Studies on the NMR methodology for characterizing the structure of polymers and biopolymers based on the understanding of the NMR chemical shift/structure correlation using solution-state and solid-state NMR experiments, the development of the NMR chemical shift theory and their combination have been reviewed. Polymer Journal (2012) 44, 734–747; doi:10.1038/pj.2012.95; published online 13 June ...

Additional supplementary material, including the structures used in the chemical shift prediction, can be found on Table S1. UniProt codes, names, PDB IDs and resolution of the X-ray structures, residues included in the models, and the BMRB codes of the chemical shift data of the 17 proteins used in this study. " a " indicates an NMR refined x-ray structure.

Ocular images were obtained using sodium chemical shift imaging (CSI) and 1,4,7,10-tetraazacyclododecane-N,N'N",N"'-tetramethylenephospho nate thulium (III) [Tm(DOTP)5-], a paramagnetic chemical shift reagent. After injecting the shift reagent into the anterior chamber of rabbits, serial imaging was done, monitoring the change in chemical shift with time. Sodium CSI produced images of the eye i...

The introduction of CF(3) reporter groups close to the paramagnetic centre in macrocyclic lanthanide(iii) complexes allows faster acquisition of (19)F magnetic resonance data, and amplifies chemical shift non-equivalence, as exemplified by the definition of ratiometric chemical shift probes for pH and, in principle, enzyme activity.

New chiral derivatizing agents have been prepared through a simple, short-step synthesis. The absolute configuration of α-chiral carboxylic acids can be assigned on the basis of the NMR chemical shift difference between diastereomeric esters. Because of the modular structures of the agents, the anisotropic effect could be easily manipulated to afford large chemical shift differences even in pol...

A formamide molecule is allowed to form a CH O H-bond with a glycine dipeptide in both its C5 and C7 internal conformations. As this intermolecular H-bond is elongated, the contraction of the CAH covalent bond is monitored, as is its vibrational stretching frequency and intensity, along with NMR chemical shifts of the atoms involved in the H-bond. The degree of shortening of the CAH bond become...

The phosphorus chemical shift tensors of two dithiadiphosphetane disulfides, 2,4-bis(4-methoxyphenyl)-1,3-dithia-2,4-diphosphetane-2,4-di sulfide (1) and 2,4-bis(methylthio)-1,3-dithia-2,4-diphosphetane-2,4-disu lfi de (2), have been characterized by solid-state 31P nuclear magnetic resonance (NMR) measurements. The weak homonuclear dipolar interaction between the two 31P nuclei in each of thes...

Incomplete motional averaging of chemical shift anisotropy upon weak alignment of nucleic acids and proteins in a magnetic field results in small changes in chemical shift. Knowledge of nucleus-specific chemical shift (CS) tensor magnitudes and orientations is necessary to take full advantage of these measurements in biomolecular structure determination. We report the determination by liquid cr...

Z. Naturforsch. 40 a, 126-130 (1985); received November 23, 1984 Dedicated to Professor Dr. Alarich Weiss on the occasion of his 60th birthday The angular dependence of the chemical shift of the Si nuclear magnetic resonance has been measured in a synthetic single crystal of Mg2Si04 (space group Pbnm, Z = 4). The measurements were performed at room temperature at a frequency of 39.758 MHz using...

Xylometazoline is a drug which is used as a topical nasal decongestant. It is applied directly into the nose, either as a spray or as drops. Xylometazoline is an imidazole derivative which is designed to mimic the molecular shape of adrenaline. It binds to alpha-adrenergic receptors in the nasal mucosa. Due to its sympathomimetic effects, it should not be used by people with high blood pressure...