COMPARISON OF PARTIAL LEAST-SQUARE METHOD AND CANONICAL CORRELATION-ANALYSIS IN A QUANTITATIVE STRUCTURE-RETENTION RELATIONSHIP STUDY

The retention of 7 monotetrazolium and 9 ditetrazolium salts was deter mined on alumina and reversed-phase (RP) alumina layers using n-hexane -1-propanol and water-l-propanol mixtures as eluents. The retention ca pacity and the specific surface area of solutes in contact with the st ationary phases were calculated. The relationship between retention ch aracteristics and physicochemical parameters of solutes was elucidated by canonical correlation analysis and partial least-square regression analysis. Both methods found significant relationships between the ch romatographic and physicochemical parameters, however, the results wer e different according to the method applied. Calculations suggested th at the retention on both alumina-and RP alumina layers is of mixed cha racter, hydrophobic, electronic and steric parameters are equally invo lved in the retention. (C) 1998 Elsevier Science B.V. All rights reser ved.