Chiral molecules possess enantiomers that have non-superimposable chemical structures but exhibit identical nuclear magnetic resonance (NMR) spectra. This feature prevents the use of NMR spectroscopic methods for determination enantiomeric excesses (ee) chiral molecules, using simple mixtures their enantiomers. Recently, however, it was reported addition a symmetrical prochiral molecule (a repo...

In the title host-guest compound, C(38)H(26)O(2)·C(4)H(8)O(2), the ethyl acetate mol-ecule (guest), which adopts a fully extended conformation, and the biphenyl derivative (host) are connected via O-H⋯O hydrogen bonds [H⋯O = 1.90 (3) Å] into discrete assemblies. The hydro-carbon skeleton of the host mol-ecule deviates only slightly from C(2) symmetry. The OH groups of the host are involved in i...

By selection of different charge-balancing anionic frameworks and different host-to-guest ratios, the photosensitizer-dye cation [Cu(dmp)2]+ (dmp = 2,9-dimethyl-1,10-phenanthroline) has been embedded in a series of three-dimensional host structures. It occurs with variable geometry in different states of aggregation, including weakly interacting monomers, isolated dimers, columns, and layers. A...

The employment of cyclodextrin host-guest complexation to construct supramolecular assemblies with an emphasis on polymer networks is reviewed. The main driving force for this supramolecular assembly is host-guest complexation between cyclodextrin hosts and guest groups either of which may be discrete molecular species or substituents on a polymer backbone. The effects of such complexation on p...

Deletion of structural elements in cavitand receptors is used to evaluate the thermodynamic and kinetic parameters of binding in these hosts. The use of a bulky guest showcases the importance of host-guest shape adaptations in the molecular recognition process.

For the first time, host-induced intramolecular charge-transfer complex formation in a guest containing both an electron donor and an electron acceptor is demonstrated in the cucurbit[8]uril cavity, leading to unusual back-folding of the guest molecule.

Hardware virtualization in the x86 architecture has enabled the use of virtual machine monitors in Beowulf clusters. In turn, each application user can then run a virtual guest operating system of his/her choice. Of course virtualizing and sharing the hardware resources in a Beowulf cluster will add additional overheads that may negatively effect performance of the application. However, the use...

Clathrate hydrates are typically stabilized by suitably sized hydrophobic guest molecules. However, it has been experimentally reported that isomers of amyl-alcohol C5H11OH can be enclosed into the 5(12)6(4) cages in structure II (sII) clathrate hydrates, even though the effective radii of the molecules are larger than the van der Waals radii of the cages. To reveal the mechanism of the anomalo...

Abstract Host–guest materials exhibit great potential applications as an insensitive high-energy–density explosive and low characteristic signal solid propellant. To investigate the mechanism of improvement energy host–guest explosives by guest molecules, ReaxFF-lg reactive molecular dynamics simulations were performed to calculate thermal decomposition reactions systems ICM-102/HNO 3 , ICM-102...