𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Spectral analysis of 1H coupled 13C spectra of the amino acids: adaptive spectral library of amino acid 13C isotopomers and positional fractional 13C enrichments

✍ Scribed by Mika Tiainen; Hannu Maaheimo; Matthias Niemitz; Pasi Soininen; Reino Laatikainen

Publisher
John Wiley and Sons
Year
2008
Tongue
English
Weight
312 KB
Volume
46
Category
Article
ISSN
0749-1581

No coin nor oath required. For personal study only.

✦ Synopsis

Abstract

The natural abundance ^1^H‐coupled ^13^C NMR spectra of all proteogenic amino acids were measured in D~2~O at pH* 1. The accurate ^1^H,^13^C spin‐spin coupling constants were analyzed using total‐line‐shape fitting. The obtained spectral parameters can be used to establish a spectral library of amino acid ^13^C isotopomers. The adaptive spectral library principle is introduced and discussed in this article. The simulated spectra can be applied to quantification of ^13^C isotopomer mixtures of amino acids and, thus, for exploring metabolic pathways. Also a protocol for amino acid ^13^C isotopomer metabolomic profiling in ^13^C labeled glucose feeding experiments is outlined. The approach is suggested to give invaluable information about positional fractional ^13^C enrichments, which are not easily available by any other method. Copyright © 2007 John Wiley & Sons, Ltd.

📜 SIMILAR VOLUMES

13C isotope effects on 1H chemical shift
13C isotope effects on 1H chemical shifts: NMR spectral analysis of 13C-labelled D-glucose and some 13C-labelled amino acids
✍ Mika Tiainen; Hannu Maaheimo; Pasi Soininen; Reino Laatikainen 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 187 KB

## Abstract The one‐ and two‐bond ^13^C isotope shifts, typically −1.5 to −2.5 ppb and −0.7 ppb respectively, in non‐cyclic aliphatic systems and up to −4.4 ppb and −1.0 ppb in glucose cause effects that need to be taken into account in the adaptive NMR spectral library‐based quantification of the

Studies of 13C NMR spectra of 13C-enrich
Studies of 13C NMR spectra of 13C-enriched cycloartenol biosynthesized from [1-13C]-, [2-13C]-and [1,2-13C2]-acetate. Revised 13C NMR spectral assignments of cycloartenol and cycloartanol and 13C NMR spectral support for the generally accepted skeleton formation mechanism of cycloartenol
✍ Wasuke Kamisak; Chie Honda; Kiyoko Suwa; Koichiro Isoi 📂 Article 📅 1987 🏛 John Wiley and Sons 🌐 English ⚖ 409 KB

Previously proposed I3C NMR spectral assignments of cycloartenol(9,19-cyclolanost-24-en-3j?-ol) (1) and cycloartanol(9,19-cyclolanostan-3/3-ol) (2) were re-examined by means of 13C-enrichment experiments and LIS measurement of "C chemical shifts. Revised signal assignments are proposed for C-

1H, 13C and 15N NMR spectral assignments
1H, 13C and 15N NMR spectral assignments of adenosine derivatives with different amino substituents at C6-position
✍ Silvana Casati; Ada Manzocchi; Roberta Ottria; Pierangela Ciuffreda 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 94 KB

## Abstract The complete ^1^H, ^13^C and ^15^N NMR signals assignment of adenosine derivatives differently substituted at C^6^‐position was achieved using one‐ and two‐dimensional experiments (gs‐COSY, gs‐NOESY, gs‐HSQC and gs‐HMBC). Copyright © 2011 John Wiley & Sons, Ltd.

Applicability of vicinal heteronuclear (
Applicability of vicinal heteronuclear (13C-1H, 15N-1H, 13C-15N) coupling constants for conformational analysis of amino acids: Phenylalanine, α-aminobutyric acid and β-alanine
✍ Bozhana P. Mikhova; Mario F. Simeonov; Stefan L. Spassov 📂 Article 📅 1985 🏛 John Wiley and Sons 🌐 English ⚖ 335 KB

The vicinal "G'H, "N-'H and %-"N spin coupling constants were obtained from the 'H and =C NMR spectra of various ionic forms of the amino acids phenylalanine, a-aminobutyric acid and p-alanine, and also from their "N isotopomers. It is concluded that the "C-'H and =N-lH coupling constants are reliab

1H and 13C spectral assignments of 7β-(c
1H and 13C spectral assignments of 7β-(cinnamoyl-substituted)amino-3-acetoxymethyl-cephalosporins
✍ Miguel A. López; Zalua Rodríguez; Maritza González; Blanca Tolón; Rizette Avila; 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 89 KB

## Abstract The ^1^H and ^13^C spectroscopic data for 7β‐(cinnamoyl‐substituted)amino‐3‐acetoxymethyl‐cephalosporins were fully assigned by a combination of one‐ and two‐dimensional experiments. Substitution on the aromatic ring and on the double‐bond α‐position of the cinnamoyl moiety has little i

Accurate Determination of13C Enrichments
Accurate Determination of13C Enrichments in Nonprotonated Carbon Atoms of Isotopically Enriched Amino Acids by1H Nuclear Magnetic Resonance
✍ Volker F. Wendisch; Albert A. de Graaf; Hermann Sahm 📂 Article 📅 1997 🏛 Elsevier Science 🌐 English ⚖ 113 KB

A method for the accurate determination of 13C enrichments in nonprotonated carbon atoms of organic compounds that makes use of unresolved 13C satellites of proton(s) bonded to the vicinal carbon atom was developed. Using glutamate as a model molecule, this 1H nuclear magnetic resonance (NMR) invers