Quantitative, label-free and site-specific monitoring of molecular recognition: a multivariate resonance Raman approachThis article is part of the 'Emerging Investigators' themed issue for ChemComm.Electronic supplementary information (ESI) available: 1. Experimental electronic absorption spectrum of the receptor CBS-KKF; 2. experimental UV resonance Raman binding study; 3. calculated contributions of free receptor and complex to the experimental spectrum of CBS-KKF and 1.2 eq. of the ligand AE3

A site-specific and quantitative approach for label-free monitoring of molecular recognition is presented. Specifically, the binding site of an artificial receptor is probed selectively by UVRR spectroscopy. The ligand binding constant can be determined by non-negative matrix factorization. A site-specific and quantitative approach for label-free monitoring of molecular recognition is presented. Specifically, the binding site of an artificial receptor is probed selectively by UVRR spectroscopy. The ligand binding constant can be determined by non-negative matrix factorization.