Chemical exchange phenomena in NMR spectra can be quantitatively interpreted to measure the rates of ligand binding, as well as conformational and chemical rearrangements. In macromolecules, processes that occur slowly on the chemical shift time scale are frequently studied using 2D heteronuclear ZZ or N(z)-exchange spectroscopy. However, to successfully apply this method, peaks arising from ea...

[reaction: see text] Self-assembled ionophores, formed by hydrogen bonding of isoG 1 around a cation, are dynamic structures. Multinuclear NMR spectroscopy in CD(3)CN-CDCl(3) showed that cation exchange is >10(4) faster than exchange of isoG 1 ligand in (isoG 1)(10)-Cs(+) Ph(4)B(-). The cationic guest also affected the kinetic stability of the complex. 2D-EXSY NMR experiments in CDCl(3) showed ...

The exchange of the carboxylato ligands of Zr4O2(methacrylato)12 in reactions with carboxylic acids proceeds with retention of the composition and structure of the cluster core. This was concluded from exchange/re-exchange experiments and from comparison of the IR bands of the cluster core of the original and ligand-exchanged clusters. The IR bands were assigned on the basis of DFT calculations...

3.1. Fast Exchange Approximation 3645 4. Ligand-Based versus Receptor-Based Screening 3646 5. Ligand-Based NMR Screening Methods 3646 5.1. Transverse Relaxation Rates 3647 5.2. Longitudinal Relaxation Rates 3649 5.3. Paramagnetic Relaxation Enhancements 3649 5.4. 19F Relaxation 3650 5.5. Saturation Transfer Difference (STD) Methods 3650 5.6. WaterLOGSY 3653 5.7. Exchange-Transferred NOE 3656 5....

High-throughput structure determination of protein-ligand complexes is central in drug development and structural proteomics. To facilitate such high-throughput structure determination we designed an induced replacement strategy. Crystals of a protein complex bound to a photosensitive ligand are exposed to UV light, inducing the departure of the bound ligand, allowing a new ligand to soak in. W...

Nanofocused synchrotron X-ray fluorescence and inductively coupled plasma-mass spectrometry provide insights into time-dependent ligand exchange reactions of organo-osmium anticancer complexes in cancer cells. Created with Biorender.com.