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October 2000

From David Bradley Science Writer and
Advanced Chemistry Development

  Reactive Science News sciencebase science newsfeed

Crude oil to hosiery in one step?  A new class of microporous catalyst can convert raw cyclohexane from the petroleum industry to adipic acid, the starting material for nylon and many other products, in one easy step without the need for the highly polluting oxidation stages.

Fishy attraction  New Zealand biologists have discovered animal magnetism in trout that shows the fish might have a sixth sense like a built in compass for finding their way back to their spawning grounds.

It's enough to make a Chicken Run Bigger eggs and better memory are two of the effects on chickens of a whiff of 2 - methoxy - 3 - isobutylpyrazine, a compound found in human and coyote urine and commonly used as a flavour enhancer with the odour of green bell peppers.
A flash fix for nitrogen A flash of light on a plastic plate turns nitrogen from the air into solid rocket fuel, according to Japanese scientists. The discovery could lead to a new way of making nitrogen-containing compounds.
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Antony Williams (ACD/Labs): Spectroscopy Management and Prediction Tools for the Screening of Combinatorial Library Analytical Data

Both MS and NMR have become common tools for the analytical screening of spectral data from combinatorial libraries. Though MS tools have experienced significant software development for breaking through the data analysis bottleneck, little effort has occurred in NMR above and beyond standard processing. The development of software to allow the databasing of NMR spectral curves associated with molecular structures, and the application of NMR prediction algorithms to allow comparison of experimental and predicted spectra has been attempted. Continue...

Rahim Kaba (ACD/Labs): Splitting Multi-Experiment Files

ACD/Splitter is an application that allows users to "split" a series of multi-experiment data files into separate, single experiment data files. File formats supported are MassLynx - (_functns.inf), OpenLynx (*.rpt), and PE SCIEX ľAPI to Piff (*.piff) files. Split files are designated the ACD *.esp extension, and can be imported into ACD/SpecManager. Continue...

Forming an Applications Database
  In the typical chemical organization, a huge number of chromatographic separations are developed each year. Unfortunately, several different laboratories within the organization may perform these separations on the same sample or the same compound. This often means duplication of effort due to the inability to confer the information about the separation. Attempts have been made to archive successful separations in Applications Databases with the intent to make available the information throughout the organization.

ACD/ChromManager is ideal for use as an Applications DB, due to its substructure search capability, its interface to prediction in ACD/LC Simulator, and its ability to search alternative DBs at the same time. 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
  Click here for details about the 2000 ACD/Labs Scholar of the Year Award. See 1999 ACD/Labs Scholar of the Year Award winners.