High-throughput screening of identity, enantiomeric excess, and concentration using MLCT transitions in CD spectroscopy.
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.
Nieto
Sonia
S
Department of Chemistry and Biochemistry, The University of Texas at Austin, Austin, Texas 78712, USA.
Lynch
Vincent M
VM
Anslyn
Eric V
EV
Kim
Hyunwoo
H
Chin
Jik
J
D002942:Circular Dichroism / Q000379:methods*; D020650:Combinatorial Chemistry Techniques / Q000379:methods*; D003300:Copper / Q000737:chemistry*; D003959:Diamines / Q000737:chemistry; D008024:Ligands; D009281:Naphthalenes / Q000737:chemistry; D016571:Neural Networks, Computer; D009942:Organometallic Compounds / Q000737:chemistry*; D013237:Stereoisomerism
C406943:BINAP, 2-naphthol; D003959:Diamines; D008024:Ligands; D009281:Naphthalenes; D009942:Organometallic Compounds; D003300:Copper