Electronic Structure And Vibrational Analysis Of Norclozapine (8-Chloro-11-Piperazine-1-Yl-5H-Dibenzo[B,E] [1,4]Diazepine)

Introduction: N-desmethyl clozapine or norclozapine is a benzodiazepine substituted with chloro and piperazino groups which is a major metabolite of clozapine; a potent and selective 5-HT2C serotonin receptor antagonist. It has a role as a metabolite, a delta-opioid receptor agonist, and a serotonergic antagonist. It is a dibenzodiazepine, a member of piperazines, and an organochlorine compound. Methods: The structure and the ground state energy of the molecules under investigation have been analyzed employing the DFT / B3LYP level. The optimized geometry and their properties such as equilibrium energy, frontier orbital energy, dipole moment, and vibrational frequencies have been used to understand the activity of Norclozapine. Results: The calculated highest occupied molecule orbital or HOMO and the lowest unoccupied molecular orbital or LUMO energies show that charge transfer within the molecule. The vibrational spectra of IR and Raman have been interpreted with the help of the B3LYP level of theory with the 6-31G basis set from the Density function theory. Conclusions: The optimized structural parameters such as bond lengths, and bond angle were determined at B3LYP level theory with a 6-31G basis set. Simulation work of Norclozapine is in process. Simulation report of Norclozapine we will report very soon. &nbsp

Dosimetry of absolute dose to water from elekta synergy platform linear accelerator using clinical electron beam

The use of electron beams in external beam radiation therapy started in 1930 but was limited to very few medical centers due to manual calculations of dose. The development of Van de Graaff generators, Betatrons, and various generations of commercial linear accelerators led to Elekta Synergy platform linear accelerators which were capable of performing dose calculations using computer software. In the present paper, we present a study on dose calculations for electron energies in the range of 4-15 MeV. This study was pursued following the recommendations of the International Commission on Radiation Units and Measurements (ICRU) and International Atomic Energy Agency (IAEA) reports and protocols of the international code of practice TRS-381. It is based on an experimental setup using a radiation field analyzer (RFA). This comprises of PTW-Freiburg Parallel plate ionization chamber (waterproof with cap, Model TM 23343) with a sensitive volume of 0.055 cm3 and a semi-flex chamber (waterproof with cap, Model TM 30010) with a sensitive volume of 0.125 cm3 both coupled with a digital electrometer (PTW UNIDOSE). The measurements were performed on a linear accelerator (Make & Model: ELEKTA, Synergy Platform)

Dosimetry of Absolute Dose to Water From Elekta Synergy Platform Linear Accelerator Using Clinical Electron Beam

The use of electron beams in external beam radiation therapy started in 1930 but was limited to very few medical centers due to manual calculations of dose. The development of Van de Graaff generators, Betatrons, and various generations of commercial linear accelerators led to Elekta Synergy platform linear accelerators which were capable of performing dose calculations using computer software. In the present paper, we present a study on dose calculations for electron energies in the range of 4-15 MeV. This study was pursued following the recommendations of the International Commission on Radiation Units and Measurements (ICRU) and International Atomic Energy Agency (IAEA) reports and protocols of the International code of practice TRS-381. It is based on an experimental setup using a radiation field analyzer (RFA). This comprises of PTW-Freiburg Parallel plate ionization chamber (waterproof with cap, Model TM 23343) with a sensitive volume of 0.055 cm3 and a semi-flex chamber (waterproof with cap, Model TM 30010) with a sensitive volume of 0.125 cm3 both coupled with a digital electrometer (PTW UNIDOSE). The measurements were performed on a linear accelerator (Make & Model: ELEKTA, Synergy Platform)

Phyto-synthesis of silver nanoparticles from Plumeria pudica leaf extract and its application in anti-cancerous activity

AbstractIn this study, we have developed an environment friendly and novel approach for the synthesis of silver nanoparticles utilising plumeria pudica leaf extract. In this technique, the leaf extract was employed as both a reducing agent for the reduction of a silver nitrate (AgNO3) solution and a capping agent, leading to the synthesis of silver nanoparticles (Ag NPs). The outcomes of these analyses revealed an average particle size of ∼19 nm as determined by SEM, while XRD measurements indicated a crystalline domain size of ∼12 nm and a lattice parameter of approximately 4.087467 Å. Furthermore, the anti-cancer potential of the synthesised silver nanoparticles was evaluated, unveiling an IC50 value of around 28 µM. This suggests that the introduced silver nanoparticles may have triggered apoptosis, consequently inducing cell death. These findings underscore the potential of utilising environmentally benign silver nanoparticles in lung cancer chemotherapy