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February 2001

From David Bradley Science Writer and
Advanced Chemistry Development

? Reactive Science News sciencebase science newsfeed

Nanoswitch??The electronics industry strives in perpetuity for smaller, faster and more efficient devices. Conventional lithographic fabrication techniques for microelectronics, however, can shrink components to 100 nanometres or so but nanotechnology hopes to take that down an order of magnitude.

Nothing to sniff at??US scientists have come up with a way to uncover the origin of illicit cocaine using the isotopic fingerprint of the carbon and nitrogen atoms in the cocaine molecules. "Cocaine is the most widely used narcotic drug," says James Ehleringer of the University of Utah in Salt Lake City.

Magnetic susceptibility? An ultra-highfield wide-bore NMR machine is now being prototyped at Leiden University. The machine will let scientists look closely at membrane proteins at resolutions higher than ever possible before.

Cleaner diesel? While the UK government faces continuing criticism over the price of vehicle fuels [tax is some 75% of a gallon of fuel (petrol) costing the equivalent of US$5.70 at the time of writing, according to statistics from the UK's Automobile Association, Americans are paying about US$1.25 for their gallon].

Chemical versus technological? A link between the sharp fall in teenage smoking since 1996 and the advent of the mobile phone has been suggested by researchers in the British Medical Journal.


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Antony Williams and Vitaly Lashin (ACD/Labs), Michael P. Balogh and Kate Yu (Waters Corporation): Applications of Structure-Based MS Spectrometry Analysis and Data Management to the Identification of Isoflavonoids from Trifolium pratense (Red Clover)


Commercial databases of MS spectra, such as the NIST and Wiley libraries, associate chemical structures and spectra. These databases have focused primarily on EI data and have not been structure and substructure searchable until recently. The data of primary interest to spectrometrists is often that obtained in their own laboratory and the construction of in-house structure searchable MS libraries has not been available. We present here the development and capability of both assignment, auto-assignment and data management tools which are now available on the PC desktop, thereby addressing one of the core needs for the MS laboratory. These tools will be applied to example datasets from the analysis of isoflavonoids separated from red clover species. Continue...

Antony Williams and Vitaly Lashin (ACD/Labs), Mike S.Lee (Milestone Development Services): Applying a Desktop MS Software Toolkit to Drug Metabolism Problems

Robert S. DeWitte (ACD/Labs): The inner workings of ACD/PhysChem user training

? Among the features in our PhysChem prediction software user training transforms an otherwise static prediction engine into a living expert system, custom tailored to the kinds of chemistry you are doing most commonly in your research environment. It's our way of extending our expertise into your domain. User training is a subtle thing though, and this note has been compiled in order to help you use it. Continue...

Robert S. DeWitte (ACD/Labs): On Conducting a Fair Trial

? Conducting a fair trial is not as easy as it might seem. There are some simple pitfalls that we'd like to help you avoid, and there are some caveats about interpreting the outcomes of trials that we want to help you with. That's why we have produced the following guidelines. Continue...

Snapshots of Celebrity Molecules

? If you are working on a fascinating formulation or a marvellous material, or perhaps you think your compound is simply cool, then tell us about it and visit our Gallery of Celebrity Molecules.

ACD/Labs Scholar of the Year 2000 Award

? The contest has now been expanded to graduate and undergraduate levels. Click here for details about the 2000 ACD/Labs Scholar of the Year Award. See 1999 ACD/Labs Scholar of the Year Award winners.