Nuclear magnetic resonance (NMR) spectroscopy uses the magnetic spin properties of atomic nuclei within a molecule to identify atoms that are close together in space (either because they are bonded together or because folds of a protein chain bring them together). This information is used to derive a three-dimensional model of a protein in solution (a ‘solution structure’). Only certain isotope...

The first NMR spectra of proteins, obtained in the 1950s and 1960s, focused on the 1H nucleus because of its spin I = 1/2 nature, high natural abundance, and sensitivity.1 – 6 However, because of the small range of chemical shifts (due to folding) and the low spectral resolution available on 60-, 100-, and even 220-MHz instruments, there was relatively little spectral resolution available, and ...

The interactions of the carboxyl group of oleic acid with bovine serum albumin (BSA) were studied by 13C NMR spectroscopy at 50.3 MHz using 90% isotopically substituted [1-13C]oleic acid. 13C NMR spectra were obtained as a function of the mole ratio of oleic acid to BSA (from 0.5-10.0) and, for selected mole ratios, as a function of pH (between pH 3.0 and 10.6) and temperature (between 15 and 5...

Quantum computing is the field of science that uses quantum-mechanical phenomena, such as superposition and entanglement, to perform operations on data. The fundamental information unit used in quantum computing is the quantum bit or qubit. It is well-known that quantum computers could theoretically be able to solve problems much more quickly than any classical computers. Currently, the first a...

We measured the 15N -, 1 H -, and l1C_ NMR chemIcal shIfts for a senes of aromatIc dlammes and aromatIc tetracarboxyhc dlanhydndes dIssolved m DMSO-db , and dIscuss the relatIOnshIps between these chemIcal shIfts and the rate constants of acylatIOn (k) as well as such electronIc-property-related parameters such as IOnIzatIOn potentIal (IP), electrOnIc affinIty (EA), and the energy E of the hIgh...