dft calculations were used to investigate adsorptionof  f-, cl-, li+ and na+ ions on the exterior surface of mg12o12 nanocage in the gas phase and water media. the most favorite position for adsorption of the studied anions and cations are atop of mg and o atoms of mg12o12, respectively. the strongest interaction is obtained when fluoride is located atop of mg atom with the adsorption energy of...

A novel nanocage structure derived from carboxymethyl-cyclodextrins (CMCDs) intercalated in layered double hydroxides (LDHs), whose gates can be controlled by the process of swelling/drying the CMCD-LDH, has been prepared. Furthermore, the extent of opening of this nanocage structure can be controlled by swelling in different solvents. Dodecylbenzene (DDB) as the guest molecule has been incorpo...

A novel coordination nanocage was obtained with in situ-generated tetrazole ligands from the cobalt-thiacalix[4]arene system. Four in situ-generated 1,3-bis(2H-tetrazol-5-yl)benzene ligands bolster eight Co4-calix shuttle-cock-like secondary building units (SBUs) into a hollow tetragonal prism with a high surface area. The unprecedented {Co32} nanocage presents the highest nuclearity example.

We have demonstrated significant evidence of a solvent-dependent synthesis of hierarchical Cu7S4 polycrystalline nanocage assemblies with controllable aggregation-based building blocks by a sacrificial Cu2O template approach. The formation of a hierarchical Cu7S4 polycrystalline nanocage is essentially determined by a Kirkendall effect, which is attributed to the tailored-aggregation behaviour ...

An unprecedented octahedral {Cd(30)} nanocage supported by twelve pendant-armed tetraacetate macrocyclic ligands was synthesized through the reaction of macrocyclic tetraethyl ester and Cd(OAc)(2)·2H(2)O in a 1 : 2 stoichiometry, where the surface photovoltage and photoluminescent properties have been studied for the nanocage.

The solid catalyst with high catalytic activity and enantioselectivity in the hydrolytic kinetic resolution (HKR) of epoxides was prepared by confining Co(Salen) in the nanocage of SBA-16 through reducing the pore entrance size using a silylation method. It was found that the activity of the solid catalysts increased with the number of [Co(Salen)] molecules per nanocage increasing, and the soli...

A simple approach by reversible imine condensation to shape-persistent endo-functionalised nanocage compounds is presented.

Second harmonic generation (SHG) imaging using near infrared laser light is the key to improving penetration depths, leading to biological understanding. Unfortunately, currently SHG imaging techniques have limited capability due to the poor signal-to-noise ratio, resulting from the low SHG efficiency of available dyes. Targeted tumor imaging over nontargeted tissues is also a challenge that ne...

By coupling laser capture microdissection to nanoCAGE technology and next-generation sequencing we have identified the genome-wide collection of active promoters in the mouse Main Olfactory Epithelium (MOE). Transcription start sites (TSSs) for the large majority of Olfactory Receptors (ORs) have been previously mapped increasing our understanding of their promoter architecture. Here we show th...

Present study offers great prospects for the adsorption of anti-inflammatory celecoxib molecule (CXB) over surface zinc oxide (Zn12O12) and magnesium (Mg12O12) nanoclusters in several environments by performing robust theoretical calculations. Density functional theory (DFT), time-dependent density (TDDFT) molecular docking calculations have been extensively carried out to predict foremost opti...