Page 9 - Chiral Separation Techniques

Contents IX

3.8 Conclusion 92
References 93

4 CHIRBASE: Database Current Status and Derived Research
Applications Using Molecular Similarity, Decision Tree and
3D "Enantiophore" Search 97
Christian Roussel, Johanna Pierrot-Sanders, Ingolf Heitmann, Patrick
Piras

4.1 Introduction 97
4.2 Database Status, Content and Structure 99
4.3 Data Registration 101
4.4 Searching the System 103
4.4.1 The Query Menu 104
4.4.2 The Automatic Search Tool 105
4.5 3D Structure Database Searches 108
4.5.1 Queries Based on CSP Receptor 108
4.5.2 Queries Based on Sample Ligand 112
4.6 Dealing with Molecular Similarity 115
4.6.1 Comparison of Sample Similarities within a Molecule Dataset 116
4.6.2 Comparison of Molecule Dataset Similarities between Two CSPs 118
4.7 Decision Tree using Application of Machine Learning 121
4.8 Conclusion 124
References 125

5 Membranes in Chiral.Separations 129
M. F. Kernmere, J. T. F. Keurentjes

5.1 Introduction 129
5.2 Chiral Membranes 130
5.2.1 Liquid Membranes 130
5.2.1.1 Emulsion Liquid Membranes 131
5.2.1.2 Supported Liquid Membranes 132
5.2.1.3 Bulk Liquid Membranes 132
5.2.2 Polymer Membranes 134
5.2.3 Molecular Imprinted Polymers 136
5.2.4 Cascades of Enantioselective Membranes 139
5.3 Membrane-Assisted Chiral Separations 140
5.3.1 Liquid-Liquid Extraction 141
5.3.2 Liquid-Membrane Fractionation 143
5.3.3 Micellar-Enhanced Ultrafiltration 147
5.4 Concluding remarks 149
References 150