Multidimensional reaction screening of ortho-alkynyl benzaldehydes with a variety of catalysts and reaction partners was conducted in an effort to identify new chemical reactions. Reactions affording unique products were selected for investigation of preliminary scope and limitations.

Computer-assisted structure elucidation (CASE) using a combination of 1D and 2D NMR data has been available for a number of years. These algorithms can be considered as "logic machines" capable of deriving all plausible structures from a set of structural constraints or "axioms", defined by the spectroscopic data and associated chemical information or prior knowledge. CASE programs allow the spectroscopist not only to determine structures from spectroscopic data but also to study the dependence of the proposed structure on changes to the set of axioms. In this article, we describe the application of the ACD/Structure Elucidator expert system to help resolve the conflict between two different hypothetical hexacyclinol structures derived by different researchers from the NMR spectra of this complex natural product. It has been shown that the combination of algorithms for both structure elucidation and structure validation delivered by the expert system enables the identification of the most probable structure as well as the associated chemical shift assignments.

Sample preparation has historically been, and continues to be, the most challenging part of the bioanalytical workflow. Several techniques have been developed over the years to deal with the problems of recovery and matrix effects in an effort to increase the reliability and robustness of the bioanalytical method. In recent years certain techniques have come into prominence and gained acceptance in routine sample preparation, and some have shown promise in their use in a discovery environment where speed is critical and method development time is often limited. The aim of this review is to examine several of these techniques and provide examples of their use from the literature, as well as comment on their utility in current workflows.

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