-1,4-diium bis(3-carboxy-4-hydroxybenzenesulfonate) hexahydrate (6) have been determined and their comparative structural features and hydrogen-bonding patterns described. Crystals of 4 are triclinic, space group P-1 while the remainder are monoclinic with space group either P2₁/c (1–3) or P2₁/n (5, 6). Unit cell dimensions and contents are: for 1, a = 5.0156(3), b = 10.5738(6), c = 18.4785(9) ?, β = 96.412(5)^o, Z = 4; for 2, a = 8.4998(4), b = 12.3832(6), c = 15.4875(9) ?, β = 102.411(5)^o, Z = 4; for 3, a = 6.8755(2), b = 15.5217(4), c = 12.8335(3) ?, β = 92.074(2)^o, Z = 4; for 4, a = 6.8397(2), b = 12.9756(5), c = 15.8216(6) ?, α = 90.833(3), β = 95.949(3), γ = 92.505(3)^o, Z = 4; for 5, a = 7.0529(3), b = 13.8487(7), c = 15.6448(6) ?, β = 90.190(6)^o, Z = 4; for 6, a = 7.0561(2), b = 15.9311(4), c = 12.2102(3) ?, β = 100.858(3)^o, Z = 2. The hydrogen bonding generates structures which are either two-dimensional (2 and 5) or three-dimensional (1, 3 , 4 and 6). Compound 6 represents the third reported structure of a salt of 5-sulfosalicylic acid having a dicationic piperazine species.     

Characterization of Plasma Polymerized Hexamethyldisiloxane Films Prepared by Arc Discharge

Herein, we present a simple method for fabricating plasma polymerized hexamethyldisiloxane films (pp-HMDSO) possessing superhydrophobic characteristics via arc discharge. The pp-HMDSO films were deposited on a soda–lime–silica float glass using HMDSO monomer vapor as a precursor. A detailed surface characterization was performed using scanning electron microscopy and atomic force microscopy. The growth process of the pp-HMDSO films was investigated as a function of deposition time from 30 to 300 s. The non-wetting characteristics of the pp-HMDSO films were evaluated by means of contact angle (CA) measurements and correlated with the morphological characteristics, as obtained from microscopy measurements. The deposited films were found to be nano-structured and exhibited dual-scale roughness with the static CA values close to 170°. Fourier transform infrared spectroscopy analysis was carried out to investigate chemical and functional properties of these films. Methyl groups were identified spectroscopically to be present within the pp-HMDSO films and were proposed to result in the low surface energy of material. The synergy between the dual-scale roughness and low surface energy resulted in the superhydrophobic characteristics of the pp-HMDSO films. A possible mechanism for the pp-HMDSO film formation is proposed.     

Calibrated Estimators of the Population Covariance

We introduce some calibrated estimators of a finite-population covariance. The estimators are defined by using different calibration equations and different loss functions. The estimators derived are compared by simulation. The study is supported by the Nordplus Neighbour program of the Nordic Council of Ministers.     

Development of a new ultrasonic actuator based on Langevin bending transducer

A new ultrasonic actuator based on a bending-type Langevin piezoelectric transducer has been developed. An actuator consists of a half-wavelength Langevin transducer and an aluminum plate that is mounted in the middle of the transducer. The driving tip is located at the bottom of the aluminum plate. Piezoceramic rings with opposite polarity within each half of the ring are divided into two groups. Two harmonic signals with shifted phases by π/2 are used to excite the first bending mode of the Langevin transducer and aluminum plate. Elliptical trajectory of the contact point motion is obtained by combining these two bending modes. Numerical modelling was carried out to analyze harmonic response of the actuator and to investigate the trajectories of the contact point motion. Optimization of the aluminum plate design was performed to maximize the parameters of elliptical motion of the driving tip. A prototype actuator was fabricated, and output characteristics were measured. The results of numerical and experimental study are discussed.