Complexation of moricizine with nicotinamide and evaluation of the complexation constants by various methods

Molecular Dynamics Simulations of Hydrotropic Solubilization and Self-Aggregation of Nicotinamide

“…Historically, stoichiometric ratios of solute-hydrotrope complexes were estimated to be 1:1 or 1:2. 12,21,22 Likewise, the selfaggregation of NA was previously characterized to be dimmers and trimers. 7 The highest self-aggregation number of NA reported appears to be 4.37.…”

“…15,16 Prompted by this proposal, some researchers estimated stoichiometric ratios of these complexes, most often 1:1 or 1:2, by fitting the phase solubility data to the relevant kinetics. 12,21,22 Yet, this mechanism has been questioned from several fronts. First, complexation poorly explains why fairly high concentrations (usually 1-2 M) of hydrotropes are often needed for hydrotropic solubilization to occur.…”

Synergic Effects of Polymeric Additives on Dissolution and Crystallization of Acetaminophen

“…However, it is not suitable to conclude that there were no interactions between acetaminophen and small molecules. For example, the aqueous solubility of acetaminophen was slightly lower in high concentration solutions of glucose or sucrose, but it was higher in an aqueous solution of 2-pyrrolidinone which has both hydrophobic and hydrophilic segments (22,23). Based on the proposed dynamic adsorption model, those small molecules may have interactions with crystal surface, but the interactions are very dynamic and cannot induce visible effects on etching patterns and crystallization.…”

Hetero-association of aromatic molecules in aqueous solution

“…The following hypothesis was formulated [225]. CAF and NMD molecules are well known as effective hydrotropes increasing the solubility of aromatic drugs via the hetero-association mechanism [163,[194][195][196]. However, their hydrotropic potency is limited due to their intrinsic ability to self-associate.…”