title: Direct-injection NMR (DI-NMR): a flow NMR technique for the analysis of combinatorial chemistry libraries.
abstract: A new tool for analyzing compound libraries by NMR has been developed. Aliquots of solution-state samples (between 120 and 350 microL) are directly injected, using a standard liquids handler, into an NMR (LC-NMR) flow probe. Automated NMR software tracks--and suppresses--intense signals arising from the nondeuterated solvents used (if any) and acquires high-sensitivity one-dimensional 1H NMR spectra. An 88-member combinatorial library, dissolved in DMSO and stored in a 96-well microtiter plate, has been analyzed a number of ways using this technique. This nondestructive technique, which we call direct-injection NMR (DI-NMR) and which is embodied in our versatile automated sample changer (VAST) hardware, has proven to be both routine and robust. Our success in automatically acquiring the NMR data for entire plates of library compounds (within 4-8 h) has caused us to develop new ways to display and analyze the resulting NMR data, as will be shown here.
authors.affiliation: Varian NMR Systems, Palo Alto, California 94304-1030, USA. paul.keifer@varianinc.com
authors.forename: P A
authors.initials: PA
authors.lastname: Keifer
authors.forename: S H
authors.initials: SH
authors.lastname: Smallcombe
authors.forename: E H
authors.initials: EH
authors.lastname: Williams
authors.forename: K E
authors.initials: KE
authors.lastname: Salomon
authors.forename: G
authors.initials: G
authors.lastname: Mendez
authors.forename: J L
authors.initials: JL
authors.lastname: Belletire
authors.forename: C D
authors.initials: CD
authors.lastname: Moore
mesh_terms: D002625:Chemistry, Organic / Q000379:methods*; D002853:Chromatography, Liquid; D002855:Chromatography, Thin Layer; D003625:Data Collection; D016208:Databases, Factual; D004121:Dimethyl Sulfoxide / Q000737:chemistry; D009682:Magnetic Resonance Spectroscopy / Q000295:instrumentation / Q000379:methods*; D013058:Mass Spectrometry; D012984:Software; D012997:Solvents
chemical_list: D012997:Solvents; D004121:Dimethyl Sulfoxide