Iodine-loaded poly(silicic acid) gellan nanocomposite mucoadhesive film for antibacterial application

Iodine-loaded poly(silicic acid) gellan nanocomposite film was fabricated and evaluated for antibacterial properties. Poly(silicic acid) nanoparticles were synthesized by condensation of silicic acid under alkaline conditions in the presence of polyvinyl pyrrolidone, phosphate ions, and molecular iodine. The nanoparticles were incorporated into gellan dispersion to prepare gellan nanocomposite film using the solvent casting method. The nanocomposite films were characterized by Fourier transformed infrared spectroscopy, thermogravimetric analysis, and X-ray diffraction studies. The results of characterization studies indicated improved thermal stability and an increase in the degree of crystallinity. The scanning electron micrographs and energy dispersive X-ray spectrum confirmed the uniform dispersion of silica and iodine in the nanocomposite films. The analysis of physical and mechanical properties revealed the enhanced tensile strength, moisture resistance, and higher folding endurance of poly(silicic acid) gellan nanocomposite films as compared to gellan film. Further, the iodine-loaded poly(silicic acid) gellan nanocomposite films showed good antibacterial activity against Staphylococcus aureus and Escherichia coli and effective mucoadhesive strength. The results indicate that iodine-loaded poly(silicic acid) gellan nanocomposite mucoadhesive film can be used for potential antibacterial applications in pharmaceuticals.     

In silico identification of novel inhibitors against Plasmodium falciparum dihydroorate dehydrogenase

Plasmodium falciparum causes the most fatal form of malaria and accounts for over 1 million deaths annually, yet currently used drug therapies are compromised by resistance. The malaria parasite cannot salvage pyrimidines and relies on de novo biosynthesis for survival. The enzyme dihydrooratate dehydrogenase (DHODH), a mitochondrial flavoenzyme, catalyzes the rate-limiting step of this pathway and is therefore an attractive anti-malarial chemotherapeutic target. In an effort to design new and potential anti-malarials, structure-based pharmacophore mapping, molecular docking, binding energy calculations and binding affinity predictions were employed in a virtual screening strategy to design new and potent P. falciparum dihydrooratate dehydrogenase (PfDHODH) inhibitors. A structure-based pharmacophore model was generated which consist of important interactions as observed in co-crystal of PfDHODH enzyme. The developed model was used to retrieve molecules from ChemBridge database, a freely available commercial database. A total of 87 molecules mapped on the modeled pharmacophore from the database. The retrieved hits were further screened by docking simulation, binding energy calculations and biding affinity predictions using genetic optimization for ligand docking (GOLD) and MOE. Based on these results, finally 26 chemo-types molecules were predicted as new, potential and structurally diverse PfDHODH inhibitors.     

Nonlinear optical behavior of alkyne terminated phthalocyanines in solution and when embedded in polysulfone as thin films: Effects of aggregation

We report here for the first time, on the comparative studies of the photophysical and optical limiting behavior of our two novel phthalocyanines namely 2(3), 9(10), 16(17), 23(24)-tetrakis-(4-(5-methylhex-1-yn-3-yloxy)) phthalocyanines 2, and 2(3), 9(10), 16(17), 23(24)-tetrakis-(4-(5-methylhex-1-yn-3-yloxy)) phthalocyaninato zinc (II) (3) in solution and thin films. Nonlinear optical (NLO) properties of the samples in solution and contained in polysulfone (PSU) thin films were evaluated using Z-scan technique at 532 nm and 10 ns pulsed duration. Effects of aggregation and disaggregation on the NLO performance of metal-free phthalocyanine are reported in detail. Our findings showed that the prepared Pcs show larger nonlinear absorption coefficient and lower limiting thresholds when embedded in polysulfone films compared to in solutions. The values of nonlinear susceptibility and hyperpolarizability recorded for 3-PSU in this work are respectively, ∼2.09 × 10⁻⁸ esu and ∼1.02 × 10⁻²⁶ esu. These values are among the largest values reported for phthalocyanines and other macrocycles doped on polymer matrices.     

Part accuracy improvement in two point incremental forming with a partial die using a model predictive control algorithm

As a flexible forming technology, Incremental Sheet Forming (ISF) is a promising alternative to traditional sheet forming processes in small-batch or customised production but suffers from low part accuracy in terms of its application in the industry. The ISF toolpath has direct influences on the geometric accuracy of the formed part since the part is formed by a simple tool following the toolpath. Based on the basic structure of a simple Model Predictive Control (MPC) algorithm designed for Single Point Incremental Forming (SPIF) in our previous work Lu et al. (2015) [1] that only dealt with the toolpath correction in the vertical direction, an enhanced MPC algorithm has been developed specially for Two Point Incremental Forming (TPIF) with a partial die in this work. The enhanced control algorithm is able to correct the toolpath in both the vertical and horizontal directions. In the newly-added horizontal control module, intensive profile points in the evenly distributed radial directions of the horizontal section were used to estimate the horizontal error distribution along the horizontal sectional profile during the forming process. The toolpath correction was performed through properly adjusting the toolpath in two directions based on the optimised toolpath parameters at each step. A case study for forming a non-axisymmetric shape was conducted to experimentally validate the developed toolpath correction strategy. Experiment results indicate that the two-directional toolpath correction approach contributes to part accuracy improvement in TPIF compared with the typical TPIF process that is without toolpath correction.     

