interpretation of 2D NMR spectra ‐ perfection of 2D NMR spectraProfessor R. R. Ernst's outstanding contributions to 2D NMR theoriesstructure of an unknown compound ‐ deduced objectively using its 1H spectrumeach kind of 2D NMR spectrum ‐ having its own features...
of the NMR Spectra of Proteins Peter Edwards, Derek Sleeman, Gordon C.K. Roberts & Lu Yun Lian 1 Introduction The use of computers in chemistry and biochemistry has been widespread for many years, with machines performing many complex numerical calcula- ...
The interpretation of NMR spectra of small organic molecules is first considered as the method of extracting the chemical shifts and coupling constant spectral parameters from 1H NMR spectra and then as the means of establishing relationships between spectra and the structure of small organic molecules...
For teaching purposes, CMC-assist is also available as a Classroom edition, which includes all the chemistry centered NMR features of CMC-assist, except the automatic spectra assignment. In addition, extensive supporting materials and training data sets is available. ...
Validation and refinement of expert systems: interpretation of NMR spectra as an application in analytical chemistry. Chemometrics and Intelligent Laboratory Systems, 12: 57–67.In this article we propose a strategy for the validation and improvement of expert systems in analytical chemistry. An ...
The closing round table of the meeting was focussed on the fundamental issues of calculating protein structures from NMR data, with special emphasis on the as yet unsolved problems of NMR protein structure determination1. No papers were presented in this session and, to stimulate wide participation...
Fig. 1(A) shows, as an example, the third-derivative absorption spectra of daunorubicin with increasing lipid concentration at pH 6.3 and 37 °C, which allowed the elimination of the background noise caused by light scattering of lipid vesicles. A shift in the λmax with increasing lipid con...
The calculated parameters of the EPR spectra of complexes of d 1 and d 9 ions were presented. The covalent bond parameters used in the calculations were determined from EPR and experimental optical data (inverse problem of EPR spectroscopy). Various contributions to the expressions for the EPR ...
The detection of bridging tetrahedra, or Q2(L), in the silica chains constituting C–S–H gels is controversial. While some authors maintain that 29SiMAS-NMR can be used to distinguish between Q1 and Q2 units but not between the silicon environments associated with Q2 (intermediate position...
ChemInform Abstract: INTERPRETATION DIFFICULTIES OF THE NMR SPECTRA OF ARENOBISHOMOTROPONIC SYSTEMSmagnetic resonance, nuclear quadrupole resonance (organic substancesstructure (organic substancesNo abstract is available for this article.doi:10.1002/chin.197914052...