Sharif Digital Repository

Chrysin is a bioflavonoid which possesses a wide range of important biological activities. In present study, we used a quantum mechanical approach to shed light on the antioxidant ability and antioxidant mechanism of chrysin to scavenge hydroxyl radical (˙OH) in solution phase. The analysis of the theoretical bond dissociation enthalpy (BDE) values and spin density of the radicals to determine the delocalization possibilities at B3LYP/6-311++G** level clearly shows the importance of the A-ring and the 7-OH group in antioxidant reactivity. In the next step, the inclusion of chrysin with β-CD has been investigated extensively using theoretical methods. Density functional theory (M05-2X)... 

Stress distribution in Carbon Nanotube (CNT) reinforced composites is studied using nonlocal theory of elasticity. Two nearby CNTs are modeled as two circular inclusions embedded in an infinite elastic medium, and classical stresses are obtained using the complex stress potential method. Nonlocal stresses are calculated using nonlocal integral elasticity equation. Effects of the distance between CNTs as well as effects of the nonlocal parameters on the stress distribution and stress concentration are studied. For unit normal stress at infinity, stress at the interface of the CNT and matrix increases from 0.1 for classical analysis to 0.85 for nonlocal analysis. Furthermore, when two CNTs... 

Paclitaxel as one of the most effective anticancer drugs has low aqueous solubility. This inevitably reveals its commercial formulation in Cremophor EL®/ethanol mixture. However, this formulation leads to several severe side effects such as hypersensitivity reactions, neurotoxicity and nephrotoxicity. Inclusion complexation has been introduced as a practical approach in increasing paclitaxel aqueous solubility. To this end, a hybrid nanocarrier system based on hyperbranched polyglycerol and β-cyclodextrin is designed with key components uniquely structured at nanoscale and evaluated according to medical requirements. Paclitaxel is included in the hydrophobic cavity of cyclodextrin as guest... 

Aim: In this study, a nanosponge structure was synthesised with capability of encapsulating curcumin as a model polyphenolic compound and one of the herbal remedies that have widely been considered due to its ability to treat cancer. Methods: FTIR, DSC and XRD techniques were performed to confirm the formation of the inclusion complex of the nanosponge-drug. Results: DSC and XRD patterns showed an increasing stability and a decreasing crystallinity of curcumin after formation of inclusion complex. Encapsulation efficiency was 98% (w/w) and a significant increase was observed in loading capacity (184% w/w). The results of cytotoxicity assessments demonstrated no cell toxicity on the healthy... 

The synthesis of a new drug delivery system based on hybrid nanomaterials containing a β-CD core and hyperbranched PG is described. Conjugating PG branches onto β-CD not only increases its water solubility but also affects its host/guest properties deeply. It can form molecular inclusion complexes with small hydrophobic guest molecules such as ferrocene or FITC with reasonable release. In addition, the achievable payloads are significantly higher as for carriers such as hyperbranched PGs. Short-term in vitro cytotoxicity and hemocompatibility tests on L929 cell lines show that the hybrid nanomaterial is highly biocompatible. Due to their outstanding properties, β-CD-g-PG hybrid nanomaterials...