Few-layer graphene by assisted-exfoliation of graphite with layered silicate

Few-layer graphene has been achieved in liquid dispersion from graphite by the assistance of titanosilicate JDF-L1, using ultrasound and methanol as dispersive media. After a sedimentation step, both the dispersed and the sedimented phases were collected and then the titanosilicate was removed by alkaline hydrothermal dissolution from the mixed materials to obtain few-layer graphene (FLG) and sedimented material, respectively. The production of smaller particles was confirmed by means of N₂ adsorption and zeta-potential measurements, so that the BET specific surface area increased from 20 m²/g of the raw graphite to 333 ± 22 m²/g in FLG. Raman spectroscopy shows a decrease in the ratio of intensities of the peaks G and 2D from 3.8 in the raw material to 2.5 in FLG. Particles as fine as 1.3 nm, corresponding to 4-layered FLG, were observed by AFM, while high-resolution TEM showed defect-free regions of graphene.     

Enhancement in magnetic,piezoelectric and ferroelectric properties on substitution of titanium by iron in barium calcium titanate ceramics

Lead free polycrystalline ceramics with compositional formula Ba_0.90Ca_0.10Ti_1–3x/4Fe_xO₃ (BCT), (x=0.000, 0.005, 0.010, 0.015 and 0.020) were prepared by the solid state reaction method. The effect of substitution of Fe³⁺ ion at Ti-site on the ferroelectric and piezoelectric properties of BCT ceramics was studied. Remanant polarisation (P_r) and saturation polarisation (P_s) show an increasing trend while the reverse trend was observed for coercive field (E_c) with Fe³⁺ substitution. The values of the piezoelectric charge coefficient (d₃₃) and piezoelectric coupling coefficient (k_p) was found to increase with increase in Fe content. Ceramic sample with x=0.02 was found to have a maximum value of d₃₃ (130 pC/N) and k_p (29%). The prepared ceramic samples show magnetic properties as confirmed by recorded MH loops. On substitution of Fe³⁺ ions, the ferroelectric BCT ceramics show clear transformation of the diamagnetic nature of BCT ceramics to weak ferromagnetism.     

Dielectric relaxation and conduction mechanism of complex perovskite Ca0.90Sr0.10Cu3Ti3.95Zn0.05O12 ceramic

In this work, Sr and Zn co-doped calcium copper titanate having nominal formula Ca_0.90Sr_0.10Cu₃Ti_3.95Zn_0.05O₁₂ has been synthesized and systematically studied for structure, dielectric and electrical properties. The phase purity of the prepared composition has been confirmed by X-ray diffraction (XRD) pattern and various structural parameters are presented here with Rietveld refinement data. The Scanning electron microscopy (SEM) image revealed the presence of homogeneous fine-grained microstructure investigated in the prepared ceramic. The impedance data well fitted with 2 R-CPE model confirmed the non-ideality of the system. Dielectric studies have shown the existence of two relaxation processes in low and high frequency domains. Low frequency dielectric response proposed as a combination of Maxwell-Wagner relaxation and intrinsic defect (V_o⁺⁺) while high frequency behavior has been interpreted in terms of polaronic relaxation caused by hopping process of an electron between Ti³⁺ and Ti⁴⁺ states. The frequency dependent behavior of conductivity has been well fitted to Dong’s model and interpreted in term of Overlapping Large Polaron Tunneling (OLPT) mechanism. The various parameters; relaxation angular frequency (ω₁) of Debye process, ionic hopping frequency (ω₂₎, dc conductivity (σ_o), cole- cole parameter (α) and frequency exponent (s) have been determined by Dong’s Model fitting.     

