Some characterisations of supported algebras

We give several equivalent characterisations of left (and hence, by duality, also of right) supported algebras. These characterisations are in terms of properties of the left and the right parts of the module category, or in terms of the classes L₀ and R₀ which consist respectively of the predecessors of the projective modules, and of the successors of the injective modules.     

Materials and Methods

Materials and Methods Synthesis of thionyl chloride-activated succinamidopropyl-glass beads     

A Molecular Electron Density Theory Study of the [3+2] Cycloaddition Reaction of an Azomethine Ylide with an Electrophilic Ethylene Linked to Triazole and Ferrocene Units

The [3+2] cycloaddition (32CA) reaction of an azomethine ylide (AY) with an electrophilic ethylene linked to triazole and ferrocene units has been studied within the Molecular Electron Density Theory (MEDT) at the ωB97X-D/6-311G(d,p) level. The topology of the electron localization function (ELF) of this AY allows classifying it as a pseudo(mono)radical species characterized by the presence of two monosynaptic basins, integrating a total of 0.76 e, at the C1 carbon. While the ferrocene ethylene has a strong electrophilic character, the AY is a supernucleophile, suggesting that the corresponding 32CA reaction has a high polar character and a low activation energy. The most favorable ortho/endo reaction path presents an activation enthalpy of 8.7 kcal·mol⁻¹, with the 32CA reaction being exergonic by −42.1 kcal·mol⁻¹. This reaction presents a total endo stereoselectivity and a total ortho regioselectivity. Analysis of the global electron density transfer (GEDT) at the most favorable TS-on (0.23 e) accounts for the high polar character of this 32CA reaction, classified as forward electron density flux (FEDF). The formation of two intermolecular hydrogen bonds between the two interacting frameworks at the most favorable TS-on accounts for the unexpected ortho regioselectivity experimentally observed.     

Highly Efficient Photocatalysts for Methylene Blue Degradation Based on a Platform of Deposited GO-ZnO Nanoparticles on Polyurethane Foam

The demand for reactive dyes in industries has increased rapidly in recent years, and producing a large quantity of dye-containing effluent waste contaminates soils and water streams. Current efforts to remove these harmful dyes have focused on utilizing functionalized nanomaterials. A 3D polyurethane foam loaded with reduced graphene oxide (rGO) and ZnO nanocomposite (PUF/rGO/ZnO) has been proposed as an efficient structural design for dye degradation under the influence of visible light. The proposed structure was synthesized using a hydrothermal route followed by microwave irradiation. The resultant 3D PUF/rGO/ZnO was examined and characterized by various techniques such as XRD, FTIR, SEM, EDAX, BET, and UV–visible spectroscopy. SEM data illustrated that a good dispersion and embedment of the rGO/ZnO NPs within the PUF matrix occurred. The adsorption capacity for neat PUF showed that around 20% of the Methylene blue (MB) dye was only adsorbed on its surface. However, it was found that an exceptional adsorption capacity for MB degradation was observed when the rGO/ZnO NPs inserted into the PUF, which initially deteriorated to ~ 70 % of its initial concentration. Notably, the MB dye was completely degraded within 3 h.     

Synthesis and Structure Elucidation of Novel Spirooxindole Linked to Ferrocene and Triazole Systems via [3 + 2] Cycloaddition Reaction

In the present work, a novel heterocyclic hybrid of a spirooxindole system was synthesized via the attachment of ferrocene and triazole motifs into an azomethine ylide by [3 + 2] cycloaddition reaction protocol. The X-ray structure of the heterocyclic hybrid (1″R,2″S,3R)-2″-(1-(3-chloro-4-fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)-5-methyl-1″-(ferrocin-2-yl)-1″,2″,5″,6″,7″,7a″-hexahydrospiro[indoline-3,3″-pyrrolizin]-2-one revealed very well the expected structure, by using different analytical tools (FTIR and NMR spectroscopy). It crystallized in the triclinic-crystal system and the P-1-space group. The unit cell parameters are a = 9.1442(2) Å, b = 12.0872(3) Å, c = 14.1223(4) Å, α = 102.1700(10)°, β = 97.4190(10)°, γ = 99.1600(10)°, and V = 1484.81(7) ų. There are two molecules per unit cell and one formula unit per asymmetric unit. Hirshfeld analysis was used to study the molecular packing of the heterocyclic hybrid. H···H (50.8%), H···C (14.2%), Cl···H (8.9%), O···H (7.3%), and N···H (5.1%) are the most dominant intermolecular contacts in the crystal structure. O···H, N···H, H···C, F···H, F···C, and O···O are the only contacts that have the characteristic features of short and significant interactions. AIM study indicated predominant covalent characters for the Fe–C interactions. Also, the electron density (ρ(r)) at the bond critical point correlated inversely with the Fe–C distances.     

