Nuclear magnetic resonance combinatorial libraries

Boutin JA, Hennig P, Lambert PH, Bertin S, Petit L, Mahiev JP, Serkiz B, Volland JP, Fauchere JL, Combinatorial peptide libraries Robotic synthesis and analysis by nuclear magnetic resonance, mass spectrometry, tandem mass spectrometry, and high-performance capillary electophoresis techniques, Anal. Biochem., 234 126-141, 1996. 

Following the introduction presented in Chapter 1, this book discusses the application and use of specific analytical techniques (mass, infrared, and nuclear magnetic resonance spectrometry, chromatography, and capillary electrophoresis) in the combinatorial chemistry field (Chapters 2-6). It also discusses how to make sense of the vast amounts of data generated (Chapter 7), details how the actual libraries of compounds produced are utilized (Chapter 8), and lists some of the vast commercial resources available to researchers in the field of combinatorial chemistry (Chapter 9). 

B. Volland, J.P f auchbre, J.L. Combinatorial Peptide Libraries Robotic Synthesis and Analysis by Nuclear Magnetic Resonance, Mass Spectrometry, Tandem Mass Spectrometry, and High-performance Capillary Electrophoresis Techniques, AnflZ. Biochem. 234, 126-141 (1996). 

JA Boutin, P Hennig, P-H Lambert, et al. Combinatorial peptide libraries robotic synthesis and analysis by nuclear magnetic resonance, mass spectrometry, tandem... 

Nuclear magnetic resonance (NMR) spectroscopy is the most informative analytical technique and is widely applied in combinatorial chemistry. However, an automated interpretation of the NMR spectral results is difficult (3,4). Usually the interpretation can be supported by use of spectrum calculation (5-18) and structure generator programs (8,12,18-21). Automated structure validation methods rely on NMR signal comparison using substructure/ subspectra correlated databases or shift prediction methods (8,15,22,23). We have recently introduced a novel NMR method called AutoDROP (Automated Definition and Recognition of Patterns) to rapidly analyze compounds libraries (24-29). The method is based on experimental data obtained from the measured ID or 2D iH,i C correlated (HSQC) spectra. 

---