Study of crystal structure,dielectric, magnetic and magnetoelecrtic properties of xCoFe2O4-(1-x)Na0.5Bi0.5TiO3 composites

Multiferroic composites of spinel ferrite and ferroelectric xCoFe₂O₄ – (1-x)Na_0.5Bi_0.5TiO₃ (with x = 0.10,0.30,0.50) were efficiently prepared by standard solid state reaction mechanism. X-ray diffractometer was used to analyze crystal structure of the prepared composites. The observed XRD patterns of the composites comprise peaks of both the phases i.e. ferrite and ferroelectric, with no sign of secondary peaks. Rietveld refinement of XRD data further confirms the coexistence of these two phases with cubic (Fd3m) and rhombohedral (R3c) symmetry corresponding to ferrite and ferroelectric phase respectively. The 3-dimensional overview of crystal structure of pure CoFe₂O₄ and Na_0.5Bi_0.5TiO₃ and of composite 0.50CoFe₂O₄?0.50Na_0.5Bi_0.5TiO₃ is generated by using refined parameters. The dielectric constant (ε´) and dielectric loss (tanδ) values were recorded as a function of frequency ranging from 100?Hz to 7?MHz and at different temperatures. Both ε´ and tanδ follow dispersion pattern at lower frequencies while show frequency independent behavior at higher frequencies. The magnetic evaluation carried by analyzing M-H hysteresis loop reveals the ferrimagnetic characteristics of these composites. The highest value of magnetic moment is 1.12μ_B observed for composite 0.50CoFe₂O₄ – 0.50Na_0.5Bi_0.5TiO_3. Magnetoelectric (ME) voltage coefficient (α) was also demonstrated to observe the interaction between ferrite and ferroelectric phases. The highest value of α (72.72μV/Oe cm) is obtained for low ferrite composition 0.10CoFe₂O₄ – 0.90Na_0.5Bi_0.5TiO₃, which suggests the dependence of magnetoelectric response on the resistivity of the composites.     

The effect of alumina-based sintering aid on the microstructure,selected mechanical properties,and coefficient of friction of Cf/SiC composite prepared via spark plasma sintering (SPS) method

C_f-SiC air brake discs are being developed due to their high-temperature oxidation resistance compared to conventional C_f/C discs. The C_f-SiC air brake discs should have a coefficient of friction (COF) close to 0.4, a low wear rate, a density higher than 95% of the theoretical density, and flexural strength of more than 200 MPa. To reach the properties of C_f-SiC composite to the required characteristics of the air brake disc, different amounts of alumina-based sintering aid were used. For this purpose, first silicon carbide nanoparticles, sintering aids Al₂O₃–MgO, MgAl₂O₄, Al₂O₃–Y₂O₃, Al₂O₃–SiO₂–MgO, and carbon fiber (20 wt%) with a 5-mm length were prepared. Next, the final composite bulk was created via the SPS method at 1900 °C under a pressure of 50 MPa. The density of the sample sintered with the Al₂O₃–SiO₂–MgO sintering aid was higher than that of other sintering aids. The density value was obtained at 98% and 100% at 8 wt% and 4 wt% respectively. It was also found that the use of 4 wt% of Al₂O₃–SiO₂–MgO offered better mechanical properties compared to 8 wt%, due to the absence of Al₈Si₄O₂₀ phase at 4 wt%. The examination of mechanical properties showed that the hardness (3564 Vickers) and flexural strength (479 MPa) of the sample with the Al₂O₃–SiO₂–MgO sintering aid were higher than those of other sintering aids. The samples with the Al₂O₃–SiO₂–MgO sintering aid with 4 wt% revealed a COF of 0.41, showing the closest feature to the desired indices of aircraft brake discs.     

In-situ investigation on crack-initiation and deformation of Al2O3 green bodies during dewaxing process by combined OCT-TG-FTIR and TMA

The dewaxing process is used to remove an organic binder from the ceramic green bodies before sintering, which occasionally generates cracks. The crack formation behavior depends on various factors including softening and decomposition of the organic binder, generation of gases, and strength degradation of the green body thereby. Herein, this correlation was investigated to elucidate the crack formation behavior during the dewaxing process using two types of Al₂O₃ green bodies; one is added with polyvinyl butyral (PVB) and stearic acid (SA) and the other is with paraffin. The internal structures of Al₂O₃ green bodies during dewaxing were observed using optical coherence tomography (OCT), and the generated gases were analyzed simultaneously using a thermogravimetric (TG) analyzer and Fourier transform infrared (FTIR) spectroscopy (TG-FTIR). The mechanical properties of the green bodies were investigated at RT–600 °C using a thermomechanical analyzer (TMA). The weight change occurred in both the green bodies with formation of gases depending on the type of the binder. In the OCT studies, cracks were observed with substantial deformation in the PVB/SA-added green body during the dewaxing, whereas no cracks were seen in the paraffin-added one. The TMA investigation showed that the paraffin-added sample possessed higher strength and better structural stability than the PVB/SA-added one throughout the dewaxing, leading to the crack-free green body of the former. Therefore, the crack-initiation and deformation behaviors of the green bodies were significantly affected by the type of the binder used. The combination of the in-situ observations using the combined OCT-TG-FTIR system and the mechanical properties measurement using TMA was found to be effective in verifying the structural stability of the green bodies during the dewaxing.