The thermodynamic characteristics of oligosaccharide binding to an antibody binding site that is dominated by aromatic amino acids suggest that the hydrophobic effect contributes substantially to complex formation as well as hydrogen bonding and van der Waals interactions. A detailed titration microcalorimetric study on the temperature dependence of the binding of a trisaccharide, representing ...

Using UV-Vis spectrophotometric method the interaction of water soluble phthalocyanine, Cobalt(ΙΙ) 4,4′,4′′,4′′′- tetrasulfophthalocyanine(CoTSPc), with bovine serum albumin (BSA) to determine the formation constant and related thermodynamic functions. The measurements were considered in 1mM sodium phosphate buffer, pH 7.0 and at 5 different temperatures 20, 25, 30, 35 and 40ºC. The results sho...

In this study, the reaction of 3-Picrylamino-1, 2, 4-Triazole (PATO) with B12N12 was investigated by density functional theory in the B3LYP/6-31G(d) level of theory. There were two possible isomers for reaction of PATO with B12N12 via carbon and nitrogen atoms of triazole ring to the Born atom of B12N12 (I and II-isomers). Thermo...

Titrations of actinomycin D (AMD) with dG and with dG-dC were monitored by circular dichroism at 380 nm and 470 nm. These wavelengths are sensitive predominantly to nucleotide binding processes at the benzenoid and quinoid portions, respectively, of the phenoxazone ring of the drug chromophore [Auer, H.E., Pawlowski-Konopnicki, B.E., Chiao, Y.C.C. & Krugh, T.R. (1978), Biopolymers, 17, 1891-191...

The ability of time-resolving enthalpy (∆H) and structural volume (∆V) changes in the nanoto μs time range offered by laser-induced optoacoustic spectroscopy (LIOAS) opens the possibility of a stepwise thermodynamic analysis of chromophore-medium interactions upon photoinduced reactions in biological systems. We applied LIOAS to biological photoreceptors, as well as to model systems, with the p...

The complexation reaction between 1,13-bis(8-quinolyl)-1,4,7,10,13-pentaoxatridecane (Kryptofix5) ligand with Zn2+, Ni2+, Co2+, Pb2+, Mn2+ and Cu2+ ions were studied conductometrically in different AcetoNitrile-NitroMethane (AN-NM) and AcetoNitrile-Methanol (AN-MeOH) mixtures. The formation constants of the resulting...

Thermodynamic analysis provides access to the determinants of binding affinity, enthalpy and entropy. In fragment-based drug discovery (FBDD), thermodynamic analysis provides a powerful tool to discriminate fragments based on their potential for successful optimization. The thermodynamic data generated by FBDD studies can in turn be used to better understand the forces that drive biomolecular i...

The kinetics and thermodynamics of berberine inclusion in cucurbit[7]uril was studied by stopped-flow method, fluorescence titrations, and isothermal calorimetry in neat water. The ~500-fold fluorescence intensity enhancement upon encapsulation was exploited to monitor the complex formation in real time at various temperatures. The increase in the fluorescence intensity could be fitted well by ...

Using microcalorimetry, we follow changes in the association free energy of beta-cyclodextrin (CD) with the hydrophobic part of adamantane carboxylate (AD) due to added salt or polar (net-neutral) solutes that are excluded from the molecular interacting surfaces. Changes in binding constants with solution osmotic pressure (water activity) translate into changes in the preferential hydration upo...