Comparisons of Indefinite Self-Association Models

Complexation of norfloxacin with DNA in the presence of caffeine

“…The structural and thermodynamical parameters of the self-association of NOR have been determined from the experimental concentration and temperature dependences of proton chemical shifts (Fig.2a,b). It can be seen from Figure 2a that increasing the concentration of the drug results in upfield shifts (low frequency shifts) of aromatic protons, which is indicative of self-association of NOR by formation of stacked aggregates [17][18][19].…”

General statistical-thermodynamical treatment of one-dimensional multicomponent molecular hetero-assembly in solution

“…of molecules of the ith type is represented as an additive quantity (for example, see Refs. [17][18][19][20][22][23][24][25][26]), which can be obtained by the averaging of particular observables, n Another assumption commonly used in analysis of a onedimensional assembly is the approximation of 'nearest neighbour', which considers that only the nearest molecules (in direct contact with the i-type molecule in a complex) influence the n 0i of that molecule (for example, see Refs. [17,18,22,24]).…”

“…[9,17] for review) and two-component hetero-assembly (see Refs. [8,18] for review) leading to formation of aggregates, containing one type or two different types of molecules, respectively, ordered along a certain axis.…”

“…[17]) and have recently been overcome for two-component hetero-assembly [24]. The closest approaches to similar solutions for multicomponent systems have been suggested using the algorithmic approach [25], transfer matrix formalism [22] and sequence generating function formalism [26].…”

The art of stacking: structural folding and self-assembly of branched π-conjugation assisted by O–H⋯O and C–H⋯F hydrogen bonds

“…z Self-association of 1 in solution was subsequently investigated by concentration-dependent 1 H NMR studies in CDCl 3 at T = 298 K. A systematic downfield shift of the propargylic O-H resonance from 2.52 to 2.73 ppm with increasing concentration within the range of 10 to 40 mM could be fitted with K = 4.1 (AE0.5) M À1 using the EK model. 15 This observation implicated the involvement of O-HÁ Á ÁO hydrogen bonding in the self-association process, which should become more favorable with decreasing polarity in the CHCl 3 /hexane binary solvent mixture used in crystallization.…”