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J Am Chem Soc. 2008 Jul 23;130(29):9232-3. doi: 10.1021/ja803443j. Epub 2008 Jun 24.

High-throughput screening of identity, enantiomeric excess, and concentration using MLCT transitions in CD spectroscopy.

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Department of Chemistry and Biochemistry, The University of Texas at Austin, Austin, Texas 78712, USA.


This manuscript describes a protocol for the fast determination of identity, enantiomeric excess (ee) and concentration of chiral 1,2-diamines, the combination of which has not previously been achieved, using the changes in the circular dichroism (CD) spectra of the charge-transfer bands of the Cu(I)-Binap complex. The spectra were analyzed with a variety of pattern recognition (PR) protocols. PR techniques were used to analyze unknown samples in a robotically controlled 96-well plate interfaced CD instrument. In less than two minutes per sample, ee and concentration values can be read with 2% and 8% error, respectively. The speed and accuracy as well as ability to simultaneously measure ee concentration and identity represent clear advantages over traditional methods and makes this method adaptable to true high-throughput screening.

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