Water-soluble, carboxylic acid monomers are known to exhibit peculiar kinetics when polymerized in aqueous solution. Namely, their free-radical polymerization rate is affected by several parameters such as monomer concentration, ionic strength, and pH. Focusing on methacrylic acid (MAA), even though this monomer has been largely addressed, a systematic investigation of the effects of the above-...

background & aim: salvia officinalis is known as a traditional medicine for several diseases in countries like lebanon, syria, jordan, etc. in addition, s. officinalis has been subjected to several studies in a try to specify its medicinal effects. this study aims to evaluate the antimicrobial activity of this plant. the aim of the present research was to study antibacterial effects of s. o...

The electronic structure of ionized bulk liquid water presents a number of theoretical challenges. Not the least of these is the realization that the detailed geometry of the hydrogen bonding network is expected to have a strong effect on the electronic couplings between water molecules and thus the degree of delocalization of the initially ionized system. This problem is approached from a clus...

Graphitized multiwalled CNTs (carbon nanotubes) were purchased from ECHO Chemical Co. Ltd. (Taiwan) with an external diameter of 2040 nm and a length of 0.5200 m. The raw CNT powder was etched in 15 M boiling nitric acid solution for 1h. The CNTs were then washed several times with de-ionized water until the pH value of the solution became neutral. Nickel hydroxide nanonets were grown on the...

The frozen natural orbital (FNO) approach, which has been successfully used in ground-state coupled-cluster calculations, is extended to open-shell ionized electronic states within equation-of-motion coupled-cluster (EOM-IP-CC) formalism. FNOs enable truncation of the virtual orbital space significantly reducing the computational cost with a negligible decline in accuracy. Implementation of the...

The solubility-permeability relationship of active pharmaceutical ingredients determines the efficacy of their usage. Diclofenac (DCL), which is a widely used nonsteroidal anti-inflammatory drug, is characterized by extremely good membrane permeability, but low water solubility limiting drug effectiveness. The present research focuses on the fundamental explanation of this limitation using the ...