The application of the MD–GIPAW approach to the calculation of NMR parameters, line widths
and shapes of the spectra of oxide glasses is reviewed. Emphasis is given to the decisive …

An integrated computational method that couples classical molecular dynamics simulations
with density functional theory calculations has been used to simulate the solid-state 17 O …

Blue copper proteins are type-I copper-containing redox proteins whose role is to shuttle
electrons from an electron donor to an electron acceptor in bacteria and plants. A large amount …

The ability of Ce-containing bioactive glasses to inhibit oxidative stress in terms of reduction
of hydrogen peroxide, by mimicking the catalase enzyme activity is demonstrated here for …

Glasses belonging to the Na 2 O-CaO-P 2 O 5 −SiO 2 system and modified by CaF 2 substitution
for CaO and Na 2 O alternatively, were synthesized and characterized experimentally …

The bacterium strain Ideonella sakaiensis 201‐F6 is able to hydrolyze low‐crystallinity PET
films at 30 C due to two enzymes named PETase and MHETase. Since its discovery, many …

Strategies for protein detection via surface-enhanced Raman spectroscopy (SERS) currently
exploit the formation of randomly generated hot spots at the interfaces of metal colloidal …

This work reports the results of coarse-grained molecular dynamics simulations of citrate-coated
gold nanoparticles (AuNPs) in interaction with insulin and fibrinogen, two of the most …

Fluoride-containing bioactive glasses are attracting particular interest in many fields of
dentistry and orthopedics because they combine the bone-bonding ability of bioactive glasses …

In this work, the glass transition temperature and chemical durability of bioactive phospho-silicate
glasses were experimentally determined and correlated to the structural descriptor F …