Evaluating Musculoskeletal Complications Among Individuals With Diabetes Mellitus

Dr. Simran Maheshwari; Dr. Subhan Quraishi; Dr. Babita Ghodke

Volume : II, Issue : I, January - 2013

Evaluating Musculoskeletal Complications Among Individuals With Diabetes Mellitus

Dr. Simran Maheshwari, Dr. Subhan Quraishi, Dr. Babita Ghodke

Abstract :

The geometries, electronic structures, polarizabilities, and hyperpolarizabilities of organic dye sensitizer 4–Amino–3–Nitrobenzonitrile was studied based on ab initio HF and Density Functional Theory (DFT) using the hyid functional B3LYP. Ultraviolet–visible (UV–Vis) spectrum was investigated by Time Dependent DFT (TDDFT). Features of the electronic absorption spectrum in the visible and near–UV regions were assigned based on TDDFT calculations. The absorption bands are assigned to π→π* transitions. Calculated results suggest that the three excited states with the lowest excited energies in 4–Amino–3–Nitrobenzonitrile is due to photoinduced electron transfer processes. The interfacial electron transfer between semiconductor TiO2 electrode and dye sensitizer 4–Amino–3–Nitrobenzonitrile, is due to an electron injection process from excited dye to the semiconductor�s conduction band. The role of nitro group in 4–Amino–3–Nitrobenzonitrile in geometries, electronic structures, and spectral properties were analyzed.