Interactions of certain amino acids with some metal ions have significant consequences in biological systems. Metal ions can act as co-factors in the regulation of enzymatic reactions. Interactions of metal ions with amino acid side chains or with different organic complexes is also essential for many biological events. In this study, the stability constants of 1 : 1 : 1 ternary complexes of Cu...

The detailed solvation structure at the (110) surface of rutile (alpha-TiO2) in contact with bulk liquid water has been obtained primarily from experimentally verified classical molecular dynamics (CMD) simulations of the ab initio-optimized surface in contact with SPC/E water. The results are used to explicitly quantify H-bonding interactions, which are then used within the refined MUSIC model...

Since there is no flue-gas desulfurization facility (FGD) in Australian Power Plants, the temperatures of flue gases from the plants range from 393–433 K which is much higher than the absorption temperatures in a typical post combustion CO2 capture (PCC) process. The additional cooling systems and equipments are required to cool flue gases. This adds to the cost, and water and energy consumptio...

High yielding synthetic routes to 3’,5’-diamino-2’,3’,5’-trideoxycytidine and 3’,5’-diamino-2’,3’,5’-trideoxyadenosine are described. In addition, the protonation behavior of 3’,5’-diamino-2’,3’,5’-trideoxycytidine, 3’,5’-diamino-2’,3’,5’-trideoxyadenosine, 3’,5’diamino-3’,5’-dideoxythymidine, and 3’,5’-diamino-2’,3’,5’-trideoxyuridine has been studied by means of pH-metric measurements and NMR...

The p K(a) values of 6-fluoro-4,8-diazadodecane-1,12-diamine (6-fluorospermine) (1), 6,6-difluoro-4,8-diazadodecane-1,12-diamine (6,6-difluorospermine) (2), 6-fluoro-4-azaoctane-1,8-diamine (6-fluorospermidine) (3) and 6,6-difluoro-4-azaoctane-1,8-diamine (6,6-difluorospermidine) (4) in D(2)O solution have been determined at 40 degrees C from (13)C NMR chemical shifts data using the new compute...

Protonation and carbamate formation are critical reactions for CO2 capture using amine-based absorbents which impact both absorption amine regeneration. In this regard, thermodynamic analysis towards in N-methylaminoethanol solution is carried out with specific attention to the corresponding protonation reactions. The mechanism investigated acquisition of reaction equilibrium constant heat reac...

The protonation constant of hexamethylenetetramine (urotropine) was determined by a potentiometric and a spectrophotometric method. The calculations gave log K(HL) (concentration constants): 4.89 at mu = 0.1 and 5.05 at mu = 0.5. The temperature was 25 degrees and potassium chloride was used to adjust the ionic strength.