Design of a new palladium(ii) halide complex as a bio-active material: synthesis, physico-chemical studies, DFT-computations and evaluation of anti-inflammatory, antioxidant and anti-gastric damage activities.

Colorless single crystals of the zero-dimensional hybrid compound, (C6H10N2)2[PdCl6]·2H2O were acquired through the slow evaporation technique. The crystal structure was explored using SC-XRD, which demonstrates that the material crystallizes in the centrosymmetric space group P1̄ of the triclinic system. The density functional theory method at the B3LYP/Lan2mb basis set level was employed to establish the optimized geometry and vibrational frequencies of the title compound. An acceptable correspondence was observed between the results obtained through calculation and the experimental data, including the structure, and IR spectra. The optical characteristics revealed a direct band gap energy of 2.35 eV, validating the semiconductor characteristics of this new material. The results suggest strong agreement with the experimental data and validate the involvement of metal orbitals in defining the HOMO-LUMO boundary. Simultaneous TGA-DTA shows that this material remains solid up to 210 °C. Beyond these temperatures, a gradual decomposition process occurs, extending up to 440 °C and unfolding in several steps. This process entails the liberation of diverse compounds, encompassing organic molecules, and the evaporation of chlorine ions, ultimately leading to the formation of palladium oxide (PdO) as the final product. When given to rats with gastric ulcers at a dose of 100 mg kg-1, these compounds inhibit the key enzyme responsible for neutrophil infiltration as myeloperoxidase (MPO) by 38.7%. The compound also alleviates cellular damage induced by free radicals, demonstrated by a notable 48.3% decrease in thiobarbituric acid reactive substance rates (TBARS) compared to untreated rats. Additionally, these compounds bring about a substantial 30.6% reduction in the surface area of ulcers.

Exact solutions for nonlinear partial differential equations via a fusion of classical methods and innovative approaches.

This paper presents a new approach for finding exact solutions to certain classes of nonlinear partial differential equations (NLPDEs) by combining the variation of parameters method with classical techniques such as the method of characteristics. Our primary focus is on NLPDEs of the form u tt + a ( x , t ) u xt + b ( t ) u t = α ( x , t ) + G ( u ) ( u t + a ( x , t ) u x ) e - ∫ b ( t ) d t and u t m ( u tt + a ( x , t ) u xt ) + b ( t ) u t m + 1 = e - ( m + 1 ) ∫ b ( t ) d t ( u t + a ( x , t ) u x ) F ( u , u t e ∫ b ( t ) d t ) . We provide numerical validation through several examples to ensure accuracy and reliability. Our approach enhances the applicability of analytical solution methods for a broader range of NLPDEs.

Antiplatelet activity and toxicity profile of novel phosphonium salts derived from Michael reaction.

In this work, five novel phosphonium salts derived from the Michael reaction were screened for their antiplatelet activity. Our findings revealed that compounds 2a, 2b, 2c, and 2d significantly inhibit platelet aggregation triggered by ADP or collagen (P < 0.001). Notably, compound 2c inhibited the arachidonic acid pathway (P < 0.001). Moreover, the selected compounds reduce CD62-P expression and inhibit GPIIb/IIIa activation. The interactions of the active compounds with their targets, ADP and collagen receptors, P2Y12 and GPVI respectively were investigated in silico using molecular docking studies. The results revealed a strong affinity of the active compounds for P2Y12 and GPVI. Additionally, cytotoxicity assays on platelets, erythrocytes, and human embryonic kidney HEK293 cells showed that compounds 2a, 2c and 2d were non-toxic even at high concentrations. In summary, our study shows that phosphonium salts can have strong antiplatelet power and suggests that compounds 2a, 2c and 2d could be promising antiplatelet agents for the management of cardiovascular diseases.

Phosphorus-substitution effect on the phase stabilization, electrical and spectroscopic properties of LAMOX-based electrolyte for solid oxide fuel cells.

A series of P5+ - doped La2Mo2O9 phases with different concentrations of P5+ were prepared using conventional solid-state reactions. The formation of phase-pure P5+-doped La2Mo2O9 has been monitored by powder X-ray diffraction, thermal analysis, conductivity measurements, Raman, and FT-IR absorption techniques. The structure and lattice parameters of La2Mo2-yPyO9-y/2 are obtained from Rietveld refinement. The effect of substituting P for Mo reveals that the phase transition which occurs in La2Mo2O9 around 560 °C disappears when y > 0.02, as demonstrated by thermal analysis. Pure P5+-doped phases with monoclinic structure (α-form, the space group P21) were observed for the concentration of optically active ions up to y = 0.02. When the concentration of P5+ ions is higher, a cubic structure (ß-form, the space group P213) starts to appear. However, up to the concentration of y = 0.03 of the P5+ ion a mixture of the monoclinic and cubic phases has been observed. From infrared and Raman analysis it is confirmed that different vibration modes arise from the vibration of molybdenum-oxygen bands. Mo-O bond lengths are also found to be independent of P-doping.

1,4,8,11-Tetra-azonia-cyclo-tetra-decane tetra-kis-(hydrogensulfate).

In the title salt, C10H28N4 (4+)·4HSO4 (-), the cation lies about an inversion center. In the crystal, O-H⋯O and N-H⋯O hydrogen bonds connect the anions and cations, forming a three-dimensional network.

Analysis of the local structure of phosphorus-substituted LAMOX oxide ion conductors.

The effect of partial substitution of molybdenum by phosphorus on the global and local structural arrangement of the fast oxide-ion conductor La(2)Mo(2)O(9) (LAMOX) has been studied by X-ray powder diffraction as well as (139)La and (31)P solid state NMR. The diffraction patterns show that La(2)Mo(2-y)P(y)O(9-y/2) forms a solid solution at low phosphorus concentrations, and that there is a structural phase transition upon increasing phosphorus concentration. This phase transition is also reflected in (139)La and (31)P NMR spectra. The possibility to excite (31)P multiple-quantum coherences of one of the (31)P NMR signals gives evidence of an accumulation of phosphorus atoms on neighbouring Mo-type sites already before formation of three-dimensional precipitates. On the basis of our X-ray and NMR results we propose a possible structural arrangement of the compound La(2)Mo(2-y)P(y)O(9-y/2) that explains the experimental observations by crystal twinning.