Special feature: December 2011

World class Chemistry at the UFS

A historical photo of four pioneers involved in the upgrading of the Chemistry Facility on the UFS Campus, from left, Dr. Chris Reinecke (Sasol), proff. Jannie Swarts (Department Chemistry), Frederick Fourie, (former Rector of the UFS), and Andreas Roodt (Head of the Department Chemistry).

A world class research centre was inaugurated on Friday 18 November 2011 when the new Chemistry building on the Bloemfontein Campus of the University of the Free State (UFS) was officially opened.

The upgrading of the building, which has taken place over a period of five years, is the UFS's largest single financial investment in a long time.

The building itself has been renovated at a cost of R60 million and, together with the new equipment acquired, the total investment exceeds R110 million. The university has provided the major part of this, with valuable contributions from Sasol and the National Research Foundation (NRF), which each contributed more than R20 million for different facets and projects.

The senior management of Sasol, NECSA (Nuclear Energy Corporation of SA), PETLabs Pharmaceuticals, and visitors from Sweden attended the opening.

Prof. Andreas Roodt, Head of the Department of Chemistry, states the department's specialist research areas include X-ray crystallography, electrochemistry, synthesis of new molecules, the development of new methods to determine rare elements, water purification, as well as the measurement of energy and temperatures responsible for phase changes in molecules, the development of agents to detect cancer and other defects in the body, etc.

Roodt says: “We have top expertise in various fields, with some of the best equipment and currently competing with the best laboratories in the world. We have collaborative agreements with more than 20 national and international chemistry research groups of note.

“Currently we are providing inputs about technical aspects of the acid mine water in Johannesburg and vicinity, as well as the fracking in the Karoo in order to release shale gas.”

New equipment installed during the upgrading action comprises:

• X-ray diffractometers (R5 million) for crystal research. Crystals with unknown compounds are researched on an X-ray diffractometer, which determines the distances in angstroms (1 angstrom is a ten-billionth of a metre) and angles between atoms, as well as the arrangement of the atoms in the crystal and the precise composition of the molecules in the crystal.
• Differential scanning calorimeter (DSC) for thermographic analyses (R4 million). Heat transfer and the accompanying changes, as in volcanoes, and catalytic reactions for new motor petrol are researched. Temperature changes, coupled with the phased switch over of fluid crystals (liquid crystals, watches, TV screens) of solid matter to fluids, are measured.
• Nuclear-magnetic resonance (NMR: Bruker 600 MHz; R12 million, one of the most advanced systems in Africa). A NMR spectrometer is closely linked with the apparatus for magnetic resonance imaging, which is commonly used in hospitals. NMR is also used to determine the structure of unknown compounds, as well as the purity of the sample. Important structural characteristics of molecules can also be identified, which is extremely important if this molecule is to be used as medication, as well as to predict any possible side effects of it.
• High-performance Computing Centre (HPC, R5 million). The UFS' HPC consists of approximately 900 computer cores (equal to 900 ordinary personal computers) encapsulated in one compact system handling calculations at a billion datapoint level. It is used to calculate the geometry and spatial arrangements, energy and characteristics of molecules. The bigger the molecule that is worked with, the more powerful the computers must be doing the calculations. Computational chemistry is particularly useful to calculate molecular characteristics in the absence of X-ray crystallographic or other structural information. Some reactions are so quick that the intermediate products cannot be characterised and computational chemistry is of invaluable value in that case.
• Catalytic and high-pressure equipment (R6 million; some of the most advanced equipment in the world). The pressures reached (in comparison with those in car tyres) are in gasses (100 times bigger) and in liquids (1 500 times) in order to study very special reactions. The research is undertaken, some of which are in collaboration with Sasol, to develop new petrol and petrol additives and add value to local chemicals. Typical reactions are, for example, the human respiratory system, the absorption of agents in the brain, decomposition of nanomaterials and protein, acid and base polymerisation reactions (shaping of water-bottle plastic) and many more.

The developmental impact of this world class Chemistry Facility is threefold: Firstly, it enables the offering of training to local and South African students on top international standard; secondly, it provides the facilities to conduct ground-breaking research; and, thirdly, it offers vast opportunities for synergy with the private as well as public sectors, both in terms of what is offered and how special requests can be dealt with.

As such the new Chemistry Facility constitutes a tremendous asset not only for the Free State and South Africa, but also for international collaboration.