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.     

Novel tacrine-based acetylcholinesterase inhibitors as potential agents for the treatment of Alzheimer’s disease: Quinolotacrine hybrids

A new series of quinolotacrine hybrids including cyclopenta- and cyclohexa-quinolotacrine derivatives were designed, synthesized, and assessed as anti-cholinesterase (ChE) agents. The designed derivatives indicated higher inhibitory effect on the acetylcholinesterase (AChE) with IC₅₀ values of 0.285–100 µM compared to butyrylcholinesterase (BChE) with IC₅₀ values of?>?100 µM. Of these compounds, cyclohexa-quinolotacrine hybrids displayed a little better anti-AChE activity than cyclopenta-quinolotacrine hybrids. Compound 8-amino-7-(3-hydroxyphenyl)-5,7,9,10,11,12-hexahydro-6H-pyrano[2,3-b:5,6-c'] diquinolin-6-one (6m) including 3-hydroxyphenyl and cyclohexane ring moieties exhibited the best AChE inhibitory activity with IC₅₀ value of 0.285 µM. The kinetic and molecular docking studies indicated that compound 6m occupied both the catalytic anionic site (CAS) and peripheral anionic site (PAS) of AChE as a mixed inhibitor. Using neuroprotective assay against H₂O₂-induced cell death in PC12 cells, the compound 6h illustrated significant protection among the assessed compounds. In silico ADME studies estimated good drug-likeness for the designed compounds. As a result, these quinolotacrine hybrids can be very encouraging AChE inhibitors to treat Alzheimer’s disease.

Graphic abstract

A novel series of quinolotacrine hybrids were designed, synthesized, and evaluated against AChE and BChE enzymes as potential agents for the treatment of AD. The hybrids showed good to significant inhibitory activity against AChE (0.285–100 μM) compared to butyrylcholinesterase (BChE) with IC₅₀ values of?>?100 μM. Among them, compound 8-amino-7-(3-hydroxyphenyl)-5,7,9,10,11,12-hexahydro-6H-pyrano[2,3-b:5,6-c′] diquinolin-6-one (6 m) bearing 3-hydroxyphenyl moiety and cyclohexane ring exhibited the highest anti-AChE activity with IC₅₀ value of 0.285 μM. The kinetic and molecular docking studies illustrated that compound 6 m is a mixed inhibitor and binds to both the catalytic anionic site (CAS) and peripheral anionic site (PAS) of AChE.

     

Phase transition in a self-gravitating planar gas

We consider a gas of Newtonian self-gravitating particles in two-dimensional space, finding a phase transition, with a high temperature homogeneous phase and a low temperature clumped one. We argue that the system is described in terms of a gas with fractal behaviour.     

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.     

New Pool Boiling Heat Transfer in the Presence of Low-Frequency Vibrations Into a Vertical Cylindrical Heat Source

A vertical cylinder was applied as a heat source into a water pool; the vibrations were imposed into the heater with different heat fluxes, and the frequencies were adjusted at 10, 15, 20, and 25 Hz. An imaging system was employed to observe the produced bubbles around the cylindrical heat source. The results showed that the boiling heat transfer was enhanced under the vibrations with a shorter transient process, and the wall temperature also decreased. The best enhancement ratio was achieved at the frequency of 25 Hz and a heat flux value of 30 kW/m² as a consequence of imposed vibrations.     

Smarandache Vertices of the Graphs Associated to the Commutative Rings

Let R be a commutative ring with identity 1 ≠ 0. A nonzero element a in R is said to be a Smarandache zero-divisor if there exist three different nonzero elements x, y, and b (≠ a) in R such that ax = ab = by = 0, but xy ≠ 0. We will generalize this notion to the Smarandache vertex of an arbitrary simple graph and characterize the Smarandache zero-divisors of commutative rings (resp. with respect to an ideal) via their associated zero-divisor graphs. We illustrate them with examples and prove some interesting results about them.     

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.