Probing activated radioprotection of simple hydrophilic phosphonic acids in aqueous solution

Amino Acids in Aqueous Solution

In the previous chapter, the focus was mainly on the behavior of ions in solution. The effect of concentration, solvent, as well as pH have been investigated; furthermore, alkali metal ions as well as transition metal ions have been studied. In this chapter, the investigation will be extended from ions to molecules, more specifically toward the behavior of amino acids in solution. Amino acids a...

Quantum mechanics investigation of acid dissociation constant of carboxylic acids in aqueous solution

According to the Bronsted definition, any compound which has a hydrogen atom is an acid, since itmay be lost as a proton. A thermodynamical cycle is proposed to calculate absolute pKa values forBronsted acids in aqueous solution. The equilibrium of dissociation of a Bronsted acid depends onthe interaction of the acid and its conjugate base with solvent molecules. There fore the pKa valuedepends...

Investigate formation constant of some Amino Acids by p-sulphonato-calix (4) arene in Aqueous Solution

The formation constants (log K), of the complexes formed between a number of amino acids(glycine , L-valine and L-alanine) with p-sulfonatocalix [4] arene at varying temperatures (25± 0.1to 65 ± 0.1 °C) in aqueous solutions and at natural pH of p-sulphonato-calix [4] arene (pH=3.2) bymeans of UV-Vis spectrophotometeric technique have been investigated. At this pH the guestmolecule is in its cat...

Adsorption of Volatile Organic Compounds from Aqueous Solution by Granular Activated Carbon (GAC) in Batch System

Aqueous Amino Acids and Proteins Near the Surface of Gold in Hydrophilic and Hydrophobic Force Fields

We calculate potentials of the mean force for twenty amino acids in the vicinity of the (111) surface of gold, for several dipeptides, and for some analogs of the side chains, using molecular dynamics simulations and the umbrella sampling method. We compare results obtained within three different force fields: one hydrophobic (for a contaminated surface) and two hydrophilic. All of these fields...