The loop product for 3-manifolds

Let M be a connected, closed, oriented and smooth manifold of dimension d. Let LM be the space of loops in M. Chas and Sullivan introduced the loop product, an associative product of degree ?d on the homology of LM. In this Note we aim at identifying 3-manifolds with “non-trivial” loop products. To cite this article: H. Abbaspour, C. R. Acad. Sci. Paris, Ser. I 338 (2004).     

QUASI-PERMUTATION REPRESENTATIONS OF ALTERNATING AND SYMMETRIC GROUPS

The quantities c(G), q(G) and p(G) for finite groups were defined by H. Behravesh. In this article, these quantities for the alternating group An and the symmetric group Sn are calculated. It is shown that c(G) = q(G)=p(G) = n, when G = An or Sn.     

Determination of accurate surface tensions of maleimide copolymers containing fluorinated side chain from contact angle measurements

Surface energetics of two fluorinated maleimide copolymers containing fluorinated side chain, i.e., poly(ethene-alt-N-(4-(perfluoroheptylcarbonyl)aminobutyl)maleimide) (ETMF) and poly(octadecene-alt-N-(4-(perfluoroheptylcarbonyl)aminobutyl)maleimide) (ODMF), are studied by contact angle measurements with 10 liquids consisting of fairly bulky molecules. Because of the inertness of octamethylcyclotetrasiloxane (OMCTS) and decamethylcyclopentasiloxane (DMCPS) molecules, their contact angles are used to determine the surface tension of the two polymers. It is found that other liquids show specific interactions with the ETMF films, and their contact angles deviate from a smooth curve that represents the surface tension of ETMF, i.e., 11.00 mJ/m². On ODMF surfaces, only OMCTS and DMCPS yield useful contact angles. Other liquids either dissolve the polymer film or show a slip-stick pattern. This finding is discussed in terms of interactions between segments of the polymer chains and the test liquids. OMCTS and DMCPS are suggested as the appropriate probe liquids, meeting specific criteria necessary for the determination of accurate surface tension of fluoropolymers.     

An algorithm and upper bounds for the weighted maximal planar graph problem

In this paper, we investigate the weighted maximal planar graph (WMPG) problem. Given a complete, edge-weighted, simple graph, the WMPG problem involves finding a subgraph with the highest sum of edge weights that is maximal planar, namely, it can be embedded in the plane without any of its edges intersecting, and no additional edge can be added to the subgraph without violating its planarity. We present a new integer linear programming (ILP) model for this problem. We then develop a cutting-plane algorithm to solve the WMPG problem based on the proposed ILP model. This algorithm enables the problem to be solved more efficiently than previously reported algorithms. New upper bounds are also provided, which are useful in evaluating the quality of heuristic solutions or in generating initial solutions for meta-heuristics. Computational results are reported for a set of 417 test instances of size varying from 6 to 100 nodes including 105 instances from the literature and 312 randomly generated instances. The computational results indicate that instances with up to 24 nodes can be solved optimally in reasonable computational time and the new upper bounds for larger instances significantly improve existing upper bounds.     

Coupled cluster,MP2, and DFT study of structures,stabilities, vibrations,and bonding properties of XXeOH (X = F,Cl, Br,and I)

The optimized geometries, molecular properties, and stabilities of new noble gas molecules, XXeOH (X = F, Cl, Br, and I), were studied using CCSD, MP2, CAM-B3LYP, and WB97XD methods and large basis sets. All XXeOH molecules showed equilibrium structures with Cs symmetry. The results also showed that some bonds in XXeOH could be presented as a typical ionic bond. An alteration in ion-pair character was observed for IXeOH, showing two OH ^? and IXe ⁺ parts, while in other molecules, they could be presented as XeOH ⁺ and X ^? . Two decomposition routes were proposed for these molecules that showed high exothermic reactions. However, despite their low thermodynamic stabilities, their decomposition rate constants were small and all molecules (except BrXeOH) had high kinetic stabilities, indicating the possibility for identification and characterization of these molecules. However, in addition to the calculation of their vibrational frequencies, NBO atomic charges, and hybridizations, the bonding properties of XXeOH molecules were studied by AIM calculations (to calculate electron densities, bond elipticities, and Laplacian of electron densities) and second-order intramolecular perturbation energies using NBO calculations. Moreover, the ease of formations and relative stabilities of XXeOH molecules were compared using heats of formations, Gibbs free energies of formations and isodesmic reactions. These calculations showed that the stability of XXeOH molecules was decreased from F to I.     

Theoretical study of H⋯P and X⋯P interactions of methylphosphines with HSX molecules

Ab initio calculations were used to analyze the interactions between thiohypohalous acids (HSX; X = F, Cl, Br, I) and methylphosphine derivatives (PH _n Me_3?n , n = 0–3) at the MP2/aug-cc-pVDZ level of theory. Interaction of HSX with PH _n Me_3?n leads to both hydrogen bond (HSX–PH _n Me_3?n –HB) as well as halogen bond (HSX–PH _n Me_3?n –XB) complexes. Stabilities of both HB and XB complexes increase with basicity of the phosphines. However, HB complexes of a phosphine molecule with different HSX have the same order of stabilities, but XB complexes of heavier thiohypohalous acids are more stable. Electron densities of complexes were characterized with the atoms in molecules methodology. The charge transfer within dimers was analyzed by means of natural bond orbitals.     