Synthesis and Characterization of Some New Quinoxalin-2(1H)one and 2-Methyl-3H-quinazolin-4-one Derivatives Targeting the Onset and Progression of CRC with SAR,Molecular Docking,and ADMET Analyses

The pathogenesis of colorectal cancer is a multifactorial process. Dysbiosis and the overexpression of COX-2 and LDHA are important effectors in the initiation and development of the disease through chromosomal instability, PGE2 biosynthesis, and induction of the Warburg effect, respectively. Herein, we report the in vitro testing of some new quinoxalinone and quinazolinone Schiff’s bases as: antibacterial, COX-2 and LDHA inhibitors, and anticolorectal agents on HCT-116 and LoVo cells. Moreover, molecular docking and SAR analyses were performed to identify the structural features contributing to the biological activities. Among the synthesized molecules, the most active cytotoxic agent, (6d) was also a COX-2 inhibitor. In silico ADMET studies predicted that (6d) would have high Caco-2 permeability, and %HIA (99.58%), with low BBB permeability, zero hepatotoxicity, and zero risk of sudden cardiac arrest, or mutagenicity. Further, (6d) is not a potential P-gp substrate, instead, it is a possible P-gpI and II inhibitor, therefore, it can prevent or reverse the multidrug resistance of the anticancer drugs. Collectively, (6d) can be considered as a promising lead suitable for further optimization to develop anti-CRC agents or glycoproteins inhibitors.     

Effect of Halide Ions on the Electronic Conductivity in Calcium Borate Glasses

Some halogen-doped calcium borate glasses containing iron have been prepared according to the percentage molar composition [(30 – x) CaO · x CaX₂ · 10 Fe₂O₃ · 60 B₂O₃] and annealed. It is found that the conduction in the semiconducting glasses is mainly due to electronic conduction. The results show that the halide ions may be introduced as modifiers for CaX₂ concentration < 10 mol% (X >= F, Cl, and Br) but they are network formers at CaX₂ > 10 mol%. It is proposed that at 10 mol% the network structure for all glasses seems to be the same. The dependence of resistivity on the halide ions concentration as well as the slight variation of activation energies, could be explained on the basis of electron-lattice interaction. Mathematical expressions for fitting and describing the dependence of resistivity on CaX₂ concentration are deduced and formulated by the following equations: ϱ = ϱ₀ exp [± ac(1 – bc)] and ϱ ϱ= ±₁₀ exp [± a′c(1 – b′c)] for the two regions around the critical concentration.     

Mutation Classes of Skew-Symmetric 3 × 3-Matrices

In this article, we establish a bijection between the set of mutation classes of mutation-cyclic skew-symmetric integral 3 × 3-matrices and the set of triples of integers (a, b, c) such that 2 ≤ a ≤ b ≤ c and ab ≥ c. We also give an algorithm allowing to verify whether a matrix is mutation-cyclic or not. We prove that given a, b, the two cases depend on whether c is large enough or not.     

A highly distorted hexacoordinated silver(I) complex: synthesis,crystal structure,and DFT studies

A new highly distorted hexacoordinated silver(I) complex [AgL₂NO₃] with 2-(bis(methylthio)methylene)-1-phenylbutane-1,3-dione (L) as ligand is synthesized and characterized using elemental analysis, FTIR, NMR, and X-ray single-crystal structure analysis. The ligand (L) and the nitrate group act as bidentate ligands. The geometry around the silver ion has an intermediate configuration between a trigonal prism (TP) and an octahedron (OCT). Continuous shape measure (CShM) analysis indicated a closer configuration to TP than OCT. Experimentally and theoretically, the Ag–S bonds are shorter than any of the Ag–O bonds, indicating a stronger interaction between Ag⁺ (soft metal) and S-atom as a softer site than oxygen. Natural bond orbital (NBO) analyses showed higher interaction energies between the S-atom lone pairs and the Ag–antibonding NBO (8.61–31.39 kcal/mol) than LP(O)→Ag (3.48–11.46 kcal/mol). The acceptor antibonding NBO of the Ag atom has mainly s-orbital character. The Ag atom has a natural charge of +0.7579 e at the experimental structure, suggesting that negative charge was transferred from the ligand (0.0666 e) and nitrate (0.1090 e) to the Ag ion. Using Hirshfeld surface analysis, the important intermolecular interactions between molecular units within the crystal lattice of the ligand and its Ag-complex were analyzed and compared.