Detection, characterization, and screening of heme-binding molecules by mass spectrometry for malaria drug discovery

Drug screening for antimalarials uses heme biocrystallization inhibition methods as an alternative to parasite cultures, but they involve complex processes and cannot detect artemisinin-like molecules. The described method detects heme-binding compounds by mass spectrometry, using dissociation of the drug-heme adducts to evaluate putative antiplasmodial activity. Applied to a chemical library, it showed a good hit-to-lead ratio and is an efficient early stage screening for complex mixtures like natural extracts.     

Resolution by Preferential Crystallization of Proxyphylline by Using Its Salicylic Acid Monohydrate Co-Crystal

The monohydrated co-crystal composed of the chiral active pharmaceutical ingredient proxyphylline, salicylic acid, and water was successfully resolved by preferential crystallization from a water/ethanol mixture. To the best of our knowledge, this is the first report of preferential crystallization applied to such a system and the results reveal that unusually high enantiomeric excess values can be attained in the mother liquor. These robust and reproducible results underline the potential of preferential crystallization to resolve co-crystal systems.     

Investigation of Ti-substitution effects on structural and electrochemical properties of Na0.67Mn0.5Fe0.5O2 battery cells

Ti-substituted Na_0.67Mn_0.5Fe_0.5O₂ powders were fabricated by quenching at high temperatures, and the structural properties were investigated by Fourier transform infrared (FTIR), Scanning Electron Microscope (SEM), X-ray powder diffraction (XRD), and X-ray absorption spectroscopy (XAS) measurements. According to XRD analysis, it was not observed any impurity phases and it was found that the lattice constants of the powders were slightly increased by Ti content. The change in the valence state of both Mn and Fe ions was investigated by X-ray absorption near edge structure (XANES), and it was found that Ti-substitution caused a decrease in the valance state of Fe in Na_0.67Mn_0.5Fe_0.5O₂. Fourier transform (FT) of XANES showed that the local structure around the metal ions changed with the addition of Ti ions. The cycling voltammetry (CV) graphs of Ti-substituted cells were almost the same as the pure sample, which may not change the cycling mechanism in the cells. According to galvanostatic cycling measurements at room temperature, the best performance was obtained with Ti-substitution of 0.06 to 0.09 in the structure. The effect of environmental temperature in the battery cells was investigated at 10°C to 50°C, and it was found that the battery performance depends on the environmental temperatures.     

Electrochemical Synthesis of Reduced Graphene Oxide–Wrapped Polyaniline Nanorods for Improved Photocatalytic and Antibacterial Activities

This study depicts the electrochemical synthesis of nanocomposites based on polyaniline nanorods (NRs) wrap with reduced graphene oxide (PANI–rGO) on ITO substrates for photocurrent generation, photodegradation, and antibacterial applications. The synthesis of PANI–rGO nanocomposites was elaborated by the incorporation of rGO into PANI thin films during electropolymerization in the presence of sulfuric acid. The synthesis of rGO was done by modification on the well-known Hammer’s method. The thin film nanocomposites were characterized by X-ray photoelectron spectroscopy (XPS), Scanning electron microscopy (FESEM), UV–Visible and electrochemical photocurrent spectroscopy. FESEM revealed the formation of PANI NRs with diameters of between 50 and 150 nm. The XPS was employed to confirm the compositions of the PANI–rGO nanocomposites. From photoelectrochemical results, the generated photocurrent was improved in the presence of rGO in PANI NRs. Whereas experimental findings show that the introduction of rGO into PANI improved the photoresponse from 7 to 13 µA cm^?2. Integration of 3D rGO into PANI results in better photocatalytic performance for the degradation of Congo red (CR). The enhanced photocatalytic activity with the presence of rGO revealed the good potential of PANI-GO nanocomposites for dye degradation. The effective removal of CR of up to 90% has been observed in an acidic medium and is acceptable compared to the surface area of the substrate. At optimum conditions, also the nature of the antibacterial activities has been investigated by ITO/PANI and ITO/PANI–rGO thin films, and the results have shown exhibited antibacterial activity against the growth of E. coli gram-negative bacteria.

Graphical Abstract