Now showing items 1-10 of 11
Computer-Assisted Approach to Structural Elucidation of Lignans
(TAYLOR & FRANCIS INC, 2008)
This paper reports an expert system (SISTEMAT) developed for structural determination of diverse chemical classes of natural products, including lignans, based mainly on 13C NMR and 1H NMR data of these compounds. The ...
New Improvements in Automatic Structure Elucidation Using the LSD (Logic for Structure Determination) and the SISTEMAT Expert Systems
(NATURAL PRODUCTS INC, 2010)
This article describes the integration of the LSD (Logic for Structure Determination) and SISTEMAT expert systems that were both designed for the computer-assisted structure elucidation of small organic molecules. A first ...
Determination of the Relative Configuration of Terminal and Spiroepoxides by Computational Methods: Advantages of the Inclusion of Unscaled Data
(American Chemical Society, 2017-02)
The assignment of the relative configuration of spiroepoxides or related quaternary carbon-containing oxiranes can be troublesome and difficult to achieve. The use of GIAO NMR shift calculations can provide helpful assistance ...
A joint theoretical and kinetic investigation on the fragmentation of (N-halo)-2-amino cycloalkanecarboxylates
A combined theoretical and experimental study to elucidate the molecular mechanism for the Grob fragmentation of different (N-halo)-2-amino cyclocarboxylates with the nitrogen atom in exocyclic position: (N-Cl)-2-amino ...
Primary Structure Of A Trypsin Inhibitor (copaifera Langsdorffii Trypsin Inhibitor-1) Obtained From C. Langsdorffii Seeds
(Association of Biomolecular Resource Facilities, 2015)
Desorption/ionization Efficiencies Of Triacylglycerols And Phospholipids Via Easi-ms
(John Wiley and Sons Ltd, 2014)