Biomedical Engineering Reference
In-Depth Information
Fig. 14. Surface model of the P2.5 bioglass with adsorbed water molecules at both top and
bottom faces. Colour coding: silicon light blue, oxygen red, sodium pink, calcium dark blue,
phosphorous yellow, hydrogen bonds black dotted line.
3. Conclusion
In the present Chapter it has been explained how crucial the computational techniques are
when applied together with experimentalist measurements in the understanding of
biological complex systems and mechanisms dealing with biomaterials for a large number
of reasons. Indeed, computational methods are extremely powerfully applied to predict
structure formation and crystal growth as well as to describe at a molecular level the real
interactions responsible of the attachment of the inorganic biomaterial to the organic tissue.
In the investigation of phenomena related to a complex system such as the human body,
many approximations are required, so a reductionist approach is employed also in the
computational analysis.
In this Chapter, the approach has been explained for two typical biomaterials:
hydroxyapatite and Bioglass® 45S5. In particular, for the first material, the aim was to
describe the study of its (010) non-stoichiometric surfaces in interaction with water and
carbon monoxide. For the latter, the adopted strategy has been analyzed and then a specific
example has been reported, dealing with the spectroscopic characterization of computed
vibrational features with the increasing amount of phosphorous in a sufficiently large unit
cell starting from the well-know 45S5 Bioglass® composition.
The general knowledge gained in recent years through the use of computational techniques
such as those described in this chapter is great, but not enough to fully understand the
peculiar characteristics of the materials that make up the musculo-skeletal system and to
provide appropriate care for important illnesses such as osteoporosis or degenerative and
metabolic diseases, benign and malignant tumors and trauma.
