Phosphorus, Sulfur, and Silicon and the Related Elements最新文献

Synthesis of axially disubstituted silicon(IV) phthalocyanine bearing benzhydryloxy groups obtained by reaction of SiPcCl₂ with diphenylmethanol is reported. Characterization of the compound was performed by ¹H and ¹³C NMR, UV–Vis, mass spectrometry, and FT-IR spectroscopy. Photophysical and photochemical properties were investigated. Fluorescence spectra measurements were performed in DMSO as solvent. A preferred chemical method was used to determine the amount of singlet oxygen production. Optimizations were calculated for the single-molecule Si-Pc with the 6–311 G (d, p) basis set at the B3LYP and B3PW91 levels of density functional theory (DFT). The charge transfer (or) charge delocalization between intramolecular donor–acceptor groups was determined by NBO analysis. Furthermore, molecular electrostatic potential, Fukui functions, electrophilic and nucleophilic character maps were calculated. The electronic structure and energy parameters of the investigated compound were determined to be ΔE_calc = 2.19 eV by DFT calculation and ΔE_opt = 1.84 by experimental UV spectrum.

Ten derivatives of phenylbenzylidene thiosemicarbazones (1–10) were synthesized by multicomponent reaction between hydrazine hydrate, isothiocyanate and substituted aldehydes in the presence of the phase transfer reagent Triton-B and subsequently heating the mixture. The synthesized compounds 1, 2, 5, 8 demonstrated to act as highly potent anticancer agents. They showed anticancer activity by mobilizing cellular ⁵⁹Fe, inhibiting cellular uptake of ⁵⁹Fe from ⁵⁹Fe₂-Tf, and mediating the ascorbate oxidation. Further, the structure activity relationship revealed that the donor atom and its stabilization resulted in better anticancer activity. The softness of the chelating donor atoms N and S yielded redox active iron complexes, which easily mediated ascorbate oxidation. This study identified the selective and potential chelators, which may act as anticancer agents and require further in vivo screening in future.

In this study, a new series of 3H-quinazoline-4-thione derivatives were synthesized under ultrasonic irradiation conditions with high yield in a short time. The new compounds were characterized by FT-IR,¹H, and ¹³C NMR spectral data. The antiurease activities of all new compounds were tested according to the method by Weatherburn. The inhibition results with the 3H-quinazoline-4-thione ring compounds were compared with those of some previously synthesized 3H-quinazolin-4-ones. More effective results were found for most quinazolinethione compounds. All new synthesized compounds have effective urease inhibition activity. Especially, the compound 2-(4-nitrobenzyl)quinazoline-4(3H)-thione (2i) has the best inhibition results with IC₅₀ = 1.6 ± 0.049 μg/mL.

The multiphase catalysts DMSNs-Cb-X containing NHC-CO₂ adducts were synthesized by soft template method that is, first preparing dendritic multi-model pore silica nanoparticles (DMSNs) with central-radial structure, and then grafting imidazoline functional groups, and finally allowing to react with dimethyl carbonate to graft NHC-CO₂ adducts. The investigations had the scope to improve the performance and to elucidate the effect of NHC-CO₂ adducts on the CO₂ cycloaddition reaction. The optimum catalyst DMSNs-Cb-1 and the optimum reaction conditions (200 mg, 100 °C, 10 h) were obtained via thermogravimetric analysis. CO₂ cycloaddition reaction with epoxide DMSNs-Cb-1 can convert CO₂ and epoxide to cyclic carbonate at ambient pressure without solvent and co-catalysts (1 bar, 100 °C). The reaction proceeds with high yield and high conversion frequency (TOF = 27.4 h⁻¹). The prepared catalyst is easily recovered and still has high activity after five cycles of experiments. The excellent catalytic performance of the obtained catalyst can be attributed to the synergy of hierarchical porous structure and NHC-CO₂ adducts acting as CO₂ adsorption sites as well as zwitterionic catalytic sites. This work demonstrates an efficient strategy for green conversion of CO₂ into cyclic carbonates.

