Graphical abstractA catalytic system including a Pd(OAc)2-bis(oxazoline) complex bonded to 3-mercaptopropyl-functionalized silica gel is presented. The catalyst was tested for Suzuki–Miyaura reactions. The heterogeneity of the catalytic system was studied indicating that there is virtually no Pd-leaching. Furthermore, the catalyst can be reused multiple times without significant loss of stability or structure.Highlights► A Pd(OAc)2-bis(oxazoline) complex on functionalized silica gel is presented. ► The catalyst was tested for Suzuki–Miyaura reactions. ► The investigation of the heterogeneity indicated that there is virtually no Pd-leaching. ► The catalyst can be reused multiple times without loss of stability or structure.

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Log Po/w based models are often used for the retention time prediction of reversed phase liquid chromatography. Here, we present the investigation of the applicability of log Po/w based retention time predictions for the separation in capillary electro-chromatography (CEC). A test set of five polycyclic aromatic hydrocarbons was separated using two different stationary phases with three different mobile phases each. The resulting retention times were correlated with the experimental log Po/w values as well as with calculated log Po/w values. The used methods include quantitative structure property relationship (QSPR) models as well as molecular dynamic methods such as the linear interaction energy (LIE) or the Bennett acceptance ratio (BAR). The results indicate that rigorous simulation models are capable of accurately reproducing experimental results and that the electrophoretic mobility of analytes in CEC separations leads to significant deviations in the retention time prediction.

Grundlage von wenigen Basismessungen systematisch durchzuführen.In der Regel ist die Methodenentwicklung in der HPLC ein empirisches Verfahren, bei dem der Anwender auf Grundlage seiner bisherigen Erfahrungen verschiedene Parameter verändert, mit dem Ziel eine robuste RoutineMethode zu erstellen. Diese Vorgehensweise ist sowohl zeit-als auch kostenintensiv und sollte durch eine systematische, Software-unterstützte Methodenentwicklung ersetzt werden. Mit Hilfe dieser Software kann die Retention der Analyten in Abhängigkeit verschiedener chromatographischer Parameter modelliert werden.Im Rahmen des Beitrags wird die Genauigkeit der Simulation von Retentionszeiten des mathematischen Modells in Abhängigkeit von Temperaturgradienten in der HT-HPLC dargestellt (Abb.).

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