Abstract:The distinction between different types of cooperativity is essential for understanding the fundamentals involved. The three title cooperative effects arise from the interplay of intermolecular binding interactions, the presence of one or more intramolecular binding interactions, and, in the latter case, their possible interplay. A master equation for the stability of an assembly is outlined that takes into account all of the three possible types of cooperativit
“…Such a molecule would be self-complementary and could, potentially, benefit from cooperative binding 31 between the self-complementary recognition sites, thus forming a halogen-bonded dimer.…”
Computational and experimental data are used to demonstrate that the halogen bond (XB) donor properties of neutral 1,4-diaryl-5-iodo-1,2,3-triazoles are competitive with the classic pentafluoroiodobenzene XB donor.
“…Such a molecule would be self-complementary and could, potentially, benefit from cooperative binding 31 between the self-complementary recognition sites, thus forming a halogen-bonded dimer.…”
Computational and experimental data are used to demonstrate that the halogen bond (XB) donor properties of neutral 1,4-diaryl-5-iodo-1,2,3-triazoles are competitive with the classic pentafluoroiodobenzene XB donor.
“…[35][36][37] Under high-dilution conditions, where coordinating species are insufficient, a self-complementary associating system tends to form a cyclic assembly including a dimeric assembly, since the initial coordination interaction is able to induce secondary intracomplex coordination, rather than intercomplex coordination leading to a linear polymeric array. Among the possible cyclic structures, smaller rings should be entropically favorable unless enthalpic disadvantages due to the strain or distortion overweigh.…”
Section: B Basic Considerations On Coordination and Spectroscopymentioning
“…By increasing the valency of the guest molecule, the increase of identical nearby guests adds a statistical term to the equation which is likely to result in an even bigger preference for the formation of ring structures and hence, an even stronger inhibitor. 16 The results Notes and references § The complete derivation of the shown equations and the used reaction equilibria can be found in the supporting info Section 4.…”
A multicomponent host–guest system composed of synthetic small molecules as guests in a supramolecular host shows efficient protein dimerization inhibition.
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