Hydrogen nuclear magnetic resonance interactions

Most aldohexopyranoses exist in a chair form in which the hydroxymethyl group at C(5) assumes an equatorial position. All the P-D-hexopyranoses exist predominantly in the 4Ci form since the alternative C4 conformer involves a large unfavourable xyn-diaxial interaction between the hydroxymethyl and anomeric group (Figure 1.8). Most of the a-D-hexopyranosides also adopt the 4Ci conformation preferentially. Only ot-idopyranoside and a-D-altropyranose show a tendency to exist in the C4 conformation, and they coexist with the alternative 4Ci conformations according to H-NMR (hydrogen nuclear magnetic resonance) spectroscopy studies. 

Mathematical models are the link between what is observed experimentally and what is thought to occur at the molecular level. In physical sciences, such as chemistry, there is a direct correspondence between the experimental observation and the molecular world (i.e., a nuclear magnetic resonance spectrum directly reflects the interaction of hydrogen atoms on a molecule). In pharmacology the observations are much more indirect, leaving a much wider gap between the physical chemistry involved in drug-receptor interaction and what the cell does in response to those interactions (through the cellular veil ). Hence, models become uniquely important. 

A solution-state and solid-state nuclear magnetic resonance study of the complex and its separate components in both their neutral and ionized (TMP hydrochloride and SMZ sodium salt) forms was undertaken in order to elucidate the TMP-SMZ interactions. Inspection of the data for the complex in the solid state shows that the 13C chemical shifts are consistent with the ionic structure proposed by Nakai and coworkers105 (14). Stabilization of the complex is achieved by the resulting ionic interaction and by the formation of two intermolecular hydrogen bonds. 

The strong curvature of the Eyring plots at temperatures below 35°C (see ref. 19a, Table V and Figure 6) points to hydrogen-bonded interactions between catalyst molecules, as already observed in 1969 by Uskokovic (52) in the H nuclear magnetic resonance (NMR) spectrum of dihydroquinine. 

A reevaluation of molecular structure of humic substances based on data obtained primarily from nuclear magnetic resonance spectroscopy, X-ray absorption near-edge structure spectroscopy, electrospray ionization-mass spectrometry, and pyrolysis studies was presented by Sutton and Sposito (2005). The authors consider that humic substances are collections of diverse, relatively low molecular mass components forming dynamic associations stabilized by hydrophobic interactions and hydrogen bonds. These associations are capable of organizing into micellar structures in suitable aqueous environments. Humic components display contrasting molecular motional behavior and may be spatially segregated on a scale of nanometers. Within this new structural context, these components comprise any molecules... 

In order to explain the spectroscopic properties, particularly nuclear magnetic resonance, of the complexes (CO)5Mn CH2 CH2 CHR Mn(CO)5 (R = H or Me), King (55) postulated an interaction between the hydrogen atoms of the alkyl chain and the manganese atoms. In the... 

Characterization of derivatized NPs can be performed using standard solution-phase techniques such as nuclear magnetic resonance (NMR), infrared (IR), and UV-Vis spectroscopy. As will be demonstrated, derivatization of NPs with specifically tailored functional groups allows exploitation of ionic and hydrogen bonding interactions for the creation of controlled assemblies for a variety of applications. 

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