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14th Aug 2011
Chemistry By Design
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Are designer molecules poised to take us into a new chemical dimension? This week, we explore how, long before the bunsen burner gets lit, computer aided chemistry can enable us to create in silico imaginary new molecules, reactions and designer catalysts. We also delve into how chemicals are manufactured on a massive scale with a visit to a plant making zeolites. And in the news, how hydrogen-metabolising bugs can supercharge deep-sea mussels, how reprogrammed immune system cells can hunt-down cancer, and nature's stock exchange - how plants and fungi develop a subsoil free-market economy to trade resources.
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News
Hydrothermal vent mussels have been found to host hydrogen-powered bacteria in their gills.
For the first time, scientists have used genetic engineering to reprogramme immune cells to successfully eliminate tumour cells in one form of human blood cancer.
It's not just humans that create market economies, exchanging one set of goods for another, plants and fungi also barter nutrients with deals kept in check by market forces, new research has revealed.
Questions

How are newly created molecules tested in terms of safety?
Graeme - I guess this depends on what we’re going to make the molecule for. We do a lot of our work on pharmaceutical molecules. Obviously, those go through quite a lot of very strict clinical testing to make sure they're safe for people. Other molecules could be dangerous in other ways, like exploding, so chemical stability...
Chris - There is this whole question about nanohazard, isn't there? Are people worried particularly and what they're doing to make sure that when we generate tiny things like carbon nanotubes and thing they are not going to be the next asbestos.
Graeme - I guess that's true so you'd need again, if this is going to be something which people are going to be around then they need to be biologically tested to make sure they don't interact in nasty ways with people.

Can the properties of a virtual molecule be predicted?
Graeme - There are some quite sophisticated computational methods based largely on quantum chemistry, which we can use to determine the properties of a molecule. Now the accuracy of this depends a lot on what property we’re trying to predict. Some are easy, some are very, very difficult, and people are having to work very hard to get the methods up to a good enough accuracy to try to predict. So, we know obviously we can predict the shape or the size of a molecule. We could then from that predict say, the density of a structure, or even the colour is reasonably easy to predict. Other things, maybe, I don't know, the solubility of the material, relates both to molecular structure and to the crystal structure, and that's notoriously difficult to predict. So it really depends on the property you're interested in, whether we can predict it or not, but we’re trying to make the methods as widely applicable as we can so that we can predict and design lots of different types of neat and interesting properties.

Do scientists get scared of destroying the world?
Graeme - Well, most of my work is actually on a computer, so that's fairly safe, so unless the computer is going to blow up itself, then we’re okay. Other scientists? I guess it depends. Chemists, I don't think there's a big risk that we’re going to blow up the world.
Helen - I think us Marine Biologists are fairly safe as well, but it’s always something worth bearing in mind, I think, destroying the world accidentally through science – no, no, no.
QotW
Will a bubbly bath stay warmer for longer? What else can I do to keep my bath at the perfect temperature?
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Interviews
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A new global initiative called the Earth Microbiome Project plans to build up a genetic picture of the billions of bacteria that inhabit every corner of the Earth and to find out how they fit into Earth’s ecosystems. Planet Earth Podcast reporter Tim Hirsch has been talking to some of the scientist...
One of the most important chemical players in nature is the protein. The structure of a protein gives it specific chemical and mechanical properties. Predicting the structures of proteins could allow us to design brand new proteins and enzyems, to help catalyse a range of reactions. One man makin...
In order to design useful new compounds, we need to know exactly what structure any new chemical will take. Computer models, combined with more traditional crystallography, are leading the way in predicting how any given molecule will arrange itself...
How do manufacturers make chemicals on seriously large industrial scales? We sent Meera Senthilingam and Dave Ansell to find out…
Associated Podcasts
 
David Compton from Industrial Chemicals Ltd explains the conditions, materials and equipment needed to make tonnes of a chemical for use in industry, on a daily basis with a focus on the washing powder component 'Zeolite'...
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