A multi-objective optimization approach for invasive species control

In this paper, we formulate and analyse a long-term multi-objective dynamic model for controlling invasive species. This optimization framework is then applied to the case of buffelgrass control in the Arizona desert. The proposed model simultaneously optimizes three objectives corresponding to three different valued and threatened resources including saguaros (a native cactus species), buildings and vegetation. The model is used to decide the optimal allocation of labour to these resources to control the population of the species in a multi-period planning horizon. The computational method to solve this problem is based on multi-objective integer programming.     

Profit maximization in flexible serial queueing networks

We analyze the tradeoff between efficiency and service quality in tandem systems with flexible servers and finite buffers. We reward efficiency by assuming that a revenue is earned each time a job is completed, and penalize poor service quality by incorporating positive holding costs. We study the dynamic assignment of servers to tasks with the objective of maximizing the long-run average profit. For systems of arbitrary size, structured service rates, and linear or nonlinear holding costs, we determine the server assignment policy that maximizes the profit. For systems with two stations, two servers with arbitrary service rates, and linear holding costs, we show that the optimal server assignment policy is of threshold type and determine the value of this threshold as a function of the revenue and holding cost. The threshold can be interpreted as the best possible buffer size, and hence our results prove the equivalence of addressing service quality via a holding cost and via limiting the buffer size. Furthermore, we identify the optimal buffer size when each buffer space comes at a cost. We provide numerical results that suggest that the optimal policy also has a threshold structure for nonlinear holding costs. Finally, for larger systems with arbitrary service rates, we propose effective server assignment heuristics.     

Investigation of phase equilibria of levulinic acid distribution between aqueous phase to organic phase by Aliquat 336 in different modifiers

The extraction of levulinic acid by tricaprylmethylammonium chloride (Aliquat 336) dissolved in five alcohols solvents (isoamyl alcohol, hexan-1-ol, octan-1-ol, nonan-1-ol, decan-1-ol) and five esters solvents (dimethyl phthalate, dimethyl adipate, dimethyl succinate, dimethyl glutarate, diethyl carbonate), two ketones (diisobutyl ketone (DIBK), methyl isobutyl ketone (MIBK)) were investigated to understand effect of modifier on levulinic acid extraction. In addition to these Aliquat 336 + modifier system, the experiments were done also with single solvents. All measurements were carried out T = 298.15 K. Organic solutions of Aliquat 336 are being used increasingly to separate organic acids from aqueous mixture solutions by reactive extraction. The extent to which the organic phase may be loaded with levulinic acid is explained as a loading ratio, Z_Z, extraction efficiency E and, distribution coefficients K_D were calculated. The maximum extraction efficiency was obtained value of 72.1 for isoamyl alcohol. The extraction equilibrium constant, K_E, has been calculated for each modifier. Furthermore, Freundlich, Langmuir, and LSER model equations have been obtained for experimental data of alcohols.     

Phosphorus–nitrogen compounds: part 16. Synthesis, stereogenism, anisochronism and the relationship between 31P NMR spectral and crystallographic data of monotopic spiro-crypta phosphazene derivatives

The condensation reactions of N₂O₃-donor type coronands (1–3) with hexachlorocyclotriphosphazatriene, N₃P₃Cl₆, resulted in the formation of spiro-crypta phosphazene derivatives (4–6). These compounds with excess morpholine and 1,4-dioxa-8-azaspiro[4,5]decane (DASD) afford fully substituted morpholino (7 and 10) and 1,4-dioxa-8-azaspiro[4,5]deca (8)-substituted phosphazene derivatives, respectively. Whilst, in the same conditions, the reactions of 4, 5 and 6 with pyrrolidine, morpholine and DASD also produce partially pyrrolidino-substituted geminal (9 and 11), mono-substituted pyrrolidino (12), morpholino (13) and 1,4-dioxa-8-azaspiro[4,5]deca (14) phosphazenes. It has been clearly observed that the chloride replacement reactions of 4, 5 and 6 with pyrrolidine lead to the geminal products. Compounds 7, 8 and 10 are the first examples of anisochronic tetrakis (amino) phosphazenes according to ³¹P NMR data. The structures of 7, 8 and 10–14 have been determined by FTIR, MS, ¹H, ¹³C and ³¹P NMR, DEPT, and HETCOR spectral data. The solid-state structures of 9, 13 and 14 have been examined by X-ray diffraction techniques. The sums of the bond angles around the spiro cyclic nitrogen atoms [344.8(4)° and 347.6(4)°] of 9, indicate that the nitrogen atoms have pyramidal geometries. Thus, the N atoms seem to have stereogenic configurations. Compounds 12–14 also have two stereogenic P-atoms, and they are expected to be in the mixture of enantiomers. The relationships between NPN (α and α′) bond angles and δP_spiro values and the correlation of Δ(P–N) with δP_spiro and Δ(δP) values are presented.     

