Density functional theory (DFT) calculations with dispersion corrections elucidated the key factors for determining the arrangement of π-conjugated oligomers inside a carbon nanotube. The current study considered methyl-terminated terfurans as guests inside a host tube; the results were compared with those obtained in previous studies for methyl-terminated terthiophenes inside a nanotube. DFT c...

A water-soluble, anionic pillar[6]arene derivative (WP6) is applied as monomeric building block for the layer-by-layer self-assembly of thin polyelectrolyte multilayer films, and its pH-dependent host–guest properties are employed for the reversible binding and release of a methylviologen guest molecule. The alternating assembly of anionic WP6 and cationic diazo resin (DAR) is monitored in-situ...

In this communication, the charge transfer phenomenon from ionic host lattice to nonionic guest molecule was observed by magnetization and Raman spectroscopy measurements for nonionic and ionic clathrate hydrates. The present findings on the magnetic property of nonionic guest molecules in ionic hydrate might provide important information on the unrevealed nature of host-guest interaction in io...

A new way to analyze supramolecular dendritic architectures is reported by making use of (13)C NMR and (31)P NMR. Two ethylene glycol guest molecules have been synthesized containing a (13)C labeled carboxylic acid headgroup (2) and a phosphonic acid headgroup (3). The binding of these guests to urea-adamantyl modified poly(propylene imine) dendrimers has been investigated with (13)C NMR and (3...

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...

Principal Investigators: Gerd Schön, Alexander Shnirman CFN financed scientists: Juha Leppäkangas (18 months), Jasmin Aghassi (3 months, PhD July 2007), Stefan Legel (3 months 0,75, PhD January 2008), Michael Marthaler (17 months 0,75, PhD June 2009), Anna Posazhennikova (18 months), Yasuhiro Utsumi (guest scientist + guest professor 5 months), Gergely Zarand (Bessel award 1 year + guest profes...

Dynamic exchange of guest molecules, encapsulated in host assemblies, is a phenomenon in supramolecular chemistry that has important implications in several applications. While the mechanism of exchange in micellar assemblies has been previously investigated, the effect of host and guest environment upon the guest-exchange dynamics has received little attention, if any. In this paper, we study ...

The effect of macrocycle size on the structure-property relationships was studied for inclusion compounds of tert-butylcalix[n]arenes (n=4,5) with volatile organic guests having various molecular size and group composition. Vapor-sorption isotherms, guest-inclusion stoichiometry and Gibbs energy, thermostability parameters and decomposition enthalpies were determined for host-guest compounds (c...

The ants are extraordinary in having evolved many lineages that exploit closely related ant societies as social parasites, but social parasitism by distantly related ants is rare. Here we document the interaction dynamics among a Sericomyrmex fungus-growing ant host, a permanently associated parasitic guest ant of the genus Megalomyrmex, and a raiding agro-predator of the genus Gnamptogenys. We...

The super-saturation condition has to be provided to form gas hydrates. Consequently, the prediction of the guest molecule fraction in the aqueous phase is crucial in the study of the gas hydrate kinetics. In the present work, several experiments were carried out in a semi-batch reactor in order to determine the mole fraction of methane and ethane during gas hydrates formation (growth stage...