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Reactive Science News |
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Grape expectations Another antioxidant found in grapes could be used to fight cancer and combat diabetes, according to US scientists. |
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Smog watch An inexpensive and portable device could help you monitor the air quality in your neighborhood or be used by environmental researchers checking pollutants leaking into groundwater from waste sites. |
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Hanging on the nanowires Tiny spirals of the semiconductor cadmium sulfide could form the basis of new nanodevices, according to US researchers. |
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Strip! Children and scientists alike are fascinated by the Möbius strip. The mysterious three-dimensional structure is formed physically and mathematically when a ribbon is twisted through 180 degrees and its two ends joined together.
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Mikhail E. Elyashberg, Kirill A. Blinov, Antony J. Williams, Sergey G. Molodtsov and Eduard R. Martirosian: Application of a New Expert System for the Structure Elucidation of Natural Products from the 1D and 2D NMR Data (PDF, 170 Kb)
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Application of the latest version of the StrucEluc expert software system, enhanced to use 2D NMR data, to the structure elucidation of 60 recently isolated natural products, is described. The strategy of structure elucidation by this expert system is presented, and several examples are discussed. Continue...
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Daria Jouravleva, Robert DeWitte, Ed Kolovanov: Accurate Prediction of Aqueous Solubility (PDF, 682 Kb)
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In this paper we describe the algorithm used at ACD/Labs to produce a global method for the accurate prediction of aqueous solubility. Furthermore, we apply this software to a number of chemical datasets with experimentally available solubility data to validate this computational tool.
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