NMR spectroscopy articles from across Nature Portfolio

We demonstrated increased phospholipid peroxidation due to the formation of monolysocardiolipin–cytochrome c complexes in tafazzin-deficient models of Barth syndrome. We found that a specific anti-peroxidase agent inhibited this complex and improved mitochondrial respiration. Thus, targeting the deleterious peroxidase activity offers a potential therapeutic approach to treat Barth syndrome.

The accurate prediction of molecular spectra is essential for substance discovery and structure identification, but conventional quantum chemistry methods are computationally expensive. Now, DetaNet achieves the accuracy of quantum chemistry while improving the efficiency of prediction of organic molecular spectra.

In vivo NMR spectroscopy of whole, living multicellular organisms involves maintaining live organisms within an NMR spectrometer and analysing their metabolic profiles in real time. In this Primer, Lysak and colleagues describe experimental approaches for in vivo NMR, including solution-state and magic-angle spinning NMR.

The electrolytic reduction of CO₂ in aqueous media promises a pathway for the utilization of the greenhouse gas by converting it to base chemicals, however, reactions at the electrodes and their proximity remain challenging to elucidate. Here, the authors use multinuclear in operando NMR to study CO₂ electrolysis in aqueous media and find that stable ion pairs in solution catalyze the bicarbonate dehydration reaction.

Here, the authors show that the complete set of the Atg8–E1–E2–E3 conjugation machinery forms an interaction web through multivalent weak interactions, which mediates membrane shaping observed during autophagosome formation.

The molecular basis for the functional versatility of β-arrestins in the G-protein coupled receptor signaling pathway is not well understood. Here, the authors use¹⁹F NMR spectroscopy to show that different binding partners activate β-arrestin-1 through distinct mechanisms.

High binding affinities are usually obtained when ligands are rigidified. Here the authors present flexible peptides binding to Armadillo repeat proteins with femtomolar affinity. They demonstrate that the bound state is characterized by residual dynamics limiting entropic losses upon binding.

A conformational filter that combines NMR with MD simulations to identify conformational ensembles that dominate in solution suggests dengue protease NS2B/NS3pro predominantly exists in a “closed” conformation.

We demonstrated increased phospholipid peroxidation due to the formation of monolysocardiolipin–cytochrome c complexes in tafazzin-deficient models of Barth syndrome. We found that a specific anti-peroxidase agent inhibited this complex and improved mitochondrial respiration. Thus, targeting the deleterious peroxidase activity offers a potential therapeutic approach to treat Barth syndrome.

The accurate prediction of molecular spectra is essential for substance discovery and structure identification, but conventional quantum chemistry methods are computationally expensive. Now, DetaNet achieves the accuracy of quantum chemistry while improving the efficiency of prediction of organic molecular spectra.

The mechanisms responsible for replicative misincorporation of an adenine into DNA opposite 8-oxoguanine (8OG) remain obscure. A new study suggests that 8OG redistributes the balance between several mispair conformations, enabling the high rates of misincorporation of adenine paired with 8OG by DNA polymerases.