The multifunctional nature of Alzheimer's disease calls for MTDLs (multitarget-directed ligands) to act on different components of the pathology, like the cholinergic dysfunction and amyloid aggregation. Such MTDLs are usually on the basis of cholinesterase inhibitors (e.g. tacrine or huprine) coupled with another active molecule aimed at a different target. To aid in the design of these MTDLs,...

Heat capacities, standard enthalpies of formation and entropies for 339 polybrominated/chlorinated dibenzo-p-dioxins (PXDDs) in the gas state were calculated using the density functional theory to construct a consistent set of thermodynamic values. The heat capacities and the entropies for PXDDs increase with increase in the substitute number of bromine and chlorine. As the degree of brominatio...

Chlorine dioxide (ClO2) is an unstable green-yellowish gas with an irritating odor [1]. In water, ClO2 exists as free radicals and as a powerful oxidizing agent, it reacts easily with reducing agents. The end products of ClO2 reactions are chloride (Cl-), chlorite (ClO-), and chlorate (ClO3) [2]. Chlorine dioxide is a promising food preservative as a substitute for chlorine (Cl2) because unlike...

The predominant nitrosamine observed in drinking water is N-nitrosodimethylamine (NDMA). NDMA may be formed via a nitrosation mechanism when sufficient nitrite is present and chlorine is primarily in the form of hypochlorous acid (HOCl). However, NDMA is typically not formed in the presence of free chlorine. NDMA may also be formed via a non-nitrosation mechanism in the presence of chloramines....

Pure water has been used to dechlorinate aliphatic organics without the need for catalysts or other additives. Dehydrohalogenation (loss of HCI with the formation of a double bond) occurred at temperatures as low as 105-200 degrees C for 1,1,2,2-tetrachloroethane, lindane (1,2,3,4,5,6-hexachlorocyclohexane, gamma-isomer), and dieldrin (1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahy...

Cyanuric acid hydrolases are of industrial importance because of their use in aquatic recreational facilities to remove cyanuric acid, a stabilizer for the chlorine. Degradation of excess cyanuric acid is necessary to maintain chlorine disinfection in the waters. Cyanuric acid hydrolase opens the cyanuric acid ring hydrolytically and subsequent decarboxylation produces carbon dioxide and biuret...

Chlorine is used as a disinfectant in the water treatment process so that treated delivered safely to consumers. However, chlorine concentration decays when flows from plant supply point, due reaction with natural organic matter and inner surface of pipe. Low may encourage bacteria re-growth, while high can result formation harmful chemical components. Therefore, this study aims simulate comple...

Drinking water disinfection was shown to be an important public health measure around the turn of the century. In the United States, it was perhaps the single most important factor in controlling typhoid fever, a waterborne disease that was rampant throughout the world during the last century. It may also be assumed that disinfection was important in limiting the number of cases of other diseas...

The role of halogens in both the marine boundary layer and the stratosphere has long been recognized, while their role in the free troposphere is often not considered in global chemical models. However, a careful examination of free-tropospheric chemistry constrained by observations using a full chemical data assimilation system shows that halogens do play a significant role in the free troposp...