Rutin is a natural flavonoid that carries out a variety of biological activities, but its application in medicine and food is limited by its water solubility. One of the classical methods used to enhance drug solubility is encapsulation with cyclodextrins. In this paper, the encapsulation of different cyclodextrins with rutin was investigated using a combination of experimental and simulation methods. Three inclusions of rutin/beta-cyclodextrin (β-CD), rutin/2-hydroxypropyl beta-cyclodextrin (HP-β-CD) and rutin/2,6-dimethyl beta-cyclodextrin (DM-β-CD) were prepared by the freeze-drying method, and the inclusions were analyzed using Fourier infrared spectroscopy (FTIR), X-ray diffraction analysis (XRD), differential scanning calorimetry (DSC) and ultraviolet–visible spectroscopy (UV) to characterize and demonstrate the formation of the inclusion complexes. Phase solubility studies showed that rutin formed a 1:1 stoichiometric inclusion complex and significantly increased its solubility. β-CD, HP-β-CD, DM-β-CD, rutin and the three inclusion complexes were modeled by using MS2018 and AutoDock 4.0, and molecular dynamics simulations were performed to calculate the solubility parameters, binding energies, mean square displacement (MSD), hydrogen bonding and radial distribution functions (RDF) after the equilibration of the systems. The results of simulation and experiment showed that rutin/DM-β-CD had the best encapsulation effect among the three cyclodextrin inclusion complexes.
16 July 2020 in Macromolecular Materials and Engineering
The gas sensitivity of semiconductor metal oxides, such as γ-Fe2O3 and SnO2, is investigated together with the synergistic effects in conjunction with grapheme. Nanoparticles of γ-Fe2O3, γ-Fe2O3/SnO2, and γ-Fe2O3/SnO2/RGO, prepared by two-step fabrication, were assembled in gas-sensing devices to assess their sensitivities; response and recovery times for the detection of ethanol, methanol, isopropanol, formaldehyde, H2S, CO, and NO gases at different temperatures but constant concentrations of 100 particles per million (ppm); and H2S, which underwent the dynamic gas sensitivity test in different concentrations. Each sample’s crystallinity and microscopic morphology was investigated with X-ray diffraction and a scanning electron microscope. In comparative gas sensitivity measurements, the ternary composite of γ-Fe2O3/SnO2/RGO was identified as an ideal candidate, as it responds to all four tested liquids in the gas phase as well as H2S with a response value equal to 162.6. Further, only the ternary composite γ-Fe2O3/SnO2/RGO hybrid nanoparticles responded to NO gas with a sensor response value equal to 4.09 in 12 s. However, only the binary composite γ-Fe2O3/SnO2 responded to CO with a corresponding sensitivity of 1.59 units in 7 s.
Four PAF26 peptide derivatives were used to study the effects of hydrophobic and cationic residues on self-assembly behaviours. It was found that peptide with different number of hydrophobic and cationic residues had different secondary conformation and microstructure.