Molecular Dynamics Study of Collective Behavior of Carbon Nanotori in Columnar Phase

Supramolecular interaction of carbon nanotori in a columnar phase is described using the methods of classical molecular dynamics. The collective behavior and dynamic properties of toroidal molecules arising under the action of the van der Waals forces are studied. The conditions under which columnar structures based on molecular tori become unstable and rearrange into another structure are investigated. The reasons for the appearance of two types of directed rotational motion from the chaotic motion of molecules are discussed.

A Supramolecular Heat-Pump: an Electrochemical Cooling System Utilizing the Enthalpy Change of a Host–Guest Interaction

Redox-stimulated host–guest chemistry was applied for the electrochemical Peltier effect, which is a heat transportation phenomenon observed in redox-active electrolytes. The refrigeration capability was enhanced up to 70%. By the addition of alpha-Cyclodextrin (α-CD) into I−/I3− aqueous solution, the amount of heat transported from the cathode side to the anode side was observed. The enhancement of the heat transportation was derived from the elimination heat of I3− from α-CD associated with the shift of host–guest equilibrium caused by the exhausting of I3− by the reduction. This is the first report that utilized the stimuli-responsive supramolecular interaction for heat transportation.

Investigation of Supramolecular Interaction of Quercetin with p-sulfonated Calix[4,8]arenes using Molecular Modeling and their In vitro Cytotoxic Response on Selected Cancer Cells

Though quercetin is an effective bioactive compound preventing the progress of several human cancers, its impact is reduced due to low bioavailability. The therapeutic potential of quercetin can be enhanced...

Pillar[5]arene-Based Ion-Pair Recognition for Constructing a [2]Pseudorotaxane with Supramolecular Interaction Induced LCST Behavior

A LCST-type [2]pseudorotaxane based on perbromoethylated pillar[5]arene/imidazolium iodide ionic liquid ion-pair recognition is constructed in both solution and the solid state. The thermo-responsiveness behavior can be adjusted by the molar...

Valveless flow reversal by a pH responsive supramolecular micropump

Flow reversal in a valveless micropump was achieved via dynamic supramolecular interaction between beta-cyclodextrin (β-CD) and benzimidazole (BzI).