Photodegradation of organic water pollutants under visible light using anatase F, N co-doped TiO/SiO nanocomposite: Semi-pilot plant experiment and density functional theory calculations.

Visible-light driven photocatalysts are of great importance in wastewater treatment. In this work, fluorine and nitrogen co-doped titanium dioxide/silica nanocomposite (F-N-TiO/SiO) was synthetized using a sol-gel approach. The as-developed nanocomposite was well characterized using different techniques.

Multi-stage screening to predict the specific anticancer activity of Ni(II) mixed-ligand complex on gastric cancer cells; biological activity, FTIR spectrum, DNA binding behavior and simulation studies.

The anticancer activity of a transition metal complex with [Ni(L)L]HO (where L and L were acetylacetonato (acac) and 2-aminopyridine (2-ampy), respectively) was evaluated in MKN45 cell line. Methyl thiazolyl tetrazolium (MTT) assay was performed to assess the antitumor capacity of the Ni(II) complex against gastric cancer cell line MKN45. The complexexhibited high in vitro antitumor activity against MKN45 cells with ICvalues of 1.

Carboxymethyl cellulose improved adsorption capacity of polypyrrole/CMC composite nanoparticles for removal of reactive dyes: Experimental optimization and DFT calculation.

In this study, polypyrrole/carboxymethyl cellulose nanocomposite particles (PPy/CMC NPs) were synthesized and applied for removal of reactive red 56 (RR56)and reactive blue 160 (RB160) as highly toxic dyes. The amount of CMC was found significantly effective on the surface adsorption efficiency. Different optimization methods including the genetic programming, response surface methodology, and artificial neural network (ANN) were used to optimize the effect of different parameters including pH, adsorption time, initial dye concentration and adsorbent dose.

A pH-responsive citric-acid/α-cyclodextrin-functionalized FeO nanoparticles as a nanocarrier for quercetin: An experimental and DFT study.

Developing new nanocarriers and understanding the interactions between the drug and host molecules in the nanocarrier at the molecular level is of importance for future of nanomedicine. In this work, we synthesized and characterized a series of iron oxide nanoparticles (IONPs) functionalized with different organic molecules (citric acid, α-cyclodextrin, and citric acid/α-cyclodextrin composite). It was found that incorporation of citric acid into the α-cyclodextrin had negligible effect on the adsorption efficiency (<5%) of citric acid/α-cyclodextrin functionalized IONPs, while the isotherm adsorption data were well described by the Langmuir isotherm model (q = 2.

Identification of new potential cyclooxygenase-2 inhibitors: insight from high throughput virtual screening of 18 million compounds combined with molecular dynamic simulation and quantum mechanics.

The cyclooxygenase isoenzymes (COX-1 and COX-2) have a critical role in inflammation, fever, and pain. In contrary to COX-1, COX-2 is specifically expressed in inflamed tissues. Because of the subtle difference between both enzyme active sites, targeting COX-2 represents an efficient strategy for the development of novel inhibitors against inflammation with fewer side effects.

Preparation, physicochemical properties, in vitro evaluation and release behavior of cephalexin-loaded niosomes.

In this study, optimized cephalexin-loaded niosomal formulations based on span 60 and tween 60 were prepared as a promising drug carrier system. The niosomal formulations were characterized using a series of techniques such as scanning electron microscopy, Fourier transformed infrared spectroscopy, dynamic light scattering, and zeta potential measurement. The size and drug encapsulation efficiency are determined by the type and composition of surfactant.

Spectroscopic studies of the interaction between alprazolam and apo-human serum transferrin as a drug carrier protein.

The interaction between apo-human serum transferrin (Apo-hTf) and alprazolam was investigated using various spectroscopic techniques. The drug quenched the fluorescence intensity of Apo-hTf and the mechanism behind the quenching was static. The thermodynamic parameters (ΔG, ΔH, and ΔS) that obtained from tryptophan fluorescence study revealed that the interactions between alprazolam and Apo-hTf were spontaneous.