Assessment of aquatic effects requires the derivation of a predicted no-effect concentration (PNEC). In the framework of the Dutch ‘‘Plan of Action Laundry and Cleaning Products,’’ PNECs were derived for linear alkyl benzene sulfonate (LAS), alcohol ethoxylates (AE), alcohol ethoxylated sulfates (AES), and soap. All stages in an aquatic effects assessment were used: initial (assessment factors ...

High-level ab initio calculations have been used to construct linear free-energy relationships describing the kinetics and thermodynamics of the combination and dissociation reactions between alkyl radicals and nitroxides in terms of easily accessible parameters that quantify the electronic, steric and radical stabilization characteristics of the coreactants. For the gas-phase equilibrium const...

One of the efforts to minimize impact detergent waste pollution is by adsorption using coffee dregs and coconut adsorbents. The purpose this study was determine optimum mass grounds pulp as adsorbents, compare effectiveness their absorption in decreasing levels Linear Alkyl Benzene Sulfonate, isotherm models. This research conducted batches with variations each adsorbent, namely 1 gram, 2 grams...

The growth of gold thiolate nanoparticles can be affected by the solvent and the R group on the ligand. In this work, the difference between methanol and benzene solvents as well as the effect of alkyl (methyl) and aromatic (phenyl) thiols on the reaction energies and barrier heights is investigated theoretically. Density functional theory (DFT) calculations using the BP86 functional and a trip...

The detailed synthesis of highly hydrophobic average pore benzene-bridged hybrid mesoporous silicas under an acidic medium is described. With the use of a 1,4-bis(triethoxysilane)benzene silsesquioxane precursor and biodegradable alkyl polyoxyethylene (Brij-56 or Brij-76) nonionic surfactant oligomers as supramolecular templates, no molecular scale periodicity was observed. The well-defined mes...

The reactions in benzene of 9-alkyl-3-aminocarbazoles with ethyl-3-oxobutanoate yielded ethyl-3-[(9-alkyl-9H-carbazol-3-yl)amino]but-2-enoate condensation products or N-(9-ethyl-9H-carbazol-3-yl)-3-oxobutanamide acylation products. The condensation products were cyclized to the corresponding 4,7-dihydro-pyrido[2,3-c]-carbazol-1-ones upon heating in mineral oil at 240-250 degrees C. The structur...