Lateral diffusion of membrane components (lipids and proteins) is an important membrane property to measure since the essential process of absorption of anti-cancer and other drugs -some of which are not soluble in lipids and therefore would not be able to penetrate the cell mem…
The objective through my PhD has been to investigate radiation damage effects in materials related to fusion and to safe encapsulation of nuclear waste, using Molecular Dynamics (MD) methods. Particularly, using MD, we acquire essential information about the multi-scale phenomen…
Inert gases in metals can occur due to ion implantation, from a plasma in a magnetron device or as a result of being by-products of nuclear reactions. Mainly because of the nuclear applications, the properties of the inert gases, helium, argon and xenon in the body centred cubic…
The evolution of materials at an atomistic level may have vital consequences for the properties of materials. Therefore, modelling long time scale behaviour of defects in a material is very important, particularly for those used in nuclear power plants. The materials used in nuc…
A major challenge affecting the likelihood of a new drug reaching the market is poor oral bioavailability derived from low aqueous solubility. Nanocrystals are rapidly becoming a platform technology to address poor solubility issues, although several challenges including stabili…
The existence of a thermotropic biaxial nematic liquid crystal phase has been a topic of great interest for almost half a century. Of the various mesogenic shapes suggested as being able to form this phase, theory has suggested that the V-shaped or "bent-core" molecule is one of…
Noncovalent interactions are of great importance in studies on crystal design and drug discovery. One such noncovalent interaction, halogen bonding, is present between a covalently bound halogen atom and a Lewis base. A halogen bond is a directional interaction caused by the ani…
Accumulation and aggregation of the 42-residue amyloid-[beta] (A[beta]) protein fragment, which originates from the cleavage of amyloid precursor protein by beta and gamma secretase, correlates with the pathology of Alzheimer's disease (AD). Possible therapies for AD include pep…
Visualizing chemistry: the progress and promise of advanced chemical ima…
by National Research Council (U.S.)., Committee on Revealing Chemistry through Advanced Chemical Imaging, National Research Council (U.S.)., Board on Chemical Sciences and Technology, National Research Council (U.S.)., Division on Earth and Life Studies