Intramolecular cyclization of <Emphasis Type="Italic">N</Emphasis>-propargyl anilines: a new synthetic entry into highly substituted indoles

Indole derivatives are an important class of heterocycle found in a large number of natural products and synthetic pharmaceuticals. Given the low cost and easy availability of N-propargyl anilines, synthesis of indole cores from these versatile structural motifs has attracted a lot of attention in the past decade. In this review, we summarize the most representative and interesting reports on this rapidly advancing area, with special emphasis on mechanistic aspects of the reactions.     

Resource allocation based on cost efficiency

In this paper, we consider a resource allocation (RA) problem and develop an approach based on cost (overall) efficiency. The aim is to allocate some inputs among decision making units (DMUs) in such way that their cost efficiencies improve or stay unchanged after RA. We formulate a multi-objective linear programming problem using two different strategies. First, we propose an RA model which keeps the cost efficiencies of units unchanged. This is done assuming fixed technical and allocative efficiencies. The approach is based on the assumption that the decision maker (DM) may not have big changes in the structure of DMUs within a short term. The second strategy does not impose any restrictions on technical and allocative efficiencies. It guarantees that none of the cost efficiencies of DMUs get worse after RA, and the improvement for units is possible if it is feasible and beneficial. Two numerical examples and an empirical illustration are also provided.     

Capture of the complex [Ni(dto)2]2- (dto2- = dithiooxalato ligand) in a Mo12 ring: synthesis, characterizations, and application toward the reduction of protons

The encapsulation of the complex [Ni(dto)(2)](2-) within an oxothiododecamolybdic cyclic cluster has been investigated. The resulting molybdenum ring, [Mo(12)O(12)S(12)(OH)(12)(Ni(dto)(2))](2-), corresponds to the first example of the {Mo(2)O(2)S(2)}-based assembly arranged around a 3d transition-metal complex. It was unambiguously characterized in the solid state and in solution by FT-IR spectroscopy, single-crystal X-ray diffraction, NMR, UV-visible spectroscopy, and electrospray ionization-high-resolution mass spectrometry (ESI-HRMS). The latter technique revealed to be a powerful tool for the characterization of templated molybdenum ring systems in solution and gave excellent results in high resolution. The electronic spectrum of [Mo(12)O(12)S(12)(OH)(12)(Ni(dto)(2))](2-) evidenced a strong red shift of the LMCT bands attributed to the complex [Ni(dto)(2)](2-), suggesting significant variations of the electronic properties upon its encapsulation within the Mo(12) ring. These differences were demonstrated by electrochemical studies in CH(3)CN, which also revealed, for both compounds [Ni(dto)(2)](2-) and [Mo(12)O(12)S(12)(OH)(12)(Ni(dto)(2))](2-), electrocatalytic properties for the reduction of protons. These results evidence the ability of dithioxalato complexes to act as electrocatalysts for the hydrogen evolution reaction (HER) and confirm such a property for oxothiomolybdenum rings.     

Spectroscopic, structure and antimicrobial activity of new Y(III) and Zr(IV) ciprofloxacin

The preparation and characterization of the new solid complexes [Y(CIP)2(H2O)2]Cl(3)·10H2O and [ZrO(CIP)2Cl]Cl·15H2O formed in the reaction of ciprofloxacin (CIP) with YCl3 and ZrOCl(2)·8H2O in ethanol and methanol, respectively, at room temperature were reported. The isolated complexes have been characterized with elemental analysis, IR spectroscopy, conductance measurements, UV-vis and 1H NMR spectroscopic methods and thermal analyses. The results support the formation of the complexes and indicate that ciprofloxacin reacts as a bidentate ligand bound to the metal ion through the pyridone oxygen and one carboxylato oxygen. The activation energies, E*; entropies, ΔS*; enthalpies, ΔH*; Gibbs free energies, ΔG*, of the thermal decomposition reactions have been derived from thermogravimetric (TGA) and differential thermogravimetric (DTG) curves, using Coats-Redfern and Horowitz-Metzeger methods. The proposed structure of the two complexes was detected by using the density functional theory (DFT) at the B3LYP/CEP-31G level of theory. The ligand as well as their metal complexes was also evaluated for their antibacterial activity against several bacterial species, such as Staphylococcus aureus (S. aureus), Escherichia coli (E. coli) and Pseudomonas aeruginosa (P. aeruginosa) and antifungal screening was studied against two species (Penicillium (P. rotatum) and Trichoderma (T. sp.)). This study showed that the metal complexes are more antibacterial as compared to free ligand and no antifungal activity observed for ligand and their complexes.     

