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12 May 2020 | Story Andre Damons | Photo Pexels

A data scientist and research coordinator at the University of the Free State (UFS), in collaboration with his supervisor at the University of Pretoria (UP), is at the forefront of the fight against the Covid-19 virus with accurate data and analysis.
Herkulaas Combrink of the Centre for Teaching and Learning at the UFS and PhD candidate in Computer Science at the UP, said accurate data is important to prevent widespread panic and sensationalism during a global disaster such as the current pandemic. This information helps people to make informed decisions and to reduce their exposure to the threat of the virus.

Assisting decision-makers

“I, along with colleagues from the World Health Organization, the Centers for Disease Control and Prevention in the USA, the provincial office of the Centers for Disease Control and Prevention, provincial clinicians, and the Free State Department of Health led by Dr David Motau, have been able to progress significantly in terms of evidence-based tools to assist provincial and national decision-makers during these turbulent times.”
“It does come at a cost, though, in that we have worked continuously since the lockdown, dedicating all our time and efforts to the department from all over to ensure that we are not part of some of the global statistics we have seen,” said Combrink. 

A paper written together with his supervisor, Dr Vukosi Marivate, has also been accepted by the Department of Higher Education and Training (DHET)-accredited Data Science Journal.  This paper is related to a framework for sharing public data to the public in a way that is useful, usable, and understandable. 

Ongoing projects

Combrink said it is hard to name all those who are/were involved in the great work done by the Free State Department of Health, but some of them include Dr Elizabeth Reji (Head of Department, Family Medicine), Dr Collin Noel (surgeon, senior lecturer at the UFS), Dr Sammy Mokoena (community health registrar, UFS), Dr Ming-Han Motloung (public health medicine specialist, senior lecturer, UFS), Dr Perpetual Chikobvu (Director: Information Management at the Department of Health, affiliated lecturer at the UFS), as well as Alfred Deacon (lecturer at the UFS), who have worked at some point during this short space of time on one of the many projects. 

Some of the projects include the following:

• A provincial database for screening and monitoring.
• A data pipeline and assembly of hospital information flow, liaised with the NICD, Vodacom, and the different district managers to ensure that the pipeline occurs in a timely manner.
• Digitised paper-based capturing tools for rapid data capturing and processing.
• Incorporated state-of-the-art visualisation tools to action data into useful information for decision-makers in certain areas.
• Provided both provincial and national projections, stress testing different scenarios using a variety of statistical, computational, and/or machine-learning approaches to add to the already existing projections of the Council for Scientific and Industrial Research (CSIR).
• Training healthcare professionals in the field to apply these tools within their own districts.
No easy task

“These aforementioned feats were by no means easy and are not completed yet, but we are getting there. In the foreseeable future, I will be working closely with national and international researchers to deploy a tool for hospital managers in the Free State that will assist them when we move from level 5 to any level below.”

“In addition to this, I am constantly providing support to the Free State Department of Health regarding any analysis required for decision-making purposes. The teams we work in comprise highly competent individuals with a passion for solving problems from multidisciplinary perspectives,” according to Combrink.

News Archive

New world-class Chemistry facilities at UFS
2011-11-22

 

A world-class research centre was introduced 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 South African Research Foundation (NRF), which each contributed more than R20 million for different facets and projects.
The senior management of Sasol, NECSA (The South African Nuclear Energy Corporation), 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 includes 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, and many more.

“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 twenty 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 corners 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 phase switchover 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 apparatus 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. Computing 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 intermediary products cannot be characterised and computing 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 gases (100 times bigger) and in fluids (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.
  • Reaction speed equipment (Kinetics: R5 million; some of the most advanced equipment in the world). The tempo and reactions can be studied in the ultraviolet, visible and infrared area at millisecond level; if combined with the NMR, up to a microsecond level (one millionth of a second.

Typical reactions are, for example, the human respiratory system, the absorption of agents in the brain, decomposition of nanomaterials and protein, acid and basis polymerisation reactions (shaping of water-bottle plastic) and many more.

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