A review on nuclear overhauser enhancement (NOE) and rotating-frame overhauser effect (ROE) NMR techniques in food science: Basic principles and applications

Abstract

The characterization of the original chemical structure and induced changes of micro-and macro-molecules using analytical techniques with concise and detailed outcomes is potentially one of the major challenges for food scientists. To this end, the non-invasive nuclear magnetic resonance (NMR) technique can play a significant role through employment of different NMR methods. The Nuclear Overhauser effect (NOE) and rotating-frame Overhauser effect (ROE) techniques are powerful NMR methods that have attracted great interest because they provide precise information about the three dimensional spatial structure of the molecules, as well as about possible chemical reactions and interactions. Scope and approach In this article, we reviewed the basic principles as well as applications of two NMR techniques: Nuclear Overhauser effect spectroscopy (NOESY) and rotating-frame Overhauser effect spectroscopy (ROESY). Hereby, we focused mainly on the applications and importance of these techniques in food science research. Both the structural (configuration and conformation) changes and the complexes formed by interacting compounds could be better studied using these techniques. Key findings and conclusions The inter-and intra-molecular interactions within food-based ingredient mixtures, as well as configurational and conformational analyses can be more efficiently studied with the aid of NOESY and ROESY. These methods as complementary analysis tools can be exploited for the straightforward elucidation of the spatial proximity of either novel, native or modified compounds. In the future, these techniques may be helpful to better understand the interaction between polymers, such as protein-polysaccharide interactions.

Interactions between cell wall polysaccharides and polyphenols: Effect of molecular internal structure

“…There are two other variations of NMR with useful applications for the improved understanding of inter‐ and intra molecular interactions: nuclear Overhauser effect spectroscopy (NOESY) and rotating‐frame Overhauser effect spectroscopy (ROESY) (Sedaghat Doost, Akbari, Stevens, Setiowati, & Van der Meeren, 2019). These can provide direct proof of the spatial proximity between two molecules.…”

Thermally activated delayed fluorescence from confined carbon dots activated by the triple synergy effect for advanced information encryption

“…By the theory of the nuclear Overhauser enhancement (NOE), the spatial distance of atomic nuclei is less than 5 Å to produce cross peaks on the nuclear Overhauser effect spectroscopy (NOESY) spectra. 48 As shown in Fig. 7(c), there are multiple cross-peaks between the hydrogen in CD-MMT and the hydroxyl hydrogen of PVA, which proves a strong correlation between them.…”

Connecting metabolome and phenotype: recent advances in functional metabolomics tools for the identification of bioactive natural products

“…Other experiments, such as (one-dimensional) 13 C-NMR, 15 N-NMR or 19 F-NMR have to be performed offline, as they are time-consuming. Further promising tools for either structural elucidation or affinity proling of, e.g., small molecules to proteins comprise a large variety of multi-dimensional methods such as TOCSY, 131 COSY, 132 NOESY/ROESY, 133 and HMBC. 134 Another useful technique for NMR-based metabolomics is solid-state (SS) high resolution magic-angle-spinning (HRMAS)-NMR.…”

“…Further promising tools for either structural elucidation or affinity profiling of, e.g. , small molecules to proteins comprise a large variety of multi-dimensional methods such as TOCSY, 131 COSY, 132 NOESY/ROESY, 133 and HMBC. 134 …”