Theoretical study on the small carbon nano-ladders

1,3-Butadiyne, 1,3,5-hexatriyne, 1,3,5,7-octatetrayne, and 1,3,5,7,9-decapentayne are small oligomeric forms of acetylene. These oligomers participate in cyclization reactions to form ladder-like structures. Enthalpies, ?H, and Gibbs free energies, ?G, of the cyclization reactions were calculated employing MP2 and B3LYP methods. The calculated ?H and ?G were positive, and their variation versus carbon atoms number, n, was fitted in linear functions as ?H(n) = a+bn. The calculations were performed on the structures with carbon numbers up to 20. Also, consecutive cyclization reactions between acetylene molecules were studied. During these consecutive reactions, two different structures, zigzag-ladder-like and cyclic molecules with tetragonal rings, were produced. Among the cyclic structures, the hexagonal form was the most stable structure. The calculated ?H and ?G of formation of zigzag-ladder-like molecules were excellently fitted in linear functions. The obtained functions for ?H and ?G calculated by MP2 method are ?H(n) = 139.67?126.44n and ?G(n) = 80.987?75.684n, respectively.     

First Report of a Lipopeptide Biosurfactant from Thermophilic Bacterium Aneurinibacillus thermoaerophilus MK01 Newly Isolated from Municipal Landfill Site

A biosurfactant-producing thermophile was isolated from the Kahrizak landfill of Tehran and identified as a bacterium belonging to the genus Aneurinibacillus. A thermostable lipopeptide-type biosurfactant was purified from the culture medium of this bacterium and showed stability in the temperature range of 20–90 °C and pH range of 5–10. The produced biosurfactant could reduce the surface tension of water from 72 to 43 mN/m with a CMC of 1.21 mg/mL. The strain growing at a temperature of 45 °C produces a substantial amount of 5 g/L of biosurfactant in the medium supplemented with sunflower oil as the sole carbon source. Response surface methodology was employed to optimize the biosurfactant production using sunflower oil, sodium nitrate, and yeast extract as variables. The optimization resulted in 6.75 g/L biosurfactant production, i.e., 35 % improved as compared to the unoptimized condition. Thin-layer chromatography, FTIR spectroscopy, ¹H-NMR spectroscopy, and biochemical composition analysis confirmed the lipopeptide structure of the biosurfactant.     

Enhancement of Biogas Production by Co-digestion of Potato Pulp with Cow Manure in a CSTR System

Anaerobic digestion (AD) process is a well-established method to generate energy from the organic wastes both from the environmental and economical perspectives. The purpose of present study is to evaluate energy production from potato wastes by incorporating cow manure into the process. Firstly, a laboratory pilot of one-stage biogas production was designed and built according to continuously stirred tank reactor (CSTR) system. The setup was able to automatically control the environmental conditions of the process including temperature, duration, and rate of stirring. AD experiment was exclusively performed on co-digestion of potato peel (PP) and cow manure (CM) in three levels of mixing ratio including 20:80, 50:50, 80:20 (PP:CM), and 0:100 as control treatment based on the volatile solid (VS) weight without adding initial inoculums. After hydraulic retention time (HRT) of 50 days on average 193, 256, 348, and 149 norm liter (L_N) (kg VS)^?1, methane was produced for different mixing ratios, respectively. Statistical analysis shows that these gas productions are significantly different. The average energy was determined based on the produced methane which was about 2.8 kWh (kg VS)^?1, implying a significant energy production potential. The average chemical oxygen demand (COD) removal of treatments was about 61 %, showing that it can be leached significantly with high organic matter by the employed pilot. The energy efficiency of 92 % of the process also showed the optimum control of the process by the pilot.     

Adsorptive Removal of Thorium(IV) from Aqueous Solutions Using Synthesized Polyamidoxime Chelating Resin: Equilibrium,Kinetic, and Thermodynamic Studies

In this study, an amidoximated chelating ion exchange resin was prepared by poly-acrylonitrile (PAN) grafted potato starch. The adsorbent characterizations such as specific surface area, pore volume, average pore radius, and Fourier transform infrared (FTIR) spectrum of the resin were measured. The effects of pH, adsorbent dosage, contact time, initial concentration of thorium ion, and temperature on adsorption of thorium ion from aqueous solutions were investigated. Four isotherm models including Langmuir, Freundlich, Dubinin-Radushkevich, and Temkin were applied to analyze the equilibrium isotherm data. The results showed that Langmuir and Temkin models had a good agreement with experimental data. The maximum capacity of the adsorbent using the Langmuir isotherm model was 227.27 mg · g^?1. The kinetic models like pseudo-first-order, pseudo-second-order, Elovich, and intraparticle were examined to describe the adsorption process. The kinetics of the adsorption process was found to follow the pseudo-second-order kinetic model. The thermodynamic parameters (ΔG°, ΔH°, ΔS°) were also calculated using equilibrium constant values at various temperatures (25, 35, 45, 55°C) and the positive value for ΔH° showed an endothermic adsorption process. The study suggests that the prepared adsorbent has promising potential for the removal of thorium from wastewaters.