Goal of this section is to present cases how line shapes for different models will appear in direct titrations: L(titrant) to R(NMR-observable); as well as in reverse titrations: R(unlabeled titrant) to L(NMR-observable). I want to explore opportunities to tell apart different mechanisms, which otherwise produce very similar line shapes.
We will consider models that may be alternatives of each other:
| Direct titration: Ligand added to NMR-observable Receptor | Reverse titration : Receptor added to NMR-observable Ligand | ||
| 1 | U
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U
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| 2 | U_R
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U_L
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| 3 | U_RL
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U_RL
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| 4 | U_R2
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U_L2
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| 5 | U_R2L2
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U_R2_L2
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I will consider different combinations of exchange regimes. They are not entirely distinct and better be thought of representation of a continuum of conditions. I want to observe general trends and formulate some recipes on how to analyze these systems.
Additional note: the choice of chemical shifts for species is arbitrary. I only try to follow general relations between Kex and dw but it is not always unambiguous.
unfinished
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