Amido‐3‐hydroxypyridin‐4‐ones as Iron(III) Ligands

The synthesis and physicochemical properties of a range of 2‐ and 6‐amido‐3‐hydroxypyridin‐4‐ones are described. All the amido‐substituted 3‐hydroxypyridin‐4‐ones have lower pK_a values than 1,2‐dimethyl‐3‐hydroxypyridin‐4‐one (deferiprone). This is due to the inductive effect of the amido group. Furthermore, the pK_a values of the 3‐hydroxy group in 1‐nonsubstituted pyridinones are dramatically lower than those of the corresponding 1‐alkyl analogues, indicating that a strong hydrogen bond exists between the 2‐amido function and the 3‐oxygen anion, which stabilises the anion. As a result of the decreased competition with protons, the pFe³⁺ values of this group of molecules are higher than that of deferiprone. The distribution coefficients of these molecules are also increased despite the lack of a hydrophobic 1‐alkyl substituent and this is ascribed to the intramolecular hydrogen bond. X‐ray diffraction studies confirm the existence of the intramolecular hydrogen bond.     

Copper(II)-pyrazine-2,3-dicarboxylate Coordination Polymer with Monoethanolamine, [Cu(μ<Subscript>3</Subscript>-pzdc)(mea)]<Subscript><Emphasis Type="Italic">n</Emphasis></Subscript>

Abstract  

A novel Cu(II)-pyrazine-2,3-dicarboxylate complex with monoethanolamine ligand (mea), [Cu(μ₃-pzdc)(mea)]_n (1), has been synthesized and characterized by elemental, spectral (IR and UV–Vis.) and thermal analyses. The molecular structure of polynuclear complex has been determined by the single crystal X-ray diffraction technique. The pyrazine-2,3-dicarboxylate dianion exhibits tetradentate-μ₃ bridging ligand through three carboxylate oxygens and one nitrogen atom. The complex contains two copper(II) ions that exhibit two different coordination environments with two mea, two pzdc ligands, respectively. The Cu1(II) ion is coordinated by two carboxylate oxygen atoms, two N atoms and two O atoms of symmetry related carboxylate group, forming a distorted octahedral geometry, while Cu2(II) ion is coordinated by two bidentate mea ligands and remaining two coordination sites of distorted octahedral geometry are occupied by two carboxylate oxygen atoms of neighboring Cu1 molecule. Thermal analysis property and thermal decomposition mechanism of complex have been investigated by using thermal analyses techniques (TG, DTG and DTA).     

Asymmetric chiral metamaterial circular polarizer based on four U-shaped split ring resonators

An asymmetric chiral metamaterial structure is constructed by using four double-layered U-shaped split ring resonators, which are each rotated by 90° with respect to their neighbors. The peculiarity of the suggested design is that the sizes of the electrically and magnetically excited rings are different, which allows for equalizing the orthogonal components of the electric field at the output interface with a 90° phase difference when the periodic structure is illuminated by an x-polarized wave. As a result, left-hand circular polarization and right-hand circular polarization are obtained in transmission at 5.1 GHz and 6.4 GHz, respectively. The experiment results are in good agreement with the numerical results.     

Synthesis of quercetin-encapsulated alginate beads with their antioxidant and release kinetic studies

Abstract

In this present study, different forms of quercetin encapsulated beads were synthesized, namely ionic cross-linked gel beads and cryogel beads. Fourier Transform Infrared (FT-IR) spectra of the beads were used to characterize and prove quercetin encapsulation in alginate beads. Swelling and drying profiles were studied. Besides, release kinetics of quercetin molecules from gel beads and cryogels were carefully investigated in two different solvent/media; dimethyl sulfoxide (DMSO) and Roswell Park Memorial Institute Medium (RPMI-1640). Based upon the release kinetic studies, it is found that quercetin release from alginate cryogel beads fits the first-order release model in DMSO and it depends on the concentration of quercetin in the beads. The release of quercetin from alginate gel beads was described by the Higuchi release model, which highlights the release of quercetin molecules through the pores of the matrix. In RPMI-1640, the release of quercetin from both forms of alginate beads fits zero-order release model and it indicates a constant release of quercetin per unit time. Finally, the radical scavenging activity of the quercetin quantities was tested by the 2,2-diphenyl-1-picrylhydrazyl (DPPH) test, and successful results were obtained compared to reference material.     

Trapping of benzene oxide-oxepin and methyl-substituted derivatives with 4-phenyl- and 4-pentafluorophenyl-1,2,4-triazoline-3,5-dione

4-Phenyl-1,2,4-triazoline-3,5-dione and its pentafluoro analogue are efficient reagents for trapping arene oxides, e.g. benzene oxide-oxepin, affording crystalline adducts that can be quantitatively analysed by HPLC and MS techniques.     

AlGaN-based high-performance metal–semiconductor–metal photodetectors

Design, structure growth, fabrication, and characterization of high performance AlGaN-based metal–semiconductor–metal (MSM) photodetectors (PD) are reported. By incorporating AlN nucleation and buffer layers, the leakage current density of GaN MSM PD was reduced to 1.96 × 10⁻¹⁰ A/cm² at a 50 V bias, which is four orders of magnitude lower compared to control devices. A 229 nm cut-off wavelength, a peak responsivity of 0.53 A/W at 222 nm, and seven orders of magnitude visible rejection was obtained from Al_0.75Ga_0.25N MSM PD. Two-color monolithic AlGaN MSM PD with excellent dark current characteristics were demonstrated, where both detectors reject the other detector spectral band with more than three orders of magnitude. High-speed measurements of Al_0.38Ga_0.62N MSM PD resulted in fast responses with greater than gigahertz bandwidths, where the fastest devices had a 3-dB bandwidth of 5.4 GHz.     

Quantum Contagion: A Quantum-Like Approach for the Analysis of Social Contagion Dynamics with Heterogeneous Adoption Thresholds

Modeling the information of social contagion processes has recently attracted a substantial amount of interest from researchers due to its wide applicability in network science, multi-agent-systems, information science, and marketing. Unlike in biological spreading, the existence of a reinforcement effect in social contagion necessitates considering the complexity of individuals in the systems. Although many studies acknowledged the heterogeneity of the individuals in their adoption of information, there are no studies that take into account the individuals’ uncertainty during their adoption decision-making. This resulted in less than optimal modeling of social contagion dynamics in the existence of phase transition in the final adoption size versus transmission probability. We employed the Inverse Born Problem (IBP) to represent probabilistic entities as complex probability amplitudes in edge-based compartmental theory, and demonstrated that our novel approach performs better in the prediction of social contagion dynamics through extensive simulations on random regular networks.     

Discovery and evaluation of inhibitory activity and mechanism of arylcoumarin derivatives on Theileria annulata enolase by in vitro and molecular docking studies

Molecular Diversity - In this study, the inhibition potential of 3- and 4-arylcoumarin derivatives on Theileria annulata enolase (TaENO) was assessed for the first time in the literature. Firstly,...     

Effect of the crystal structure on the X-ray intensity ratios of 3d metals

The linear muffin-tin-orbital method is used to calculate the d electron populations of 3d metals in different crystal structures. It is found that valence electronic structure and hence the Kβ/Kα X-ray intensity ratio (R) of a 3d metal changes with the crystal structure. It is concluded that R of a 3d metal depends on the energy band structure rather than the chemical environment.