Solute-solvent interaction and DFT studies on bromonaphthofuran 1,3,4-oxadiazole fluorophores for optoelectronic applications.

In the present work, computational and experimental studies were carried out to explore the photophysical properties of bromonaphthofuran substituted 1,3,4-oxadiazole derivatives for optoelectronic applications. Density functional theory (DFT) was used to demonstrate the electronic and optical properties of the synthesised molecules. The theoretical ground state dipole moments of the fluorophores in gas and solvent environments were also computed using Gaussian 09W software.

A simple software for swift computation of photon and charged particle interaction parameters: PAGEX.

PAGEX is a compact and user-friendly cross-platform software developed for swift computation of photon (X-ray and γ-ray) and charged particle interaction parameters for various applications. It is designed based on well-established theoretical formulations and computational techniques integrating various Python packages to effectively calculate parameters such as partial/total photon interaction cross-sections and mass attenuation coefficients, charged particle mass stopping powers and cross-sections, effective atomic number and electron density, mass-energy absorption coefficient, KERMA and build-up factors over a wide energy range. This tool is capable of generating both tabular and graphical outputs which can be saved in any user desired format.

Natural polymer-based hydrogels as prospective tissue equivalent materials for radiation therapy and dosimetry.

Natural polymer-based hydrogels have been extensively employed in tissue engineering and biomedical applications, owing to their biodegradability and biocompatibility. In the present work, we have investigated the efficacy of hydrogels such as agarose, hyaluronan, gelatin, carrageenan, chitosan, sodium alginate and collagen as tissue equivalent materials with respect to photon and charged particle (electron, proton and alpha particle) interactions, for use in radiation therapy and dosimetry. Tissue equivalence has been investigated by computing photon mass energy absorption coefficient (μ/ρ), kinetic energy released per unit mass (KERMA), equivalent atomic number (Z) and energy absorption build-up factors (EABF) relative to human tissues (soft tissue, cortical bone, skeletal muscle, breast tissue, lung tissue, adipose tissue, skin tissue, brain) in the energy range of 0.

Micro and nano BiO filled epoxy composites: Thermal, mechanical and γ-ray attenuation properties.

Polymer composites have attracted considerable attention as potential light-weight and cost-effective materials for radiation shielding and protection. In view of this, the present work focusses on development of lead-free composites of diglycidyl ether of bisphenol A (DGEBA) epoxy resin with micro (~ 10 μm) and nano (~ 20 nm) bismuth (III) oxide (BiO) fillers, using solution casting technique. Thermal, mechanical and γ-ray attenuation properties of the composites were studied by varying the filler loading.

Synthetic polymer hydrogels as potential tissue phantoms in radiation therapy and dosimetry.

The efficacy of synthetic polymers as hydrogel phantoms for radiation therapy and dosimetry has been investigated for photon and charged particle (electron, proton and alpha particle) interactions. Tissue equivalence has been studied in terms of photon mass energy-absorption coefficients, KERMA (kinetic energy released per unit mass), equivalent atomic number and energy absorption build-up factors, relative to human tissues (skin, soft tissue, cortical bone and skeletal muscle), in the energy range 0.015-15 MeV.