Synthesis of New D-π-A Phenothiazine-Based Fluorescent Dyes: Aggregation Induced Emission and Antibacterial Activity.

Highly solid-state fluorescent dyes based on phenothiazine bearing sulfa-drug derivatives were successfully prepared and fully characterized by NMR, mass spectra, and elemental analysis. The prepared phenothiazine dyes bearing sulfadiazine and sulfathiazole 4-(((10-hexyl-10 H-phenothiazin-3-yl)methylene)amino)-N-(pyrimidin-2yl) benzenesulfonamide (PTZ-1) and 4-(((10-hexyl-10 H-phenothiazin-3-yl) methylene) amino)-N-(thiazol-2-yl)benzenesulfonamide (PTZ-2), showed strong emission in polycrystalline form, and significant emission in solution was observed. The quantum yield of the prepared dyes varied and decreased by increasing the solvent polarity, with the maximum recorded value being 0.63 and 0.6 in dioxane. Aggregation-induced emission (AIE) and the effect of the solvent polarity on absorption and emission spectra were investigated. The dyeing application of polyester fabrics using the prepared phenothiazine-based dyes was studied, showing very good affinity to dyed fabrics. The antibacterial affinity against gram-positive and gram-negative bacteria for the dye powder as well as the dyed PET fabric was investigated, with PTZ-2 showing better affinity against bacteria compared to PTZ-1. This multifunctional property highlights the potential uses of PTZ-1 and PTZ-2 for advanced applications in biomedicine and optoelectronics.

Facile and Novel Synthetic Approach, Molecular Docking, Molecular Dynamics, and Drug-Likeness Evaluation of 9-Substituted Acridine Derivatives as Dual Anticancer and Antimicrobial Agents.

In the present study, numerous acridine derivatives A1-A20 were synthesized via aromatic nucleophilic substitution (SNAr) reaction of 9-chloroacridine with carbonyl hydrazides, amines, or phenolic derivatives depending upon facile, novel, and eco-friendly approaches (Microwave and ultrasonication assisted synthesis). The structures of the new compounds were elucidated using spectroscopic methods. The title products were assessed for their antimicrobial, antioxidant, and antiproliferative activities using numerous assays. Promisingly, the investigated compounds mainstream revealed promising antibacterial and anticancer activities. Thereafter, the investigated compounds' expected mode of action was debated by using an array of in silico studies. Compounds A2 and A3 were the most promising antimicrobial agents, while compounds A2, A5, and A7 revealed the most cytotoxic activities. Accordingly, RMSD, RMSF, Rg, and SASA analyses of compounds A2 and A3 were performed, and MMPBSA was calculated. Lastly, the ADMET (absorption, distribution, metabolism, excretion, and toxicity) analyses of the novel acridine derivatives were investigated. The tested compounds' existing screening results afford an inspiring basis leading to developing new compelling antimicrobial and anticancer agents based on the acridine scaffold.

A new Schiff base-fabricated pencil lead electrode for the efficient detection of copper, lead, and cadmium ions in aqueous media.

Cu2+, Pb2+, and Cd2+ were individually and simultaneously determined using a novel and effective electroanalytical approach that has been devised and improved. Cyclic voltammetry was used to examine the electrochemical properties of the selected metals, and their individual and combined concentrations were determined by square wave voltammetry (SWV) using a modified pencil lead (PL) working electrode functionalized with a freshly synthesized Schiff base, 4-((2-hydroxy-5-((4-nitrophenyl)diazenyl)benzylidene)amino)benzoic acid (HDBA). In a buffer solution of 0.1 M tris-HCl, heavy metal concentrations were determined. To improve the experimental circumstances for determination, scan rate, pH, and their interactions with current were studied. At some concentration levels, the calibration graphs for the chosen metals were linear. The concentration of each metal was altered while the others remained unchanged for both the individual and simultaneous determination of these metals, and the devised approach was proven to be accurate, selective, and rapid.

Facile and highly precise pH-value estimation using common pH paper based on machine learning techniques and supported mobile devices.

Numerous scientific, health care, and industrial applications are showing increasing interest in developing optical pH sensors with low-cost, high precision that cover a wide pH range. Although serious efforts, the development of high accuracy and cost-effectiveness, remains challenging. In this perspective, we present the implementation of the machine learning technique on the common pH paper for precise pH-value estimation. Further, we develop a simple, flexible, and free precise mobile application based on a machine learning algorithm to predict the accurate pH value of a solution using an available commercial pH paper. The common light conditions were studied under different light intensities of 350, 200, and 20 Lux. The models were trained using 2689 experimental values without a special instrument control. The pH range of 1: 14 is covered by an interval of ~ 0.1 pH value. The results show a significant relationship between pH values and both the red color and green color, in contrast to the poor correlation by the blue color. The K Neighbors Regressor model improves linearity and shows a significant coefficient of determination of 0.995 combined with the lowest errors. The free, publicly accessible online and mobile application was developed and enables the highly precise estimation of the pH value as a function of the RGB color code of typical pH paper. Our findings could replace higher expensive pH instruments using handheld pH detection, and an intelligent smartphone system for everyone, even the chef in the kitchen, without the need for additional costly and time-consuming experimental work.

Magnetic TiO2/CoFe2O4 Photocatalysts for Degradation of Organic Dyes and Pharmaceuticals without Oxidants.

