As a representative molecular orbital diagram, the HOMO of the indole complexed with dextrose is shown in Figure 5 a, which indicates that the frontier orbital is predominantly localized on the indole ...

Biochemical recognition processes mediated through π-stacking interactions are a potential target for rational drug synthesis. A combination of electrostatic, hydrophobic, solvation, charge-transfer, ...

Obesity is causally linked with the development of cardiovascular disorders. Accumulating evidence indicates that cardiovascular disease is the collateral damage of obesity-driven adipose tissue ...

The beating heart requires a constant flux of ATP to maintain contractile function, and there is increasing evidence that energetic defects contribute to the development of heart failure. The last 10 ...

This effectively polarizes the carboxylate scaffold to both shorten the C–C bond and weaken the C–O bonds as electron density is drawn into the antibonding molecular orbitals of the -CO 2– group (56).

The photoelectron spectra of clusters are compared to the results of quantmn-chemical ab-initio calculations (n=2-9) and to the predictions of the shell model. The shell model yields qualitative ...