Predicting the impact of structural diversity on the performance of nanodiamond drug carriers

Diamond nanoparticles (nanodiamonds) are unique among carbon nanomaterials, and are quickly establishing a niché in the biomedical application domain. Nanodiamonds are non-toxic, amenable to economically viable mass production, and can be interfaced with a variety of functional moieties. However, developmental challenges arise due to the chemical complexity and structural diversity inherent in nanodiamond samples. Nanodiamonds present a narrow, but significant, distribution of sizes, a dizzying array of possible shapes, and a complicated surface containing aliphatic and aromatic carbon. In the past these facts have been cast as hindrances, stalling development until perfectly monodispersed samples could be achieved. Current research has moved in a different direction, exploring ways that the polydispersivity of nanodiamond samples can be used as a new degree of engineering freedom, and understanding the impact our limited synthetic control really has upon structure/property relationships. In this review a series of computational and statistical studies will be summarised and reviewed, to characterise the relationship between chemical complexity, structural diversity and the reactive performance of nanodiamond drug carriers.