A Practical Guide for Nuclear Resonance Vibrational Spectroscopy (NRVS) of Biochemical Samples and Model Compounds

Abstract

Summary Nuclear resonance vibrational spectroscopy (NRVS) has been used by physicists for many years. However, it is still a relatively new technique for bioinorganic users. This technique yields a vibrational spectrum for a specific element, which can be easily interpreted. Furthermore, isotopic labeling allows for site-specific experiments. In this chapter we discuss how to access specific beamlines, what kind of equipment is used in NRVS and how the sample should be prepared and the data collected and analyzed.

Spectroscopic and Computational Investigations of Ligand Binding to IspH: Discovery of Non‐diphosphate Inhibitors

“…NRVS provides 57 Fe-specific information on the partial vibrational density of states (PVDOS) for Fe-X vibrational modes in a molecule [18] . For systems containing 4Fe-4S cubane-like clusters, such as IspH, there are typically four main NRVS features, as shown schematically in Figure 1A [18–21] : cluster torsional modes occur at <100 cm −1 ; δ (S-Fe-X) bending modes at ~150 cm −1 ; ν (Fe-S) (cluster) stretching modes at ~280 cm −1 and ν (Fe-S ter ) (terminal) stretching modes in the ~320–370 cm −1 range.…”

Spectroscopic analyses of 2-oxoglutarate-dependent oxygenases: TauD as a case study

“…Additional spectroscopic methods to probe the metallocenter, such as nuclear resonance vibrational spectroscopy [80, 81], have not yet been applied to this enzyme, but have been used for other family members [82]. Non-spectroscopic techniques further extend the significant information available on this enzyme.…”

Reaction Coordinate Leading to H2 Production in [FeFe]-Hydrogenase Identified by Nuclear Resonance Vibrational Spectroscopy and Density Functional Theory

“…21 NRVS is a synchrotron-based X-ray technique that involves observation of vibrational sidebands that occur in combination with nuclear transitions. 22-24 57 Fe NRVS is particularly useful for vibrational analysis of Fe-containing enzymes because it is only sensitive to normal modes with 57 Fe motion. Using the recently developed method of artificial maturation of [FeFe]-hydrogenase with [2 57 Fe] H -labeling makes the technique completely selective for the normal modes of the subcluster.…”