Abstract
The chemical shift anisotropy tensor and site-specific spin-lattice relaxation time of folic acid were determined by a 13C 2DPASS CP-MAS NMR experiment and Torchia CP experiment respectively. The molecular correlation time at various carbon nuclei sites of folic acid was evaluated by assuming that the 13C spin-lattice relaxation mechanism is mainly governed by chemical shift anisotropy interaction and hetero-nuclear dipole–dipole coupling. CSA parameters are larger for the carbon nuclei residing at the heteroaromatic ring and aromatic ring, and those attached to double-bonded electronegative oxygen atoms. It is comparatively low for C9, C19, C21, and C22. The molecular correlation time is of the order of 10−4/10−5 s for C9, C19, C21 and C22 carbon nuclei, whereas it is of the order of 10−3 s for the rest of the carbon nuclei sites. Spin lattice relaxation time varies from 416 s to 816 s. For C23 and C14, the value is 816 s, and it is 416 s for C7 nuclei. The correlation between structure and dynamics on an atomic scale of such an important drug as folic acid can be visualized by these types of extensive spectroscopic measurements, which will help to develop an advanced drug for DNA replication.
Highlights
Folic acid is indispensable for DNA replication, growth, and development of the fetus
50 mg folic acid was tightly packed in 3.2 mm JEOL double resonance MAS probe for performing solid state Nuclear magnetic resonance (NMR) experiments. 13C CP-MAS and 15N CP-MAS experiments were done at magic angle spinning speed 10 kHz
That the folic acid molecule is composed of pteridine, p-aminobenzolate, and glutamate moieties
Summary
Folic acid (vitamin B9) is indispensable for DNA replication, growth, and development of the fetus. >>; study the structure and dynamics of this essential dietary supplement by extracting chemical shi anisotropy (CSA) parameters by 2DPASS CP-MAS NMR experiment; spin-lattice relaxation time at chemically different carbon nuclei positions by Torchia CP method; and determination of molecular correlation time at numerous carbon nuclei position. This type of research will enlighten the path of inventing dietary supplements, which can reduce the risk of birth defects. For solid sample it is possible to extract information about the electronic distribution surrounding the nucleus by determining the values of d11, d22, and d33.
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
