Morphology, Properties and Application of Iron Oxide/Polycaprolactone Nanocomposites

Polycaprolactone (PCL) and Fe2O3/PCL nanocomposites sheets/films were prepared by solution casting method. The morphological study illustrated that Fe2O3 nanoparticles were dispersed and embedded well within the PCL matrix. The size of Fe2O3 nanoparticles were below 250 nm. The thermal stability of Fe2O3/PCL nanocomposites was lower than neat PCL, which might be due to Fe2O3 (act as catalyst during the thermal degradation of PCL). The differential scanning calorimetry (DSC) analyses show that the crystallization temperature of the nanocomposites was slightly enhanced as compared to neat PCL. The polarized optical microscopy (POM) analyses showed that the size of Fe2O3/PCL nanocomposites spherulites were smaller than neat PCL. The photodegradation study presented that the nanocomposites photodegraded higher quantity of rhodamine B dye as compared to neat PCL. The neat PCL degraded about 24 and 72% while Fe2O3 (6 wt%)/PCL nanocomposites degraded about 72 and 98% of dye within 2 and 10 h, respectively.

Morphology, Properties and Application of Iron Oxide/Polycaprolactone Nanocomposites

Polycaprolactone (PCL) and Fe2O3/PCL nanocomposites sheets/films were prepared by solution casting method. The morphological study illustrated that Fe2O3 nanoparticles were dispersed and embedded well within the PCL matrix. The size of Fe2O3 nanoparticles were below 250 nm. The thermal stability of Fe2O3/PCL nanocomposites was lower than neat PCL, which might be due to Fe2O3 (act as catalyst during the thermal degradation of PCL). The differential scanning calorimetry (DSC) analyses show that the crystallization temperature of the nanocomposites was slightly enhanced as compared to neat PCL. The polarized optical microscopy (POM) analyses showed that the size of Fe2O3/PCL nanocomposites spherulites were smaller than neat PCL. The photodegradation study presented that the nanocomposites photodegraded higher quantity of rhodamine B dye as compared to neat PCL. The neat PCL degraded about 24 and 72% while Fe2O3 (6 wt%)/PCL nanocomposites degraded about 72 and 98% of dye within 2 and 10 h, respectively.

Morphology, Properties and Application of Iron Oxide/Polycaprolactone Nanocomposites

Polycaprolactone (PCL) and Fe2O3/PCL nanocomposites sheets/films were prepared by solution casting method. The morphological study illustrated that Fe2O3 nanoparticles were dispersed and embedded well within the PCL matrix. The size of Fe2O3 nanoparticles were below 250 nm. The thermal stability of Fe2O3/PCL nanocomposites was lower than neat PCL, which might be due to Fe2O3 (act as catalyst during the thermal degradation of PCL). The differential scanning calorimetry (DSC) analyses show that the crystallization temperature of the nanocomposites was slightly enhanced as compared to neat PCL. The polarized optical microscopy (POM) analyses showed that the size of Fe2O3/PCL nanocomposites spherulites were smaller than neat PCL. The photodegradation study presented that the nanocomposites photodegraded higher quantity of rhodamine B dye as compared to neat PCL. The neat PCL degraded about 24 and 72% while Fe2O3 (6 wt%)/PCL nanocomposites degraded about 72 and 98% of dye within 2 and 10 h, respectively.

Spiro Heterocyclic Compounds as Potential Anti-Alzheimer agents (Part 2): their Metal Chelation Capacity, POM Analyses and DFT Studies

Background: One of the best methods to treat Alzheimer disease (AD) is through the effective use of cholinesterase inhibitors as vital drugs due to the identification of acetylcholine deficit in the AD patients. Objective: The present study aims the investigation of spiro heterocyclic compounds as potential AD agents supported by their metal chelation capacity, POM analyses and DFT studies respectively. Method: The cholinesterase inhibition and metal chelation ability was performed on ELISA microtiter assay. Whereas B3LYP method with 6-31+G(d,p) basis set was implemented to study HOMO-LUMO energy calculations. The pharmacokinetic properties of the synthesized molecules were studied through Petra, Osiris and Molinspiration (POM). Results: The six spiro (1-6) skeletons were tested for their inhibitory potential and metal-chelation capacity. Our findings revealed that the tested spiro skeletons exerted none or lower than 50% inhibition against both cholinesterases, while compound 4 proved to be the most active molecule with 57.21±0.89% of inhibition toward BChE. The spiro molecule 3 exhibited the highest metal-chelation capacity (9.12±5.26%). Molecular docking model for the most active molecule exhibited promising bindings with AChE and BChE’s active site pertained to hydrophobic hydrogen bonds and positive ionizable interactions. The POM analyses gave the information about the flexibility at the site of coordination of spiro compounds (1-6). Conclusion: The screening of spirocompounds (1-6) against cholinesterases revealed that some of them show considerable potential to inhibit AChE and BChE. Herein we propose that the spiro molecules after further derivatization could serve interesting AD inhibitor drugs.

DFT Study, POM Analyses and Molecular Docking of Novel Oxazaphosphinanes: Identification of Antifungal Pharmacophore Site

A computational Petra/Osiris/Molinspiration/DFT(POM/DFT) based model has been developed for the identification of physico-chemical parameters governing the bioactivity of series of oxazaphosphinanes derivatives 1a-1f containing potential antifungal O,N-pharmacophore. Molecular docking study was performed in order to evaluate synthesized compounds their possible antifungal properties and their interactions in the binding site. Molecular docking studies revealed that the compounds 1a-1f have the potential to become lead molecules in the drug discovery process. The six compounds 1a–1f analyzed here were previously synthesized by our group.