Phosphorus–nitrogen compounds: Part 19. Syntheses,structural and electrochemical investigations,biological activities,and DNA interactions of new spirocyclic monoferrocenylcyclotriphosphazenes

The reactions of hexachlorocyclotriphosphazatriene, N₃P₃Cl₆, with N-alkyl-N-ferrocenylmethylethylene diamines, FcCH₂NH(CH₂)₂NHR₁ [R₁ = Me (1) and Et (2)], and sodium [3-(N-ferrocenylmethylamino)-1-propanoxide] (3) produce spirocyclic monoferrocenyl tetrachlorophosphazenes (1a–3a). The tetrapyrrolidinophosphazenes (1b–3b) are prepared from the reactions of corresponding phosphazenes (1a–3a) with excess pyrrolidine. The reaction of 1a with excess morpholine affords geminal-morpholino phosphazene (1c), whilst the reactions of 2a and 3a give diethylaminotrimorpholino (2c) and fully substituted morpholino products (3c), respectively. The structural investigations of the compounds are examined by Fourier transform IR, MS, ¹H, ¹³C, ³¹P NMR, DEPT, HETCOR, and HMBC techniques. The crystal structures of 3b and 3c are determined using X-ray crystallography. Cyclic voltammetric and chronoamperometric data show that compounds 1a–3a, 1b–3b, and 1c–3c exhibit electrochemically reversible one-electron oxidation of Fc redox centers which are hardly affected by the substituents on the phosphazene ring. The compounds 1b, 2b, 3b, and 3c are screened for antibacterial activities against Gram-positive and Gram-negative bacteria and for antifungal activities against yeast strains. In addition, the antituberculosis activities (in vitro) of these compounds are evaluated against INH-susceptible reference strain M. tuberculosis H37Rv, and six multi-drug resistant clinical M. tuberculosis isolates. Compound 2b is found to be the most active against the susceptible the reference strain. In addition, 1b, 2b, and 3c are active against all the multidrug-resistant clinical isolates at the highest concentrations. Gel electrophoresis data indicate that the compounds promote the formation of strand breaks in plasmid DNA. Almost all the concentrations lost of supercoiled DNA suggests that the compound 3b is very efficient plasmid-modifier. The compounds inhibit BamHI cleavage of pUC18 DNA while restricting HindIII.     

The synthesis of some new imidazole and triazole derivatives: crystal Structure and DFT-TDDFT investigation on electronic structure

A series of new N′-3-(1H-imidazol-1-yl)propylcarbamoyl-4-halogenebenzo hydrazonate (3a–b) were obtained by reaction Ethyl 2-((4-halogene phenyl) (ethoxy) methylene) hydrazinecarboxylate (1) and N-(3-aminopropyl)imidazole (2) at 120–140 °C. Compounds (4a–b) were obtained by the reaction compound 1 and N-(3-aminopropyl)imidazole (2) at 160–180 °C. The structures of compounds 3,4 have been inferred through UV–Vis, IR, ¹H/¹³C NMR, mass spectrometry, elemental analyses, and X-ray crystallography. DFT level 6-31G (d) calculations provided structural information. The electronic structure of compound 3a has been studied by DFT level 6-31G (d) calculations using the X-ray data. The results are accordance with X-ray data.     

Synthesis and characterization of new metal-free and metallophthalocyanines fused α-methylferrocenylmethoxy units

Synthesis of metal-free and metallophthalocyanines bearing α-methylferrocenylmethoxy units was described. Precursor 3 required for the preparation of phthalocyanines 4–9, was synthsized by the nucleophilic aromatic substitution reaction between α-methylferrocenylmethanol and 4-nitrophthalonitrile in dry DMF. The metal-free phthalocyanine 4 was prepared from 4-(α-methylferrocenylmethoxy)phthalonitrile 3 in 1-pentanol with a catalytic amount of 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU). Metallophthalocyanines (M = Zn, Cu, Co, Ni and Pb) were prepared by cyclotetramerization reaction of phthalonitrile with appropriate materials. The phthalonitrile, metal-free and metallophthalocyanines were characterized by ¹H and ¹³C NMR, FT-IR UV–Vis and mass spectral data, as well as elemental analyses, which were consistent with the proposed structures.     

Study on cloud points of Triton X-100-cationic gemini surfactants mixtures: A spectroscopic approach

This study investigates the effects of various cationic surfactants on the cloud point (CP) of the nonionic surfactant Triton X-100 (TX-100) in aqueous solutions. Instead of visual observation, a spectrophotometer was used for measurement of the cloud point temperatures. The values of CPs for Triton X-100 can be measured directly because TX-100 has an average number of oxyethylene units per molecule of p ≈ 9.5 and a CP = 66.0 °C. Quaternary ammonium dimeric surfactants (m-s-m, m = 10, 12, and 16, and s = 2, 6, and 10) were synthesized and used. The melting temperature T_M and the Krafft temperature T_K were measured for 1 wt% aqueous solutions of these synthesized surfactants. The melting temperature of the solid gemini surfactants increased with the carbon number of the alkyl chain. The results showed that additions of the gemini surfactants (which are infinitely miscible with water) to Triton X-100 increased the cloud point of the TX-100 solutions. All salts tested in these studies had a large effect on the CPs of nonionic surfactants due to their effect on water structure and their hydrophilicity. The effect of the alkyl chain length of the gemini surfactant on the CP of Triton X-100 is therefore more important than the spacer chain length.