Molecular dynamics (MD) simulation is an advanced tool to explore the interaction mechanism between aged bitumen and rejuvenators at nanoscale. However, general MD molecular structures of led lower quantify inaccuracy outputs. This study aims developing more realistic models represent generic for recycling. Four types (bio-oil, engine-oil, naphthenic-oil, aromatic-oil) are characterized in term...

Negative ion tandem mass spectrometric analysis of aliphatic carboxylic acids often yields only non-diagnostic ([M - H](-)) ions with limited selective fragmentation. However, carboxylates cationized with Ba(2+) have demonstrated efficient dissociation in positive ion mode, providing structurally diagnostic product ions. We report the application of barium adducts followed by collision induced ...

BACKGROUND Oil field produced water (OFPW) is widely produced in large volumes around the world. Transforming the organic matter in OFPW into bioenergy, such as biomethane, is one promising way to sustainability. However, OFPW is difficult to biologically degrade because it contains complex compounds such as naphthenic acids (NAs), or polycyclic aromatic hydrocarbons (PAHs). Although active mic...

The ATP-binding cassette (ABC) superfamily of transporter proteins is important for detoxification of xenobiotics. For example, ABC transporters from the multidrug-resistance protein (MRP) subfamily are important for excretion of polycyclic aromatic hydrocarbons (PAHs) and their metabolites. Effects of chemicals in the water soluble organic fraction of relatively fresh oil sands process affecte...

The mixture of Synthetic Petroleum Acids (SPA) and oxyacids (OSPA) have been synthesized on the basis of naphthenic-paraffinic hydrocarbons separated from 217-349°C fractions of Azerbaijan oils in the presence of the salts of Natural Petroleum Acids (NPA). The acid number of the obtained (SPA+OSPA) was 165 mgKOH/g, the yield was 40%. Imidazoline derivatives have been synthesized based on the mi...