Solution structure of folic acid
| Autor: | Raffaella Lampariello, Claudia Bonechi, Claudio Rossi, Maso Ricci, Alessandro Donati, Maria Pia Picchi, Silvia Martini |
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| Rok vydání: | 2004 |
| Předmět: |
biology
Chemistry Relaxation (NMR) Thermodynamics biology.organism_classification Molecular mechanics Atomic and Molecular Physics and Optics Spectral line Analytical Chemistry Molecular dynamics Folic acid Computational chemistry Molecule Corma Instrumentation Two-dimensional nuclear magnetic resonance spectroscopy Spectroscopy |
| Zdroj: | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 60:1411-1419 |
| ISSN: | 1386-1425 |
| DOI: | 10.1016/j.saa.2003.08.007 |
| Popis: | The structure of folic acid in solution was investigated by nuclear magnetic resonance (NMR) and theoretical calculations. Dynamical information and geometrical constraints were obtained by carbon-13 relaxation study, homo-nuclear NOESY spectra and hetero-nuclear 1H-13C NOE experiments. This set of experimental data was used for the molecular mechanics and molecular dynamic calculations. The accuracy of the final structure was established by the R(NMR) factor, which was calculated comparing the experimental NOESY cross-peaks intensities and the corresponding values simulated by using the complete relaxation matrix analysis (CORMA) approach. |
| Databáze: | OpenAIRE |
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