Because of their superior antibacterial and pharmacokinetic capabilities, many nucleoside-based esters show potential against microorganisms, and may be used as pharmacological agents to address multidrug-resistant pathogenic problems. In this study, several aliphatic and aromatic groups were inserted to synthesize various 5′-O-decanoyluridine (2–5) and 5′-O-lauroyluridine derivatives (6–7) for antimicrobial, in silico computational, pharmacokinetic and POM (Petra/Osiris/Molinspiration). The chemical structures of the synthesized uridine derivatives were confirmed by physicochemical, elemental, and spectroscopic analyses. In vitro antimicrobial screening against five bacteria and two fungi, as well as the prediction of substance activity spectra (PASS), revealed that these uridine derivatives have promising antifungal properties when compared to the antibacterial activities. Density functional theory (DFT) was used to calculate the thermodynamic and physicochemical properties. Molecular docking was conducted against lanosterol 14a-demethylase CYP51A1 (3JUV) and Aspergillus flavus (1R4U) and revealed binding affinities and non-covalent interactions with the target. Then, a 150 ns molecular dynamic simulation was performed to confirm the behavior of the complex structure formed by microbial protein under in silico physiological conditions to examine its stability over time, which revealed a stable conformation and binding pattern in a stimulating environment of uridine derivatives. The acyl chain {CH₃(CH₂)₉CO-} and {CH₃(CH₂)₁₀CO-} in conjunction with sugar, was determined to have the most potent activity against bacterial and fungal pathogens in a structure-activity relationships (SAR) investigation. POM analyses were conducted with the presence of an antifungal (O ^δ− –- O’ ^δ−) pharmacophore site. Overall, the present study might be useful for the development of uridine-based novel multidrug-resistant antimicrobial. Graphical Abstract

This study develops a process for enhancing the photostabilization of PVC films blended with a low concentration of mefenamate–tin complex. One tri-substituted and three di-substituted organotin complexes containing mefenamate unit are synthesized, and their chemical structures are established. The reactions of mefenamic acid and a number of substituted tin chlorides gave the corresponding tin complexes in 70–77% yields. Tin complexes were blended with PVC and thin films. The effect of the addition of additives against long-term irradiation (290–400 nm, 300 h) is also tested. Changes in the infrared spectra, weight, and surface of the PVC blends due to irradiation are examined and analyzed. Any damage to the PVC surface and its chemical degradation level are noticeably low in the presence of additives. Minimal photodegradation levels and surface changes of the irradiated PVC films are observed when the triphenyltin complex is used. Such a complex is highly aromatic and can act as an ultraviolet irradiation absorber and a scavenger for hydrogen chloride and radicals produced due to the photooxidation and photoirradiation of PVC films.

Poly(vinyl chloride) (PVC) undergoes photodegradation induced by ultraviolet (UV) irradiation; therefore, for outdoor applications, its photostability should be enhanced through the use of additives. Several carvedilol tin complexes were synthesized, characterized and mixed with PVC to produce thin films. These films were irradiated at 25 °C with a UV light (λ = 313 nm) for up to 300 h. The reduction in weight and changes in chemical structure and surface morphology of the PVC films were monitored. The films containing synthesized complexes showed less undesirable changes than the pure PVC film. Organotin with a high content of aromatics was particularly efficient in inhibiting photodegradation of PVC. The carvedilol tin complexes both absorbed UV light and scavenged radicals, hydrochloride, and peroxides and, therefore, photostabilized PVC.

Three organosilanes were synthesized in good yields from the condensation of 4,4′,4″-((phenylsilanetriyl)tris(oxy))tribenzaldehyde and 4-substituted anilines under acidic conditions. The structure of the organosilanes was confirmed using a variety of techniques. Organosilanes were mixed with poly(vinyl chloride) (PVC) and homogenous films were produced. The effect of long-term irradiation on the films containing organosilanes was tested using various methods. Monitoring the infrared spectra of PVC films before, during and after irradiation processes showed the formation of side products comprising polyene, carbonyl and hydroxyl groups. The intensities of absorption bands due to these functional groups were much lower in the presence of organosilanes as compared to the blank film. Also, the decrease in the weight and molecular weight of PVC films after irradiation was lower in the presence of organosilanes. Additionally, there was a minimal surface change of irradiated PVC in the presence of organosilanes. Clearly, organosilanes act as inhibitors, particularly the one containing the hydroxyl group, for the photodegradation of PVC. Different mechanisms were proposed to speculate the role played by organosilanes in stabilizing PVC against long-term ultraviolet light exposure.

Environmental problems associated with the growing levels of carbon dioxide in the atmosphere due to the burning of fossil fuels to satisfy the high demand for energy are a pressing concern. Therefore, the design of new materials for carbon dioxide storage has received increasing research attention. In this work, we report the synthesis of three new Schiff bases containing a trimethoprim unit and the investigation of their application as adsorbents for carbon dioxide capture. The reaction of trimethoprim and aromatic aldehydes in acid medium gave the corresponding Schiff bases in 83%–87% yields. The Schiff bases exhibited surface areas ranging from 4.15 to 20.33 m²/g, pore volumes of 0.0036–0.0086 cm³/g, and average pore diameters of 6.64–1.4 nm. An excellent carbon dioxide uptake (27–46 wt%) was achieved at high temperature and pressure (313 K and 40 bar, respectively) using the Schiff bases. The 3-hydroxyphenyl-substituted Schiff base, which exhibited a meta-arrangement, provided the highest carbon dioxide uptake (46 wt%) due to its higher surface area, pore volume, and pore diameter compared with the other two derivatives with a para-arrangement.