In the current study, CoFe2O4 and TiO2 nanoparticles were primarily made using the sol-gel method, and subsequently, the hybrid magnetic composites of TiO2 loaded with CoFe2O4 (5-15 percent w/w) were made using a hydrothermal procedure. X-ray diffraction (XRD), Fourier transform infrared (FTIR) and Raman spectroscopy, ultraviolet-visible diffuse reflectance spectroscopy (UV-vis DRS), scanning electron microscopy (SEM), and high-resolution transmission electron microscopy (HRTEM) were all used to thoroughly characterize the materials. Additionally, the zero-charge point (ZCP) determination, the examination of the pore structure by nitrogen adsorption, and an evaluation of magnetic properties were performed. Six organic dye pollutants were selected to evaluate the performance of the synthesized nanocomposites toward photocatalytic degradation, including methylene blue (MB), methyl orange (MO), crystal violet (CV), acridine orange (AO), rhodamine B (RhB), and rhodamine 6G (R-6G). Photodegradation of tetracycline (TL), a model pharmaceutical pollutant, was also studied under UV and visible light. The composites exhibited a high degradation performance in all cases without using any oxidants. The photocatalytic degradation of tetracycline revealed that the CoFe2O4/TiO2 (5% w/w) composite exhibited a higher photocatalytic activity than either pure TiO2 or CoFe2O4, and thus attained 75.31% and 50.4% degradation efficiency under UV and visible light, respectively. Trapping experiments were conducted to investigate the photodegradation mechanism, which revealed that holes and super oxide radicals were the most active species in the photodegradation process. Finally, due to the inherent magnetic attributes of the composites, their easy removal from the treated solution via a simple magnet became possible.

Synthesis, characterization, thermal properties, antimicrobial evaluation, ADMET study, and molecular docking simulation of new mono Cu (II) and Zn (II) complexes with 2-oxoindole derivatives.

One of the interesting research fields is developing and assessing novel metal-containing medications. A new isatin-3-thiosemicarbazone derivative 4 was synthesized by two different methods based on hydrazone derivatives 2 and 3. Additionally, the chelation of thiosemicarbazone with copper (II) and zinc (II) forms a monobasic tridentate (ONS) complex with two five-member rings and a tetrahedral geometry structure. The structure of synthesized complexes was characterized using elemental analysis, FT-IR, mass spectra, and 1H/13C NMR. Thermogravimetric analysis revealed the upgrading of the thermal stability of metal complexes compared to their thiosemicarbazone ligand. The stoichiometric ratio of the coordination confirmed the formation of 1:1 (M: L) stoichiometry. In vitro antimicrobial activity was screened against two gram-positive, two gram-negative, and one fungal strain. Both ligand 4 and Zn complex 6 displayed high antimicrobial activity compared with copper complex 5 based on the zone of inhibition. Further, MIC and MBC were determined for both zinc and ligand. The zinc complex 6 displayed excellent antimicrobial activity with (MIC = 3.9-27.77 µg/mL) against bacterial strains and (MIC = 7.81 µg/mL) against C. albicans, as well as exhibited MBC values ranging between (MBC = 6.51-45.58 µg/mL) and (MFC = 13.58 µg/mL), respectively, and demonstrated bactericidal and fungicidal behavior. The in-silico ADMET study for ligand and two complexes were determined and showed non-AMES toxicity, non-carcinogenic, and obey the rule of five. A comparative docking study provided more insight into the binding mechanisms and suggested that antimicrobial activity may be due to inhibition of different targets.

Synthesis of 9-Hydroxy-1H-Benzo[f]chromene Derivatives with Effective Cytotoxic Activity on MCF7/ADR, P-Glycoprotein Inhibitors, Cell Cycle Arrest and Apoptosis Effects.

ß-Enaminonitriles bearing 9-hydroxy-1H-benzo[f]chromene moiety was synthesized. The targeted compounds were evaluated for their anti-proliferative activity against three human tumor cell lines, PC-3, SKOV-3 and HeLa, and the active cytotoxic compounds were further evaluated against cancer cells, MCF-7/ADR, and two normal cell lines, HFL-1 and WI-38. Few compounds were assigned to be the most potent derivatives against PC-3, SKOV-3 and HeLa cell lines in comparison with Vinblastine and Doxorubicin. Several compounds possessed a relatively good potency against MCF-7/ADR cells as compared with Doxorubicin and were tested as a P-gp inhibitor. Moreover, the halogenated substituents, 2,4-F2, 2,3-Cl2, 2,5-Cl2 and 3,4-Cl2; have good potency against P-gp-mediated MDR in MCF-7/ADR as compared with Doxorubicin. Meanwhile, Rho123 accumulation assays revealed that few compounds effectively inhibited P-pg and efflux function. In addition, certain derivatives induced apoptosis and an accumulation of the treated MCF-7/ADR cells in the G1, S and G1/S phases.

Colorimetric Chemosensor and Turn on Fluorescence Probe for pH Monitoring Based on Xanthene Dye Derivatives and its Bioimaging of Living Escherichia coli Bacteria.

A new turn on fluorescence probe based on 3',6'-dihydroxy-6-methyl-2-((pyridin-2-ylmethylene)amino)-4-(p-tolyl)spiro[benzo[f]isoindole-1,9'-xanthen]-3(2H)-one (BFFPH) derived from benzo[f]fluorescein was prepared. Full characterization of the prepared probe using spectroscopic analysis was described such as IR, NMR and MS spectra. The sensitivity of BFFPH for monitoring of pH change in alkaline medium was studied. BFFPH exhibited a high sensitivity to alkaline pH by two pKa values at 8.82 and 10.66 in UV/vis spectroscopy titration. The pH monitoring was studied in broad range of pH values (2.5-12.2) at two pKa values at 8.72 and 10.73 by recording the effect of pH on the fluorescence intensity of BFFPH. The acid-base reversibility character of the probe was investigated as well as the effect of the pH change on the fluorescence quantum yield. The application of the prepared BFFPH probe for detection of living Escherichia coli (E. coli) bacteria using confocal fluorescence microscope was investigated.