Effects of plasticiser on the lithium ionic conductivity of polymer electrolyte PVC-LiCF3SO3

Solid polymer electrolyte films based on poly(vinyl chloride)-lithium triflate (PVC-LiCF₃SO₃) have been prepared by the solution-cast technique in various concentrations. The film with the highest conductivity was used to prepare plasticised polymer electrolyte films by using poly(ethlene glycol) (PEG) of different molecular weights, i.e., 200, 400 and 600 gmol⁻¹. These films were prepared to study the effects of addition of low molecular weights PEG on the lithium ionic conduction of the PVC based polymer electrolyte. The films were characterised by electrochemical impedance spectroscopy (EIS) and Fourier transform infrared-spectroscopy (FTIR). Results indicate that the molecular weight has an inverse effect on the conductivity and this has been accounted for by FTIR. Paper presented at the International Conference on Functional Materials and Devices 2005, Kuala Lumpur, Malaysia, June 6 – 8, 2005.     

Preparation and characterization of zinc oxide nanoflakes using anodization method and their photodegradation activity on methylene blue

In this work, we report the formation of leaf-like ZnO nanoflakes by anodization of zinc foil in a mixture of ammonium sulfate and sodium hydroxide electrolytes under various applied voltage and concentration of sodium hydroxide. The morphology and structure of ZnO nanoflakes were investigated by field emission scanning electron microscopy, energy-dispersive X-ray spectroscopy and X-ray diffraction analysis. In addition, the photocatalytic activity of the prepared nanoflakes zinc oxide was evaluated in the photodegradation of organic dye methylene blue (MB) solution under UV irradiation. It was found that zinc oxide prepared under high concentration of sodium hydroxide and high voltage showed better performance in the photodegradation of methylene blue.     

Chemical reactivity as a tool to study carcinogenicity: reaction between estradiol and estrone 3,4-quinones ultimate carcinogens and guanine

In this article we study the chemical reactions between guanine and two ultimate carcinogens, the 3,4-quinone forms of the estrogens estrone (E1) and estradiol (E2). DNA was truncated to guanine, i.e. no deoxyribose moiety was included. Due to a complex reaction that involves proton transfer via water molecules we applied linear free energy relationships rather than computation of the transition state and activation energies. The minima corresponding to reactants and products were obtained on the B3LYP/6-31G(d) level. The effects of hydration were considered using the solvent reaction field of Tomasi and co-workers and the Langevin dipoles model of Florian and Warshel. No significant difference in reaction free energy for the reaction involving estrone and estradiol metabolites was found, despite the fact that for the two substances different carcinogenic activities were reported. Differences in carcinogenicity may be therefore attributed to other types of interactions or reactions such as (i) specific interactions of the carbonyl or hydroxyl group with DNA giving rise to different activation free energies for the reactions, (ii) the reaction of depurination and subsequent effects on the DNA, (iii) enzymatic or nonenzymatic oxidation steps (P450, aromatase, peroxidases, O2) and detoxification reactions (catechol-O-methyl transferase, S-transferase), or (iv) binding of the hormone to its nuclear receptors.     

p-O-geranylcoumaric acid from Melicope lunu-ankenda

Leaf extracts of Melicope lunu-ankenda were chemically studied and found to contain mixtures of hydrocarbons and squalene, fatty acids and esters. A geranylated coumaric acid was isolated as the major compound. The crude dichloromethane and methanol extracts of the leaves were found to be strongly larvicidal with LC50 values below 20 microg mL(-1). This is a first isolation of p-O-geranylcoumaric acid from this plant.     

The Neovessel Occlusion Efficacy of 151-Hydroxypurpurin-7-Lactone Dimethyl Ester Induced with Photodynamic Therapy

In this study, the photodynamic therapy (PDT) induced efficacy of a semi-synthesized analogue 15¹-hydroxypurpurin-7-lactone dimethyl ester or G2, in terms of chick chorioallantoic membrane blood vessel occlusion was evaluated in reference to verteporfin. Early formulation studies showed that G2 prepared in a system of cremophor EL 2.5% and ethanol 2.5% in saline was biocompatible up to 20 μL volume of injection. Following injection, G2 accumulation peaked within the first minute and its extravasation from intra- to extra-vascular occurred somewhat slower as compared with verteporfin. In the PDT study, closure of capillaries and small neovessels was observed with 4 μg per embryo of G2 and a light dose of 20 J cm⁻² at a fluence rate of 40 mW cm⁻² filtered at 400–440 nm—a result that may be considered optimum for the treatment of age-related macular degeneration (AMD). Also, partial occlusion of the large vessels was observed using the same dose of G2 and light—an effect which is desirable for cancer treatment. From this study, we conclude that G2 has the potential to be developed as a therapeutic agent for photodynamic treatment for AMD and cancer.     

