公开(公告)号：US20050148838A1

公开(公告)日：2005-07-07

申请号：US10505032

申请日：2003-03-18

申请人： Paul Gamache ,  John Waraska

发明人： Paul Gamache ,  John Waraska

IPC分类号： G01N27/62 ,  A61B5/05 ,  G01N21/27 ,  G01N21/33 ,  G01N21/35 ,  G01N24/08 ,  G01N27/28 ,  G01N27/416 ,  G01N27/42 ,  G01N27/49 ,  G01N33/15 ,  G01N33/50

CPC分类号： G01N27/327

摘要： Serial electrochemical flow cells coupled in-line with electrospray ionization mass spectrometry (MS) provides rapid electrochemical (EC) study of biologically relevant oxidation-reduction (redox) reactions. Compounds, introduced by flow injection, are subjected to rapid electrolysis and products were monitored by MS. Serial coulometric EC-MS allows high-throughput study of relative compound reactivity, resultant formation of “related substances” and determaination of metabolic and chemical “soft spots.” Serial coulometric EC-MS thus represents a mechanistic probe that can be consistently and reproducibly applied to large compound libraries to generate “modeling friendly” data for prediction and assessment of drug-like properties.

摘要翻译： 串联电化学流动池与电喷雾离子化质谱联用（MS）提供了生物相关氧化还原（氧化还原）反应的快速电化学（EC）研究。 通过流动注射引入的化合物经受快速电解，并通过MS监测产物。 串联库仑EC-MS允许相对复合反应性的高通量研究，形成“相关物质”和确定代谢和化学“软斑点”。 串联库仑EC-MS因此代表一种机械性探针，可以一致和可重复地应用于大型化合物库，以产生“建模友好”数据，以预测和评估药物样性质。