Impact of mechanical deformation on guest diffusion in zeolitic imidazolate frameworks.

The effect of the mechanical deformation of metal-organic frameworks on guest diffusion was investigated by employing molecular dynamics simulations. Two basic deformation modes, uniaxial tensile and shear deformation, were considered. The computed shear modulus of the zeolitic imidazolate framework-8 (ZIF-8) model system was much lower than the Young's modulus, which is in agreement with the experimental results.

Quantitation of the hydroxycinnamic acid derivatives and the glycosides of flavonols and flavones by UV absorbance after identification by LC-MS.

A general approach was developed to quantify hydroxycinnamic acid derivatives and the glycosides of flavonols and flavones using UV molar relative response factors (MRRFs). More than 90 standards were analyzed by LC-MS and divided into five groups based on the λ(max) of their band I absorbance profiles. For each group, a commercially available standard was chosen as the group reference standard.