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Chitosan nanosheets (NS) stabilized on poly (3,4-ethylenedioxythiophene): poly(styrene sulfonate) (PEDOT: PSS) was functionalized using Fe3O4 to capacitively remove chloride ions and toxic cadmium ions at optimized pH, concentration, and number of charging cycles. The synthesis procedure was investigated by Fourier transform infrared spectroscopy (FTIR), X-Ray Diffractometer (XRD), Transmission Electron Microscope (TEM), Scanning Electron Microscope – Energy Dispersive X-ray Spectroscopy (SEM-EDS), and Brunauer-Emmett-Teller (BET). The analyses confirms increase in surface area of the nanocomposite from 41 to 132 m2/g and a decrease in crystallinity from 75.3 to 66.9% after nanosheet formation. The highest sorption exchange capacity (SEC) for this work, 93% CdCO3 removal is achieved at 100 CDI cycles while 82% NaCl removal was achieved at 80 cycles. The SEC% increased with pH during Na ion deionization and decreased with pH during Cd removal. The works shows that chitosan is able to impart advanced structural properties to Fe3O4 and PEDOT and is able to reduce reverse migration of ions from electrodes to bulk solution, leading to higher SEC performance. [ABSTRACT FROM AUTHOR]

Hydrazone‐type Schiff bases have been widely explored owing to their therapeutic properties. These compounds are known to have antibacterial, antifungal, anticancer, and antioxidant properties, among others. In the present study, six hydrazone‐based Schiff bases (BB1–BB6) were synthesized by the reaction between derivatives of benzaldehyde and benzo hydrazide in methanolic medium in the presence of catalytic amount of formic acid. The synthesized compounds were characterized using various spectroscopic techniques such as NMR (1H, 13C, COSY, DEPT, HSQC, HMBC, and NOESY), FTIR, UV‐Vis, elemental (CHN) analysis, and high‐resolution mass spectroscopy. In addition, single crystal structures of BB2, BB4, and BB6 were obtained. In vitro antidiabetic and antioxidant potential of the compounds was evaluated on glucosidase, amylase, NO, FRAP, and DPPH assays, respectively. In all the assays, compounds BB6, BB4, and BB2 showed higher activity than the others. To further explore the chemical reactivity properties and their mechanism of action against the tested assays, DFT and molecular docking study were performed, and the results obtained reinforce the experimental study data. [ABSTRACT FROM AUTHOR]

This study reports the photoelectrocatalytic (PEC) activity of a n–n heterojunction comprising MoS2 and NiSe2. The synthesis of the composite was achieved through a facile solvothermal method, yielding an exfoliated MoS2 layered sheet loaded with NiSe2 nanoparticles. Under visible light radiation and an external electric field, the obtained composite NiSe2/MoS2 exhibited enhanced catalytic activity for ciprofloxacin (CIP) degradation. The NiSe2/MoS2 heterojunction achieved about 78 % degradation efficiency with a first‐order kinetic rate of 0.0111 min−1, compared to 38 % efficiency and a first‐order kinetic rate of 0.0044 min−1 observed for MoS2. The NiSe2/MoS2 heterojunction was more advantageous due to the synergy of charge carrier induction by visible light radiation and improved charge carrier separation induced by the external electric field. The formation of n–n heterojunction at the interface of the two materials resulted in charge redistribution in the materials, with a simultaneous realignment of the band structure to achieve Fermi energy equilibration. The primary reactive species responsible for CIP degradation was identified as the photo‐induced h+. Furthermore, the catalyst exhibited high stability and reusability, with no significant reduction in activity observed after five experimental cycles. This study reveals the potential of exploring the synergy between the photocatalytic and electrocatalytic processes in removing harmful pharmaceutical compounds from water. [ABSTRACT FROM AUTHOR]

C41H38AuNOP2S2, triclinic, P1‾$‾{1}$ (no. 2), a = 10.0821(2) Å, b = 12.9409(2) Å, c = 14.7183(3) Å, α = 76.207(1)°, β = 80.444(1)°, γ = 75.592(1)°, V = 1794.63(6) Å3, Z = 2, Rgt(F) = 0.0170, wRref(F2) = 0.0407, T = 150 K.

C14H12N2O2, monoclinic, P21, a = 8.3844(1) Å, b = 20.0465(3) Å, c = 14.0511(2) Å, β = 94.786(1)°, V = 2353.44(6) Å3, Z = 4, Rgt(F) = 0.0356, wRref(F2) = 0.1022, T = 150(2) K.

