Search results for "supramolecular"
showing 10 items of 830 documents
Mixed aggregates based on tetronic-fluorinated surfactants for selective oils capture
2015
Abstract An aqueous star-like copolymer solution was titrated with perfluoro carboxylic acids at various compositions to prepare a polymeric surfactant composed of fluorinated nano-domains. The copolymer is X-shaped where each arm contains ethylene oxide and propylene oxide repetitive units linked to a central ethylenediamine group. The aggregation behavior of the hybrid macromolecule was studied from the physico-chemical point of view by changing parameters like temperature and composition. The solubilization of perfluorinated and hydrogenated alcohols in mixed self-assembled structure revealed that a selectivity toward the fluorinated moiety can be done. The self-assembled structures are …
N-Alkyl Ammonium Resorcinarene Chloride Receptors for Guest Binding in Aqueous Environment
2016
Host systems with guest binding ability in water and/or biological fluids are a current challenge in supramolecular host–guest chemistry. Here we present the first syntheses of water-soluble N-ethanol ammonium resorcinarene chlorides (NARCls) with terminal hydroxyl groups at the upper rim. The NARCls possess deep cavities and are shown to bind a variety of guest molecules such as linear and cyclic alkanes, linear halogenated alkanes, and aromatic fluorophores (naphthalene, p-(phenylazo)phenol) in water through hydrophobic interactions, as well as 1,4-dioxane (a water soluble guest) via hydrogen bonds. The receptors are monomeric in aqueous media and form 1:1 host–guest complexes with bindin…
Temperature dependent mechanical unfolding of calixarene nanocapsules studied by molecular dynamics simulations.
2019
Using atomistic molecular dynamics simulations, we study the temperature dependence of the mechanical unfolding of a model supramolecular complex, a dimer of interlocked calixarene capsules. This system shows reversible transitions between two conformations that are stabilized by different networks of hydrogen bonds. We study the forced dissociation and formation of these networks as a function of temperature and find a strong impact of the nonequilibrium conditions imposed by pulling the system mechanically. The kinetics of the transition between the two conformations is ideally suited to investigate the range of validity of the stochastic models employed in the analysis of force dependent…
Supramolecular Adducts of Ferrocene and Five Bile Acid Derived Triolides
1997
Formation of supramolecular adducts of ferrocene (guest) and cyclic head-to-tail trimers (hosts) derived from bile acid: 3α-hydroxy-5β-cholan-24-oic acid triolide (1), 3α-hydroxy-7-oxo-5β-cholan-24-oic acid triolide (2), 3α-hydroxy-12-oxo-5β-cholan-24-oic acid triolide (3), 3α-hydroxy-7α-trifluoroacetoxy-6β-cholan-24-oic acid triolide (4) and 3α-hydroxy-12α-TFA-5β-cholan-24-oic acid triolide (5) (TFA = trifluoroacetoxy) have been studied by 1H NMR. The best computer-assisted data fitting on the 1H-NMR chemical shift data was given by a 1:2 (guest/host) association model. The association constants vary in the range 170–990 M−1, 7-oxo-substituted triolide 2 and 12α-TFA triolide 5 showing the …
Zinc Binding Sites Conserved in Short Neuropeptides Containing a Diphenylalanine Motif
2019
A diphenylalanine motif in peptides plays a crucial role in supramolecular systems. The current work represents a novel strategy in which a diphenylalanine motif in the central domain of neuropeptides conserves the specific Zn2+ binding site and prevents "hopping" of the Zn2+ ion between alternative metal binding sites. Alternative metal binding sites may also include carboxylic atoms in the terminal domains of a peptide. Therefore, one needs to design a peptide in which the metal will not bind the carboxylic groups in the terminal domains. Herein, we propose that engineering and designing peptides with a diphenylalanine motif in the central domain may yield excellent metal chelators.
Pyrene derived functionalized low molecular weight organic gelators and gels
2008
Pyrene derived binary functionalized low molecular weight organic gelators (FLMOGs) and gels thereof in selected organic solvents were synthesized and characterized. The functionality refers to a functional group that does not take part in formation of the supramolecular gel network, but remains free and available for other purposes, such as to bind nanoparticles or other molecules into the gel structure. Functional groups were observed to disturb gel formation strongly, if they interact with each other within the same supramolecule due to the formation of competitive structures. Preventing such interactions restored the original gel properties. A gel with weaker supramolecular bonding than…
Hybrid assemblies based on a gadolinium-containing polyoxometalate and a cationic polymer with spermine side chains for enhanced MRI contrast agents.
2013
Supramolecular assembly: Spherical and stable hybrid assemblies based on a cationic polymer with spermine side chains and an anionic Gd(3+)-containing polyoxometalate cluster (GdW) are prepared by electrostatic interaction. The T1-weighted MRI performance of GdW is enhanced about three times in the assemblies; meanwhile, the assemblies show good biocompatibility, which enables them to be promising candidates for MRI contrast agents.