Synergistic Antibacterial Properties of Silver Nanoparticles and Its Reducing Agent from Cinnamon Bark Extract.

Synthesis of silver nanoparticles with antibacterial properties using a one-pot green approach that harnesses the natural reducing and capping properties of cinnamon (Cinnamomum verum) bark extract is presented in this work. Silver nitrate was the sole chemical reagent employed in this process, acting as the precursor salt. Gas Chromatography-Mass Spectroscopy (GC-MS), High-Performance Liquid Chromatography (HPLC) analysis, and some phytochemical tests demonstrated that cinnamaldehyde is the main component in the cinnamon bark extract. The resulting bio-reduced silver nanoparticles underwent comprehensive characterization by Ultraviolet-Vis (UV-Vis) and Fourier Transform InfraRed spectrophotometry (FTIR), Dynamic Light Scattering (DLS), Transmission Electron Microscopy, and Scanning Electron Microscopy suggesting that cinnamaldehyde was chemically oxidated to produce silver nanoparticles. These cinnamon-extract-based silver nanoparticles (AgNPs-cinnamon) displayed diverse morphologies ranging from spherical to prismatic shapes, with sizes spanning between 2.94 and 65.1 nm. Subsequently, the antibacterial efficacy of these nanoparticles was investigated against Klebsiella, E. Coli, Pseudomonas, Staphylococcus aureus, and Acinetobacter strains. The results suggest the promising potential of silver nanoparticles obtained (AgNPs-cinnamon) as antimicrobial agents, offering a new avenue in the fight against bacterial infections.

Lignocellulosic-Based Nanoparticles with Photoluminescent Properties for Bioimaging.

Natural and renewable resources from plants or animals are an important source of biomaterials due to their biocompatibility and high availability. Lignin is a biopolymer present in the biomass of plants, where it is intertwined and cross-linked with other polymers and macromolecules in the cell walls, generating a lignocellulosic material with potential applications. We have prepared lignocellulosic-based nanoparticles with an average size of 156 nm that exhibit a high photoluminescence signal when excited at 500 nm with emission in the near-infrared (NIR) region at 800 nm. The advantage of these lignocellulosic-based nanoparticles is their natural luminescent properties and their origin from rose biomass waste, which eliminates the need for encapsulation or functionalization of imaging agents. Moreover, the in vitro cell growth inhibition (IC50) of lignocellulosic-based nanoparticles is about 3 mg/mL, and no in vivo toxicity was registered up to 57 mg/kg, which suggests that they are suitable for bioimaging applications. In addition, these nanoparticles can circulate in the blood and are excreted in urine. The combined high luminescence signal in NIR, small size, low in vitro toxicity, low in vivo toxicity, and blood circulation support the potential of lignin-based nanoparticles as a novel bioimaging agent.

Enhanced Chitosan Photoluminescence by Incorporation of Lithium Perchlorate.

An improvement in chitosan film photoluminescence was observed after adding LiClO4. FTIR spectra, XPS, DFT calculations, and XRD measurements show an alteration of the H-bonds and an increase in the amorphous character of chitosan. PL spectra display a growth in intensity in the visible region along with the incorporation of lithium, signaling a possible rise in the population density of tail states and, consequently, better photon absorption, as observed from UV-vis measurements. A mechanism through aggregation-induced emission effect is proposed to explain the different results. Although this work establishes the relation between structural changes provoked by LiClO4 incorporation and luminescence in the case of chitosan, we expect that the same approach could be generalized to similar polymeric structures.

Inelastic electron scattering from a helical potential: transverse polarization and the structure factor in the single scattering approximation.

We analyze single scattering of unpolarized photoelectrons through a monolayer of chiral molecules modeled by a continuous hardcore helix and spin-orbit coupling. The molecular helix is represented by an optical contact potential containing a non-hermitian component describing inelastic events. Transmitted photoelectrons are transversely polarized at optimal angles, and separated into up and down spin with up to 20% efficiency. Such a process involves the interference of both spin-orbit and inelastic strengths, that are parameterized quantitatively to recent experiments in chiral self-assembled monolayers (SAMs). The structure factor of the model chiral molecule shows the energy dependence of the differential cross section which decays strongly as energy increases. Larger incident momenta reduce axial deviations from the forward direction and the spin-orbit interaction becomes less effective. Transverse electron polarization is then restricted to a characteristic energy window.

Direct evaluation of the position dependent diffusion coefficient and persistence time from the equilibrium density profile in anisotropic fluids.

We derive expressions for the transverse diffusion coefficient D(z) and the average persistence time τ(z; L) within a layer of width L, for particles of a non-homogeneous fluid enclosed in a planar nanopore. The method allows the direct evaluation of these position-dependent dynamical quantities from the equilibrium local particle density profile. We use results for the density and persistence time profiles from the virtual layer molecular dynamics method to numerically assess the significance of the Smoluchowski approximation.

Molecular dynamics and analytical Langevin equation approach for the self-diffusion constant of an anisotropic fluid.

We carried out a molecular-dynamics (MD) study of the self-diffusion tensor of a Lennard-Jones-type fluid, confined in a slit pore with attractive walls. We developed Bayesian equations, which modify the virtual layer sampling method proposed by Liu, Harder, and Berne (LHB) [P. Liu, E. Harder, and B. J. Berne, J. Phys. Chem. B 108, 6595 (2004)]. Additionally, we obtained an analytical solution for the corresponding nonhomogeneous Langevin equation. The expressions found for the mean-squared displacement in the layers contain naturally a modification due to the mean force in the transverse component in terms of the anisotropic diffusion constants and mean exit time. Instead of running a time consuming dual MD-Langevin simulation dynamics, as proposed by LHB, our expression was used to fit the MD data in the entire survival time interval not only for the parallel but also for the perpendicular direction. The only fitting parameter was the diffusion constant in each layer.

Interplay of entropic and memory effects in diffusion of methane in silicalite zeolites.

The role of entropic effects in methane distribution and transport in silicalite zeolites is studied using molecular dynamics in the limit of infinite dilution or small loading. Diffusive behavior and its anisotropy is assessed as a function of temperature where we find both an Arrhenius regime above 250 K and deviations thereof below such temperature. Using a previous probabilistic model, geometrical correlations or memory effects are evidenced and are shown to be enhanced as temperature is reduced. Deviations from Arrhenius behavior are concomitant with entropic effects. We find that, the preference of methane towards presence at intersections or channel centers changes at a threshold temperature. A discrete transition is found from a channel-center preferred phase, at low temperatures, versus an intersection preferred phase at high temperatures with evidence of hysteresis effects. Such entropic effects are also reflected, in diffusive transport, as non-Arrhenius-type behavior. A model based on accessible volume as a function of energy agrees with the simulated transition lending new insight into zeolite cavity design.