C26H20CuN2O4, triclinic, P1̄ (no. 2), a = 5.8633(1) Å, b = 12.2597(2) Å, c = 14.5517(3) Å, α = 82.960(1)°, β = 85.058(2)°, γ = 86.436(4)°, V = 1032.85(3) Å3, Z = 2, Rgt(F) = 0.0264, wRref(F2) = 0.0732, T = 100(2) K.

An equimolar reaction of 5-chlorosalicylaldehyde and 2-bromo-4-chloroaniline yielded the Schiff base (Z)-2-((2-bromo-4-chlorophenyl)imino)methyl)-4-chlorophenol) (HL), which was used for complexation to Co2+, Ni2+, Cu2+, and Zn2+ metal salts. Elemental and thermogravimetric analyses, conductivity measurements, powder X-ray diffraction, nuclear magnetic resonance (¹H and 13C), infrared, ultravioletvisible, energy dispersive X-ray-scanning electron and mass spectroscopies confirm the Schiff base structure and show mono-nuclear homoleptic complexes of the type ML2 for all metal salts used. The crystal structures of Ni2+ and Cu2+ complexes revealed a perfect square planar geometry around the metal ions, with the ligand acting as bidentate through oxygen and nitrogen atoms of the phenolic and azomethine groups, respectively. The antimicrobial potential of the compounds was evaluated on some selected pathogenic bacteria consisting of Gram-positive (Staphylococcus aureus and Bacillus subtilis) and Gram-negative (Klebsiella pneumonioe and Pseudomonas aeruginosa) strains using an in vitro assay. Antioxidant activity was evaluated using the DPPH assay. The complexes showed enhanced activity over the free Schiff base ligand in all the assays. Toxicity studies on WISH-ATCC-CCL-25, human epithelial amnion (normal liver cell lines), and MRC-5-ATCC-CCL-171 (normal human lung fibroblast cell lines) revealed that at lower concentrations, the complexes did not affect the cell lines. A computational study was deployed to investigate the electronic properties of the ligands and the complexes relating to their stability, reactivity, and biological potential. The computational data corroborated sufficiently with the experimental findings. Molecular docking studies demonstrated the compounds' mechanism of action and identified potential binding sites consistent with the in vitro assays. Hirshfeld surface analysis was also performed on selected compounds to reveal qualitative and quantitative intermolecular interactions within the topology crystal network of crystal structures. [ABSTRACT FROM AUTHOR]

C14H12N2O2, monoclinic, P21, a = 8.3844(1) Å, b = 20.0465(3) Å, c = 14.0511(2) Å, β = 94.786(1)°, V = 2353.44(6) Å3, Z = 4, Rgt(F) = 0.0356, wRref(F2) = 0.1022, T = 150(2) K. [ABSTRACT FROM AUTHOR]

Copyright of Zeitschrift für Kristallographie / New Crystal Structures is the property of De Gruyter and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

C26H20CuN2O4, triclinic, P1̄ (no. 2), a = 5.8633(1) Å, b = 12.2597(2) Å, c = 14.5517(3) Å, α = 82.960(1)°, β = 85.058(2)°, γ = 86.436(4)°, V = 1032.85(3) Å3, Z = 2, Rgt(F) = 0.0264, wRref(F2) = 0.0732, T = 100(2) K. [ABSTRACT FROM AUTHOR]

Copyright of Zeitschrift für Kristallographie / New Crystal Structures is the property of De Gruyter and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

C41H38AuNOP2S2, triclinic, P1 (no. 2), a = 10.0821(2) Å, b = 12.9409(2) Å, c = 14.7183(3) Å, α = 76.207(1)°, β = 80.444(1)°, γ = 75.592(1)°, V = 1794.63(6) Å3, Z = 2, Rgt(F) = 0.0170, wRref(F2) = 0.0407, T = 150 K. [ABSTRACT FROM AUTHOR]

C41H38AuNOP2S2, triclinic, P1 (no. 2), a = 10.0821(2) Å, b = 12.9409(2) Å, c = 14.7183(3) Å, α = 76.207(1)°, β = 80.444(1)°, γ = 75.592(1)°, V = 1794.63(6) Å3, Z = 2, Rgt(F) = 0.0170, wRref(F2) = 0.0407, T = 150 K. [ABSTRACT FROM AUTHOR]