The accurate calculation of the free energy of interaction of protein-water-ligand systems has an important role in molecular recognition and drug design that is often not fully considered. We report free energy thermodynamic integration calculations used to evaluate the effects of inclusion, neglect, and targeting and removal (i.e., systematic substitution by ligand functional groups) of an im...

BACKGROUND Hypotonic i.v. solutions can cause hyponatraemia in the context of paediatric surgery. However, this has not been demonstrated in neonatal surgery. The goal of this study was to define the relationship between infused perioperative free water and plasma sodium in neonates. METHODS Newborns up to 7 days old undergoing abdominal or thoracic surgery were included in this prospective, ...

In this work, we studied the effect of carboxylic acid on the rheological properties of a high-alumina cement mortar (CH45) produced by the Algerian firm REFRACTAL.The investigated properties are setting time, water consumption, electrical conductivity, pH, density and the compressive strength. The results show a setting time of about 200 min for the acid...

Inappropriate responsiveness of the stress system may cause numerous alterations in endocrine, metabolic and autonomic systems. Many studies have been carried out on the effects of acute stress on thyroid function but the effects of chronic stress have not been fully investigated. The purpose of this study is to evaluate the effects of long term handling stress on thyroid function. Study was pe...

A theoretical study at the B3LYP/6-31++G(d,p) level was performed on the tatumerization of 7H-purine-2, 6-diamine into 9H-purine-2, 6-diamine. Such a tautomerism can take place via three different pathways namely A, B, and C. The energetic results associated with the gas phase reveal that pathways A, B, and C display a very high activation Gibbs free energy of 45.1, 68.6 and 48.9 kcal/mol, resp...

Using the evaporating method, the solubility of potassium Nitrate was determined in various mixtures containing Water and Ethanol at 25°C. The results show that the solubility of KNo3 decreases with increasing the mass percent of Ethanol in the mixtures. This trend is along with decreasing the dielectric constant of Water+Ethanol mixtures. Moreover, it can be concluded that the totqal solubilit...

The apparent diffusion coefficient (ADC) of Na(+) was determined in live rat brain. The brain extracellular-to-intracellular Na(+) content ratio is approximately 8:2, which is the inverse of that for water in these spaces. Consequently, the ADC of Na(+) is primarily affected by motion in the extracellular space, and Na(+) can be viewed as a reporter molecule for motion in that space. Likewise, ...

  Objective(s): The objective of this study was to design a topical microemulsion of Vit B12 and to study the correlation between internal structure and physicochemical properties of the microemulsions. Microemulsions are thermodynamically stable mixtures of water, oil, surfactants and usually cosurfactants with several advantages for topical and transdermal drug delivery. The formul...