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Easier way to predict how chemical compounds will interact

Date:
April 25, 2018
Source:
University of Kent
Summary:
New research has revealed that simple, commercially available computer programmes could be used to design next generation drug-delivery systems by predicting more easily how different chemical compounds interact.
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New research has revealed that simple, commercially available computer programmes could be used to design next generation drug-delivery systems by predicting more easily how different chemical compounds interact.

Led by Dr Jennifer Hiscock of the University of Kent, a team of researchers has identified a new more cost-effective way of predicting how compounds known as amphiphiles will interact with each other to impart specific physical properties to a solution.

The study, entitled Towards the prediction of global solution state properties for hydrogen bonded, self-associating amphiphiles, has revealed for the first time the potential for simple, easily accessible new methods of predicting on a computer how the compounds will behave.

The research involved the team using computer modelling to exhibit desired, pre-programmed properties before the chemical compounds even exist in real life.

The research is likely speed up the development -- and decrease costs -- associated with developing new methods of delivering drugs and medical-grade soaps and gels.


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Materials provided by University of Kent. Note: Content may be edited for style and length.


Journal Reference:

  1. Lisa White, Stilyana Tyuleva, Ben Wilson, Helena Shepherd, Kendrick Ng, Simon Holder, Ewan Clark, Jennifer Hiscock. Towards the prediction of global solution state properties for hydrogen bonded, self-associating amphiphiles. Chemistry - A European Journal, 2018; DOI: 10.1002/chem.201801280

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University of Kent. "Easier way to predict how chemical compounds will interact." ScienceDaily. ScienceDaily, 25 April 2018. <www.sciencedaily.com/releases/2018/04/180425120146.htm>.
University of Kent. (2018, April 25). Easier way to predict how chemical compounds will interact. ScienceDaily. Retrieved December 10, 2024 from www.sciencedaily.com/releases/2018/04/180425120146.htm
University of Kent. "Easier way to predict how chemical compounds will interact." ScienceDaily. www.sciencedaily.com/releases/2018/04/180425120146.htm (accessed December 10, 2024).

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