We present a multiscale computational approach for the first-principles study of bio-nano interactions. Using titanium dioxide as case study, we evaluate affinity titania nanoparticles to water and biomolecules through atomistic coarse-grained techniques.

Titanium is a successful biomaterial that possesses good biocompatibility. It is covered by a surface layer of titanium dioxide, and this oxide may play a critical role in inhibiting reactive oxygen species, such as peroxynitrite, produced during the inflammatory response. In the present study, titanium dioxide was coated onto silicone substrates by radio-frequency sputtering. Silicone coating ...

Titanium dioxide (TiO2)nanoparticles have been frequently employed in the environmental treatment and purification purposes as a cheap and highly efficient photocatalyst. A photocatalyst can facilitate the breakdown and removal of a variety of environmental pollutants at room temperature. TiO2 photocatalyst is the best candidatebecause of its strong oxidized ability, non-toxicity and longtherma...

An electric field is employed for the active tuning of the structural colour in photonic crystals, which acts as an effective external stimulus with an impact on light transmission manipulation. In this work, we demonstrate structural colour in a photonic crystal device comprised of alternating layers of silver nanoparticles and titanium dioxide nanoparticles, exhibiting spectral shifts of arou...

This research was to prepare the titanium dioxide nanotube arrays (TiNT arrays) and deposit the Au nanoparticles on its surface using the pulse electrodeposition technique. The Au nanoparticles-TiNT arrays (AuNP-TiNT arrays) were characterized by field emission scanning electron microscopy (FESEM), X-ray diffraction, and cyclic voltammetry. The results showed that the Au nanoparticles were unif...

In order to investigate the pulmonary toxicity of titanium dioxide (TiO2) nanoparticles, we performed an intratracheal instillation study with rats of well-dispersed TiO2 nanoparticles and examined the pulmonary inflammation and histopathological changes in the lung. Wistar Hannover rats were intratracheally administered 0.2 mg (0.66 mg/kg) and 1.0 mg (3.3 mg/kg) of well-dispersed TiO2 nanopart...

To make predictions about the possible effects of nanomaterials across environments and taxa, toxicity testing must incorporate not only a variety of organisms and endpoints, but also an understanding of the mechanisms that underlie nanoparticle toxicity. Here, we report the results of a laboratory experiment in which we examined how titanium dioxide nanoparticles impact the population dynamics...

Strong adsorption of pollutants on activated carbon may inhibit their diffusion to the catalyst on the surface of the adsorbent and hence reduce he whole photocatalytic process. Oxidation of the carbon surface will change the adsorption properties of the carbon; and increase the capability of arbon surface to carry more titanium dioxide. In this work, activated carbon was oxidized with differen...

Pigment grade titanium dioxide is composed of sub-micron sized particles, including a nanofraction, and is widely utilized in food, cosmetic, pharmaceutical, and biomedical industries. Oral exposure to pigment grade titanium dioxide results in at least some material entering the circulation in humans, although subsequent interactions with blood immune cells are unknown. Pigment grade titanium d...