Density functional theory for investigation of optical and spectroscopic properties of zinc-quinonoid complexes as semiconductor materials

Structural Chemistry - Three Zn(II) complexes of a new organic compound [(E)-4-methyl-N1-((E)-4-methyl-6-(p-tolylimino) cyclohex-3-en-1-ylidene)-N2-(p-tolyl) benzene-1, 2-diamine] (HMBD) were...     

Self‐Healing Polyester Urethane Supramolecular Elastomers Reinforced with Cellulose Nanocrystals for Biomedical Applications

Stretchable self‐healing urethane‐based biomaterials have always been crucial for biomedical applications; however, the strength is the main constraint of utilization of these healable materials. Here, a series of novel, healable, elastomeric, supramolecular polyester urethane nanocomposites of poly(1,8‐octanediol citrate) and hexamethylene diisocyanate reinforced with cellulose nanocrystals (CNCs) are introduced. Nanocomposites with various amounts of CNCs from 10 to 50 wt% are prepared using solvent casting technique followed by the evaluation of their microstructural features, mechanical properties, healability, and biocompatibility. The synthesized nanocomposites indicate significantly higher tensile modulus (approximately 36–500‐fold) in comparison to the supramolecular polymer alone. Upon exposure to heat, the materials can reheal, but nevertheless when the amount of CNC is greater than 10 wt%, the self‐healing ability of nanocomposites is deteriorated. These materials are capable of rebonding ruptured parts and fully restoring their mechanical properties. In vitro cytotoxicity test of the nanocomposites using human dermal fibroblasts confirms their good cytocompatibility. The optimized structure, self‐healing attributes, and noncytotoxicity make these nanocomposites highly promising for tissue engineering and other biomedical applications.     

Design,synthesis, characterization and catechol oxidase activity of novel class of multi-tripodal pyrazole and triazole-based derivatives

Research on Chemical Intermediates - A class of novel multi-tripodal ligands has been prepared via condensation reaction between pyrazole or triazole moieties and...     

Stabilization of self‐assembled microdroplets using short chain alcohols

The condensation of water vapor on a volatile polymeric solution leads to a porous surface after evaporation of both solvent and water. However, the stabilization of the water microdroplet is of great importance, which can be achieved using specific polymer or adding a third substance to the polymer solution. Short chain alcohols (methanol, ethanol, and n‐propanol) are utilized to fabricate a self‐assembled porous honeycomb film of linear, low molecular weight polystyrene using the breath figure technique. A combination of breath figure processing and the effect of alcohol on a water droplet can stabilize the pattern and make pores on the surface of the polymer film. The quality of the porous honeycomb film is strongly dependent on the type of alcohols and the concentration of polymer. In a specific range of polymer and alcohol concentration, pores cover all the surface of the polymer film. This method offers the possibility of producing a honeycomb structure with no trace of additive residual after the fabrication process and avoiding polymer modification. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2015 , 53, 709–718     

Escape of a forced-damped particle from weakly nonlinear truncated potential well

Nonlinear Dynamics - Escape from a potential well is an extreme example of transient behavior. We consider the escape of the harmonically forced particle under viscous damping from the benchmark...     

Improved microwave steam distillation apparatus for isolation of essential oils. Comparison with conventional steam distillation

Steam distillation (SD) is routinely used by analysts for the isolation of essential oils from herbs, flowers and spices prior to gas chromatographic analysis. In this work, a new process design and operation for an improved microwave steam distillation (MSD) of essential oils from aromatic natural products was developed. To demonstrate its feasibility, MSD was compared with the conventional technique, SD, for the analysis of volatile compounds from dry lavender flowers (Lavandula angustifolia Mill., Lamiaceae). Essential oils isolated by MSD were quantitatively (yield) and qualitatively (aromatic profile) similar to those obtained by SD, but MSD was better than SD in terms of rapidity (6 min versus 30 min for lavender flowers), thereby allowing substantial savings of costs in terms of time and energy. Lavender flowers treated by MSD and SD were observed by scanning electron microscopy. Micrographs provide evidence of more rapid opening of essential oil glands treated by MSD, in contrast to conventional SD.     

Quantum amplified isomerization in polymers based on triplet chain reactions

Photoinitiated triplet quantum amplified isomerizations (QAI) of substituted Dewar benzene derivatives in polymeric media are reported. The quantum efficiencies and the ultimate extents of reactant-to-product conversions increase significantly with the incorporation of appropriate co-sensitizers; compounds whose triplet energies are similar to or lower than that of the sensitizer and close to that of the reactant. These co-sensitizers serve to promote chain-propagating energy transfer processes and thereby increase the action sphere of photosensitization. Isomerization quantum yields increase, as predicted, with increasing concentrations of the reactants and the co-sensitizers. Chain amplifications as large as approximately 16 and extents of conversion that approach 100% have been achieved. Mechanistic schemes are proposed to account for the dynamics of the inherent energy transfer processes and provide a predictively useful model for the design of a new class of photoresponsive polymers based on changes in the refractive index of the materials.     

Targeted Delivery of Anticancer Drug Loaded Charged PLGA Polymeric Nanoparticles Using Electrostatic Field

Pure positive electrostatic charges (PPECs) show suppressive effect on the proliferation and metabolism of invasive cancer cells without affecting normal tissues. PPECs are used for the delivery of drug-loaded polymeric nanoparticles (DLNs) capped with negatively charged poly(lactide-co-glycolide) (PLGA) and Poly(vinyl-alcohol) PVA into the tumor site of mouse models. The charged patch is installed on top of the skin in the mouse models' tumor region, and the controlled selective release of the drug is assayed by biochemical, radiological, and histological experiments on both tumorized models and normal rats' livers. It is found that DLNs synthesized by PLGA show great attraction to PPECs due to their stable negative charges, which would not degrade immediately in blood. The burst and drug release after less than 48h of this synthesized DLNs are 10% and 50%, respectively. These compounds can deliver the loaded-drug into the tumor site with the assistance of PPECs, and the targeted-retarded release will take place. Hence, local therapy can be achieved with much lower drug concentration (conventional chemotherapy [2 mg kg⁻¹] versus DLNs-based chemotherapy [0.75 mg kg⁻¹]) with negligible side effects in non-targeted organs. PPECs have many potential clinical applications for advanced-targeted chemotherapy with the lowest discernible side effects.