Water Pollution Threat to the Environment by a Urea Plant

Disposal of untreated industrial effluents is drastically deteriorating the quality of underground water. Research work has been conducted to analyze the effect of disposal of urea plant effluent on the quality of ground water of the District Mianwali Daudkhail, Pakistan. For this purpose the effluent and ground water samples were analyzed for pH, TDS, TSS, Cl, F, COD, BOD, Fe, Zn, Pb, Cu, Cr, Cd, Mn, and As. Results obtained were compared with WHO and NEQS standards for drinking and effluent emission limits, respectively. Moreover, effluent samples were also evaluated for irrigation purposes and results compared with criteria recommended for irrigation water. Results showed though the effluents were according to the standards given by National Environmental Quality Standards (NEQS) for liquid emission and fit for irrigation purposes, the quality of underground water was below standard due to having a higher quantity of total dissolved solids than permissible.     

New concepts in neutrosophic graphs with application

A neutrosophic set is a generalization of an intuitionistic fuzzy set. Neutrosophic models give more flexibility, precisions and compatibility to the system as compared to intuitionistic fuzzy models. In this research study, we apply the concept of neutrosophic sets to graphs and discuss certain concepts of single-valued neutrosophic graphs. We illustrate the concepts by several examples. We investigate some interesting properties. We describe an application of single-valued neutrosophic graph in decision making process. We also present the procedure of our proposed method as an algorithm.     

Novel applications of bipolar fuzzy graphs to decision making problems

Zhang introduced the concept of bipolar fuzzy sets as a generalization of fuzzy sets. Bipolar fuzzy sets have shown advantages in solving decision making problems than fuzzy sets. In this research paper, we study several different types of domination, including equitable domination, k-domination and restrained domination in bipolar fuzzy graphs. We present novel applications of bipolar fuzzy graphs to decision making problems. We also present an algorithm for computing dominating number in our applications.     

Families of multiresolution and wavelet spaces with optimal properties

Under suitable conditions, if the scaling functions ?₁ and ?₂ generate the multiresolutions V _(j)(?₁) and V _(j)(?₂), then their convolution ?₁*?₂also generates a multiresolution V _(j)(?₁*?₂) More over, if p is an appropriate convolution operator from l ₂ into itself and if ? is a scaling function generating the multiresolution V _(j)(?),then p*?is a scaling function generating the same multiresolution V _(j)(?)=V _(j)(p*?). Using these two properties, we group the scaling and wavelet functions into equivalent classes and consider various equivalent basis functions of the associated function spaces We use the n-fold convolution product to construct sequences of multiresolution and wavelet spaces V _(j)(?ⁿ) and W _(j)(?ⁿ) with increasing regularity. We discuss the link between multiresolution analysis and Shannon's sampling theory. We then show that the interpolating and orthogonal pre- and post-filters associated with the multiresolution sequence V ₍₀₎(?ⁿ)asymptotically converge to the ideal lowpass filter of Shannon. We also prove that the filters associated with the sequence of wavelet spaces W ₍₀₎(?ⁿ)convergeto the ideal bandpass filter. Finally, we construct the basic wavelet sequences ψ ^b _nand show that they tend to Gabor functions. Thisprovides wavelets that are nearly time-frequency optimal. The theory is illustrated with the example of polynomial splines.