Experimental characterization and finite element investigation of SiO2 nanoparticles reinforced dental resin composite.

In this study, a commercial dental resin was reinforced by SiO2 nanoparticles (NPs) with different concentrations to enhance its mechanical functionality. The material characterization and finite element analysis (FEA) have been performed to evaluate the mechanical properties. Wedge indentation and 3-point bending tests were conducted to assess the mechanical behavior of the prepared nanocomposites. The results revealed that the optimal content of NPs was achieved at 1% SiO2, resulting in a 35% increase in the indentation reaction force. Therefore, the sample containing 1% SiO2 NPs was considered for further tests. The morphology of selected sample was examined using field emission scanning electron microscopy (FE-SEM), revealing the homogeneous dispersion of SiO2 NPs with minimal agglomeration. X-ray diffraction (XRD) was employed to investigate the crystalline structure of the selected sample, indicating no change in the dental resin state upon adding SiO2 NPs. In the second part of the study, a novel approach called iterative FEA, supported by the experiment wedge indentation test, was used to determine the mechanical properties of the 1% SiO2-dental resin. Subsequently, the accurately determined material properties were assigned to a dental crown model to virtually investigate its behavior under oblique loading. The virtual test results demonstrated that most microcracks initiated from the top of the crown and extended through its thickness.

Preparation of Polycarbonate-ZnO Nanocomposite Films: Surface Investigation after UV Irradiation.

Polycarbonate (PC)-ZnO films with different percentages of ZnO were prepared by a solution stirring technique and subjected to ultraviolet (UV; λ = 254 nm) irradiation. Structural parameters of the samples and the effects of UV irradiation on the surface properties of the PC and PC-ZnO nanocomposites were evaluated by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), atomic force microscopy (AFM), water contact angle (WCA) measurements, and a Vickers microhardness (HV) tester. The XRD patterns of the nanocomposite films were found to show an increase in crystallinity with the increasing ZnO nanoparticles percentage. The WCA was found to be reduced from 90° to 17° after 15 h of UV irradiation, which could be ascribed to the oxidation of the surface of the samples during the irradiation and exposure of the ZnO nanoparticles, a result that is also supported by the obtained XPS data. The microhardness value of the PC-ZnO films including 30 wt.% ZnO enhanced considerably after UV radiation, which can also be attributed to the exposition of the ZnO nanoparticles after photodegradation of the PC superficial layer of the nanocomposite films.

Modification of Chitosan Membranes via Methane Ion Beam.

Chitosan has been used for biomedical applications in recent years, primarily because of its biocompatibility. A chitosan membrane with a 30 µm thickness was prepared and investigated for its surface modification using methane ions. Methane ions were implanted into the chitosan membrane using a Kaufman ion source; bombardment was accomplished using three accelerating voltages of ion beams-30, 55, and 80 keV. The influence of the ion bombardment on morphology, crystallinity, and hydrophilicity was investigated. Attenuated total reflectance Fourier-transform infrared (ATR-FTIR) spectroscopy analysis showed that a triplet bond appeared after the implantation of methane ions (acceleration voltage: 80 keV), culminating in the creation of a more amorphous membrane structure. The analyses of atomic force microscopy (AFM) images showed that, with the increase in bombardment energy, the roughness of the surface changed. These results revealed that ion bombardment improved the hydrophilicity of the membranes and the water fluxes of chitosan membranes altered after methane ion bombardment.

Binding Studies of Isoxsuprine Hydrochloride to Calf Thymus DNA Using Multispectroscopic and Molecular Docking Techniques.

In the present work, the interaction of Isoxsuprine (ISX) with Calf thymus DNA (ct-DNA) under physiological conditions (Tris-HCl buffer of pH 7.4) was investigated by using electronic absorption, circular dichroism, viscosity, electrochemical studies, fluorescence techniques, salt effect studies and computational studies. Competitive fluorimetric studies with Hoechst 33258 have shown that ISX exhibit the ability to displace the DNA-bound Hoechst 33258, indicating that it binds to ct-DNA in strong competition with Hoechst 33258 for the minor groove binding. Furthermore, the resulting data showed that ISX cannot displace methylene blue or acridine orange, which are the common intercalator molecules. The viscosity of ct-DNA solution was almost unchanged on addition of ISX and circular dichroism (CD) spectra of ct-DNA showed small changes in the presence of ISX which is in agreement with groove binding mode of interaction. Thus all above studies showed that the ISX drug binds to ct-DNA in a groove binding mode.The salt-effect studies showed the non-electrostatic nature of binding of ISX to ct-DNA. Moreover, molecular docking results support the above experimental data and suggest that ISX prefers to bind on the minor groove of ct-DNA.

A multi-spectroscopic and molecular docking approach to investigate the interaction of antiviral drug oseltamivir with ct-DNA.

The possible interaction between the antiviral drug oseltamivir and calf thymus DNA at physiological pH was studied by spectrophotometry, competitive spectrofluorimetry, differential pulse voltammogram (DPV), circular dichroism spectroscopy (CD), viscosity measurements, salt effect, and computational studies. Intercalation of oseltamivir between the base pairs of DNA was shown by a sharp increase in specific viscosity of DNA and a decrease of the peak current and a positive shift in differential pulse voltammogram. Competitive fluorescence experiments were performed using neutral red (NR) as a probe for the intercalation binding mode. The studies showed that oseltamivir is able to release the NR.

Highly selective fluorescent recognition of Zn2+ based on naphthalene macrocyclic derivative.

A new macrocyclic chemosensor containing two naphthalene fluorophores has been synthesized. The fluorescent properties of this receptor has been studied in the presence of various metal ions such as Na(+), Ag(+), Cr(3+), Mn(2+), Fe(3+), Co(2+), Ni(2+), Cu(2+), Zn(2+), Cd(2+) and Pb(2+). When increasing concentrations of Zn(2+) ions were introduced, the emission of L was drastically increased (EFE = 4.34). This special change was not observed when other metal ions were used; such highly selective fluorescent response indicates that this receptor can easily discriminate Zn(2+) ions from other similar species. Model calculations at DFT level further suggest the possible interaction mode, and relatively steric position between the host and guest also influence the optical response.