The separation and purification of peptides and proteins using chromatography can make up more than half the amount of the total purification costs of a biotechnological process [1]. The development of cost-efficient processes still suffers from the lack of understanding on a molecular level of adsorption mechanisms of biomolecules on materials surfaces. To explore the power of computer science...

Polymeric ultra-thin films (nanosheets) possess unique properties that make them suitable materials for various biomedical applications. In our previous study, we assessed the use of an antibiotic (tetracycline, TC)-loaded nanosheet (or "TC-nanosheet") for the treatment of gastrointestinal tissue defects. The nanosheet consisted of three functional layers: layer-by-layer nanosheet as a stable p...

Intracrystalline zeolite silanol defect groups (≡SiOH) were modelled in silicalite (silica ZSM-5, MFI) using experimental data. We make a molecular dynamics study on the self-diffusivity of benzene with defects. The simulations at three different loadings (1, 3 and 5 per unit cell) temperatures (298, 348 398 K) allow to calculate self-diffusivity, adsorption energy activation energy. results sh...

Non-oxidative coupling of methane is a promising route to obtain ethylene directly from natural gas. We synthesized siliceous [Fe]zeolites with MFI and CHA topologies found that they display high selectivity (>90 % for >99 CHA) ethane among gas-phase products. Deactivated can be regenerated by burning coke in air. In situ X-ray absorption spectroscopy demonstrates the isolated Fe3+ centers zeol...