Tight bounds on the chromatic sum of a connected graph

The chromatic sum of a graph is introduced in the dissertation of Ewa Kubicka. It is the smallest possible total among all proper colorings of G using natural numbers. In this article we determine tight bounds on the chromatic sum of a connected graph with e edges.     

A new characterization ofA p wherep andp − 2 are primes

Based on the prime graph of a finite simple group, its order is the product of its order components (see [4]). It is known that Suzuki-Ree groups [6],PSL ₂(q) [8] andE ₈(q) [7] are uniquely determined by their order components. In this paper we prove that the simple groupsA _p are also uniquely determined by their order components, wherep andp − 2 are primes.     

Magnetic Fe3O4/SiO2/NH2 As the Recyclable Heterogeneous Nanocatalyst on Bisphenol-A Recovery from Polycarbonate Wastes

Polycarbonate (PC) wastes received from optical (CDs) and digital optical discs (DVDs) were chemical recycled by using diethylene glycol (DEG) and water as an alternative green solvents and magnetite nanomaterials coated with amine modified silica nanoshell (Fe₃O₄/SiO₂/NH₂) as the recyclable heterogeneous catalyst to recover bisphenol-A (BPA) as a valuable material in 100% yield and without using harmful reagent and environmental problems. The nano-magnetic heterogeneous catalyst can be recycled for four cycles and used next reaction. The recovered BPA and nanomaterials were examined with transmission electron microscopy (TEM), thermogravimetric analysis (TGA), X-ray powder diffraction (XRD), and spectroscopic methods (¹H NMR, ¹³C NMR, FTIR).

     

Species-Related Difference to Noise Reduction Between Trees in Urban Forest: The Abidar Forest Park (Case Study)

Sound pollution is one of the most important urban problems which endangers mental and physical health of the residents. This study was aimed to assess the influence of different tree species, including Fraxinus rotundifolia, Robinia pseudoacacia, Platanus orientalis, Platycladus orientalis, and Pinus eldarica, in reducing noise pollution in the Abidar Forest Park. A further objective was to identify the contaminated areas of Sanandaj city and to propose suitable noise absorbent tree species in consistent conditions. For each tree stands the noise measurements were performed during intervals at frequencies of 250, 500 and 1000 Hz, besides an open area with the same topography. With regards to the second purpose, a total of 50 stations with residential, commercial, residentialcommercial, and green space applications were selected across the city. Equivalent Continuous Sound Pressure Level (Leq) was determined in five replicates for 30 min. The measurements were performed under stable weather conditions and low wind velocity at 17:00 (traffic peak) in summer and fall. All of the Leq values were above the threshold noise level. The highest noise reduction was recorded in summer (i.e., green season); Platanus and Platycladus species demonstrated the highest and lowest noise absorption (31.43 dB and 22.28 dB, respectively). Furthermore, a meaningful difference was observed between Leq values of commercial, residential, commercial-residential, and green space urban applications, and the central parts of the city showed noticeable noise pollution. Taken together, due to being exposed to higher than the acceptable threshold noise level, the residents of Sanandaj will be endangered to health problems in the near future; thus consideration should be given to the noise pollution sources.     

An equation of state contribution for dipolar and quadrupolar square-well fluids

A dipolar–quadrupolar contribution to the residual Helmholtz energy for a polar square well (a square well plus either a point dipole or a point quadrupole) fluid is developed based on the Padé approximation. Taking the square well system as reference, the contribution is formulated using an expansion for radial distribution function of the reference system. In addition to square well potential parameters the contribution depends only on dipole and quadrupole moments. This term is added as perturbation to a generalized equation of state for square well fluids. The results are then compared with the available simulation data in the literature. With the new equation obtained, it was possible to predict liquid–vapour equilibrium properties and critical properties of polar square well fluids more accurately than with available perturbation theories for multipolar square well systems. Application of the equation of state to a real dipolar (water) and a real quadrupolar (carbon dioxide) fluid indicated that the polar contribution greatly improved the predictions of saturation properties. Accurate prediction of critical properties for polar square well fluids remains as a challenge. This work can be useful in the development of better equations of state.     

Effect of small cage guests on hydrogen bonding of tetrahydrofuran in binary structure II clathrate hydrates

Molecular dynamics simulations of the pure structure II tetrahydrofuran clathrate hydrate and binary structure II tetrahydrofuran clathrate hydrate with CO(2), CH(4), H(2)S, and Xe small cage guests are performed to study the effect of the shape, size, and intermolecular forces of the small cages guests on the structure and dynamics of the hydrate. The simulations show that the number and nature of the guest in the small cage affects the probability of hydrogen bonding of the tetrahydrofuran guest with the large cage water molecules. The effect on hydrogen bonding of tetrahydrofuran occurs despite the fact that the guests in the small cage do not themselves form hydrogen bonds with water. These results indicate that nearest neighbour guest-guest interactions (mediated through the water lattice framework) can affect the clathrate structure and stability. The implications of these subtle small guest effects on clathrate hydrate stability are discussed.     

Symmetric halogen bonding is preferred in solution

Halogen bonding is a recently rediscovered secondary interaction that shows potential to become a complementary molecular tool to hydrogen bonding in rational drug design and in material sciences. Whereas hydrogen bond symmetry has been the subject of systematic studies for decades, the understanding of the analogous three-center halogen bonds is yet in its infancy. The isotopic perturbation of equilibrium (IPE) technique with (13)C NMR detection was applied to regioselectively deuterated pyridine complexes to investigate the symmetry of [N-I-N](+) and [N-Br-N](+) halogen bonding in solution. Preference for a symmetric arrangement was observed for both a freely adjustable and for a conformationally restricted [N-X-N](+) model system, as also confirmed by computation on the DFT level. A closely attached counterion is shown to be compatible with the preferred symmetric arrangement. The experimental observations and computational predictions reveal a high energetic gain upon formation of symmetric, three-center four-electron halogen bonding. Whereas hydrogen bonds are generally asymmetric in solution and symmetric in the crystalline state, the analogous bromine and iodine centered halogen bonds prefer symmetric arrangement in solution.     

Investigation into the potential ability of Pickering emulsions (food-grade particles) to enhance the oxidative stability of oil-in-water emulsions

In this study the potential ability of food-grade particles (at the droplet interface) to enhance the oxidative stability was investigated. Sunflower oil-in-water emulsions (20%), stabilised solely by food-grade particles (Microcrystalline cellulose (MCC) and modified starch (MS)), were produced under different processing conditions and their physicochemical properties were studied over time. Data on droplet size, surface charge, creaming index and oxidative stability were obtained. Increasing the food-grade particle concentration from 0.1% to 2.5% was found to decrease droplet size, enhance the physical stability of emulsions and reduce the lipid oxidation rate due to the formation of a thicker interfacial layer around the oil droplets. It was further shown that, MCC particles were able to reduce the lipid oxidation rate more effectively than MS particles. This was attributed to their ability to scavenge free radicals, through their negative charge, and form thicker interfacial layers around oil droplets due to the particles size differences. The present study demonstrates that the manipulation of emulsions' interfacial microstructure, based on the formation of a thick interface around the oil droplets by food-grade particles (Pickering emulsions), is an effective approach to slow down lipid oxidation.