Characterization and microstructural studies of LiFe5O8 synthesized by the self propagating high temperature combustion method

LiFe₅O₈ was synthesized by the self-propagating high temperature combustion synthesis using lithium acetate and iron acetate as starting materials and glycine as reductant. The reaction was rapid when the ignition temperature was reached and the product was a light and porous mass of solid material. Analysis using X-Ray powder diffraction and SEM revealed the amorphous nature of the LiFe₅O₈ precursor material. From particle size analysis, the precursor material was much less than 100 nm, but increased upon annealing at 650 °C and 900 °C. Paper presented at the International Conference on Functional Materials and Devices 2005, Kuala Lumpur, Malaysia, June 6 – 8, 2005.     

Conjugated β-Cyclodextrin Enhances the Affinity of Folic Acid towards FRα: Molecular Dynamics Study

Drug targeting is a progressive area of research with folate receptor alpha (FRα) receiving significant attention as a biological marker in cancer drug delivery. The binding affinity of folic acid (FA) to the FRα active site provides a basis for recognition of FRα. In this study, FA was conjugated to beta-cyclodextrin (βCD) and subjected to in silico analysis (molecular docking and molecular dynamics (MD) simulation (100 ns)) to investigate the affinity and stability for the conjugated system compared to unconjugated and apo systems (ligand free). Docking studies revealed that the conjugated FA bound into the active site of FRα with a docking score (free binding energy < −15 kcal/mol), with a similar binding pose to that of unconjugated FA. Subsequent analyses from molecular dynamics (MD) simulations, root mean square deviation (RMSD), root mean square fluctuation (RMSF), and radius of gyration (Rg) demonstrated that FA and FA–βCDs created more dynamically stable systems with FRα than the apo-FRα system. All systems reached equilibrium with stable RMSD values ranging from 1.9–2.4 Å and the average residual fluctuation values of the FRα backbone atoms for all residues (except for terminal residues ARG8, THR9, THR214, and LEU215) were less than 2.1 Å with a consistent Rg value of around 16.8 Å throughout the MD simulation time (0–100 ns). The conjugation with βCD improved the stability and decreased the mobility of all the residues (except residues 149–151) compared to FA–FRα and apo-FRα systems. Further analysis of H-bonds, binding free energy (MM-PBSA), and per residue decomposition energy revealed that besides APS81, residues HIS20, TRP102, HIS135, TRP138, TRP140, and TRP171 were shown to have more favourable energy contributions in the holo systems than in the apo-FRα system, and these residues might have a direct role in increasing the stability of holo systems.     

Modelling shock waves in composite materials using generalised orthotropic pressure

Continuum Mechanics and Thermodynamics - Excellent mechanical properties of composite materials have numerous engineering applications, especially in aerospace structures. The main characteristics...     

Evaluation of the electrochemical capacity of spinel Li1.0348Mn1.9152Fe0.0494O4 compound from combined X-ray diffraction and particle size distribution measurements

A cathode material of the form Li_1.0348Mn_1.9152Fe_0.0494O₄ was prepared by a sol-gel method for lithium ion batteries. The synthesized material was found to have a pure cubic spinel structure of \( Fd\overline{3}m \) space group. The compound electrochemical capacity was estimated with high accuracy from a combined particle size distribution and X-ray diffraction (XRD) measurements based on considerations of particles sizes, crystal structure, and Li contribution from well-defined unit cells in the compound particles. It was possible to estimate the thickness of the most delithiated region near the particle surfaces at any delithiation depth using a direct and nondestructive procedure. Results showed that most of the attainable capacity in the conventional voltage range originates from the surface region rather than the core of the compound particles. The present analysis is believed to be of some value for estimation of the failure mechanism in cathode compounds, thus assisting the development of Li ion batteries.     

Infrared and conductivity studies on blends of PMMA/PEO based polymer electrolytes

Poly(methylmetacrylate)/poly(ethylene oxide) (PMMA/PEO) based polymer electrolytes were synthesized using the solution cast technique. Four systems of PMMA/PEO blends based polymer electrolytes films were investigated:

1. PMMA/PEO system,
2. PMMA/PEO + ethylene carbonate (EC) system,
3. PMMA/PEO + lithium hexafluorophosphate (LiPF₆) system and
4. PMMA/PEO + EC + LiPF₆ system.

The polymer electrolytes films were characterized by Impedance Spectroscopy and Fourier Transform Infrared Spectroscopy (FTIR). The FTIR spectra show the complexation occurring between the polymers, plasticizer and lithium salt. The FTIR results give further insight in the conductivity enhancement of PMMA/PEO blends based polymer electrolytes.