METHODS: In an attempt to visualize the aggregation behavior of GA and its subsequent association with PTX, 100 ns molecular dynamics simulation of a 5 mM aqueous solution of GA with 10 molecules of PTX was conducted using GROMACS and an all-atom forcefield.
RESULTS: Aggregation of GA molecules was found to occur quickly at this level of saturation leading to two stable aggregates of 13 and 17 GA molecules with an effective radius of 10.17 nm to 10.92 nm. These aggregates form not in isolation, but together with PTX molecule embedded within the structures, which reduces the number of interactions and hydrogen-bonding with water.
CONCLUSION: GA aggregation occurs around PTX molecules in solution, forming co-joined GA-PTX cluster units at a ratio of 3:1. These clusters remain stable for the remainder of the 100ns simulation and serve to isolate and protect PTX from the aqueous environment.
Objectives: The main aim of this fundamental investigation is to examine the influence of a two-phase hybrid nanofluid approach on mixed convection characteristics including the consequences of varying Richardson number, number of oscillations, nanoparticle volume fraction, and dimensionless length and dimensionless position of the solid obstacle.
Methods: The migration of composite hybrid nanoparticles due to the nano-scale forces of the Brownian motion and thermophoresis was taken into account. There is an inner block near the middle of the enclosure, which contributes toward the flow, heat, and mass transfer. The top lid cover wall of the enclosure is allowed to move which induces a mixed convection flow. The impact of the migration of hybrid nanoparticles with regard to heat transfer is also conveyed in the conservation of energy. The governing equations are molded into the non-dimensional pattern and then explained using the finite element technique. The effect of various non-dimensional parameters such as the volume fraction of nanoparticles, the wave number of walls, and the Richardson number on the heat transfer and the concentration distribution of nanoparticles are examined. Various case studies for Al2O3-Cu/water hybrid nanofluids are performed.
Results: The results reveal that the temperature gradient could induce a notable concentration variation in the enclosure.
Conclusion: The location of the solid block and undulation of surfaces are valuable in the control of the heat transfer and the concentration distribution of the composite nanoparticles.
RESULTS: A new dimethyl aminopyridine based stabilizing agent named as DMAP-PTA was synthesized and used for stabilization of gold nanoparticles. Gold nanoparticles coated with DMAP-PTA abbreviated as DMAP-PTA-AuNPs were thoroughly characterized by UV-visible, FT-IR spectroscopic methods and transmission electron microscope before biological assay. DMAP-PTA, DMAP-PTA-AuNPs and Pefloxacin were examined for their antibacterial potential against E. coli, and the minimum inhibitory concentration (MIC) was determined to be 300, 200 and 50 µg/mL respectively. Gold nanoparticles conjugation was found to significantly enhance the antibacterial activity of DMAP-PTA as compared to pure compound. Moreover, effects of DMAP-PTA-AuNPs on the antibacterial potential of Pefloxacin was also evaluated by combination therapy of 1:1 mixture of DMAP-PTA-AuNPs and Pefloxacin against E. coli in a wide range of concentrations from 5 to 300 µg/mL. The MIC of Pefloxacin + DMAP-PTA-AuNPs mixture was found to be 25 µg/mL as compared to Pefloxacin alone (50 µg/mL), which clearly indicates that DMAP-PTA-AuNPs increased the potency of Pefloxacin. AFM analysis was also carried out to show morphological changes occur in bacteria before and after treatment of test samples. Furthermore, DMAP-PTA-AuNPs showed high selectivity towards Pefloxacin in spectrophotometric drug recognition studies which offers tremendous potential for analytical applications.
CONCLUSIONS: Gold nanoparticles conjugation was shown to enhance the antibacterial efficacy of DMAP-PTA ligand, while DMAP-PTA-AuNPs also induced synergistic effects on the potency of Pefloxacin against E. coli. DMAP-PTA-AuNPs were also developed as Pefloxacin probes in recognizing the drug in blood and water samples in the presence of other drugs.