Imidazolium (IMZ)-based ionic liquids (ILs) with various counter ions were investigated as potential corrosion inhibitors. Furthermore, parameters such as bond lengths, bond angles, and dihedral bonds were investigated to demonstrate the adsorption sites of molecules. Moreover, in order to compare the efficiency of the inhibitors, other parameters such as energy gap, hardness, the LUMO, and the HOMO were investigated. The HOMO and LUMO values increased from −4.370 and −0.106 eV to −4.959 and −0.156 eV, respectively, by changing F⁻ to I⁻. Moreover, the softness of the IMZ base changed from 0.469 to 0.417 eV by increasing the radius of the halide ion. The trend of the band gap value in going from F⁻ to I⁻ changes from 4.264 to 4.797 eV. The total electron density was computed to show the adsorption sites based on the electron density. According to the molecular reactivity results, the inhibitory efficiency of the inhibitors was in the following order: BMI-F > BMI-Cl > BMI-Br > BMI-I. Investigating the IMZ-based ILs with various counterions to evaluate the inhibition profile of molecules provides useful insights into computational protocols for the study of corrosion inhibitors.

Sulfur-protected enantiomerically pure 1-phosphanorbornane aldehyde 5 is obtained in good yield via Swern oxidation of the previously reported 1-phosphanorbornane alcohol. The aldehyde is further used to prepare a novel sulfur-protected 1-phosphanorbornane enamine.

The nucleophilic substitution reactions of mono- and bis-spiro-2,2’-dioxybiphenyl cyclotriphosphazenes (1a and 1b) with 2-hydroxybenzothiazole (2) were performed in the presence of metallic sodium in THF. Two novel 2-oxybenzothiazole-substituted spiro-2,2′-dioxybiphenyl cyclotriphosphazene derivatives (3a and 3b) were obtained from these reactions. Both compounds (3a, 3b) have been characterized by elemental analysis as well as by ¹H, ¹³C and ³¹P NMR spectroscopy. Compounds 3a and 3b are reported for the first time in this study.

Silver nanoparticles (Ag-Nps) were grown on the surface of a p-type crystalline silicon (C-Si) substrate using electroless metal deposition. It was found that the Ag-Nps distribution on C-Si was controlled by the silver nitrate (AgNO₃) concentrations. Atomic force microscopy observations revealed the formation of a continuous layer at high concentration. In contrast, a distribution of Ag-Nps with a spherical shape was obtained at lower concentration. The samples were also examined by optical microscopy under dark field illumination. The light reflected from Ag-Nps was obtained with different colors. This difference indicates a slight change in particle size. It is demonstrated that a silicon substrate with deposited Ag-Nps shows a significant decrease in reflectance and an increase of the absorption in the region from 200 to 800 nm. Moreover, the behavior of small Ag-Nps while interacting with light (absorbed or scattered light) is theoretically described using the Mie theory based on the Drude model. The introduction of silver nanoparticles on silicon surface is used to improve the efficiency of solar cells by reducing reflection and increasing the light absorption.

A total of eighteen novel 2-(1H-indol-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl) acetamide derivatives were synthesized through the condensation reaction of 2-(1H-indol-1-yl) acetic acid and 5-phenyl-1,3,4-thiadiazol-2-amine via fragment-based design strategy. The target compounds were subjected to screening for antibacterial activity against Xanthomonas oryzae pv. Oryzae, Xanthomonas axonopodis pv. Citri and Pseudomonas syringae pv. Actinidiae. The preliminary antibacterial evaluation of the target compounds showed that some target compounds possessed moderate to good activities against Xoo and Xac. Among them, compound 3p exhibited best inhibition effects against Xoo (77.85% and 62.15%, respectively) and Xac (52.51% and 36.48%, respectively) at 100 μg/mL and 50 μg/mL, which were superior to Thiodiazole-copper and Bismerthiazol. To the best of our knowledge, it is the first report on the design, synthesis, and antibacterial evaluation of novel indole-derived compounds containing 1,3,4-thiadiazole and amide moieties.

The ion-exchange material was obtained by oxidation of the product of the interaction of polyvinyl chloride with an aqueous solution of calcium polysulfide. The structure of the resulting cation exchanger and metal-containing hybrid material was identified by IR spectroscopy and elemental analysis. The kinetics of absorption of metal ions in cation exchange resin was analyzed by using pseudo-first and pseudo-second order models. The rate constants in the adsorption process were calculated. According to the correlation coefficient, it was determined that the sorption process proceeds according to the laws of a pseudo-second order reaction. Based on the equilibrium sorption it was evaluated according to the isotherm models of Langmuir, Freundlich, Temkin, and Dubinin-Radushkevich (D-R). The results showed that the absorption of Ca²⁺ and Mg²⁺ ions from aqueous solutions in cation exchange resin displays the best accordance with the Langmuir monomolecular theory. In addition, the results showed that the cation exchanger (PVC-SO₃H) effectively cleans river water from Ca²⁺ and Mg²⁺ ions for industrial enterprises.