13C-NMR chemical shift databases as a quick tool to evaluate structural models of humic substances

Christian Nyrop Albers, Poul Erik Hansen

Research output: Contribution to journalJournal articleResearchpeer-review

Abstract

Models for humic and fulvic acids are discussed based on 13C liquid state NMR spectra combined with results from elemental analysis and titration studies. The analysis of NMR spectra is based on a full reconstruction of the NMR spectrum done with help of 13C-NMR data bases by adding up chemical shifts of all substructures from the proposed models. A full reconstruction makes sure that all carbons are accounted for and enables on the negative side to discuss structural elements identified from recorded spectra of humic substances that cannot be observed in the simulated spectrum. On the positive side missing structural elements in the models can be suggested. A number of proposed structures for humic and fulvic acids are discussed based on the above analysis.
Original languageEnglish
JournalOpen Magnetic Resonance Journal
Volume3
Pages (from-to)96-105
Number of pages10
ISSN1874-7698
Publication statusPublished - 2010

Keywords

  • chemical shift data bases
  • humic acid
  • humic substances

Cite this

@article{06db4230416111df8b90000ea68e967b,
title = "13C-NMR chemical shift databases as a quick tool to evaluate structural models of humic substances",
abstract = "Models for humic and fulvic acids are discussed based on 13C liquid state NMR spectra combined with results from elemental analysis and titration studies. The analysis of NMR spectra is based on a full reconstruction of the NMR spectrum done with help of 13C-NMR data bases by adding up chemical shifts of all substructures from the proposed models. A full reconstruction makes sure that all carbons are accounted for and enables on the negative side to discuss structural elements identified from recorded spectra of humic substances that cannot be observed in the simulated spectrum. On the positive side missing structural elements in the models can be suggested. A number of proposed structures for humic and fulvic acids are discussed based on the above analysis.",
keywords = "kemisk skift databaser, humus syre, humus, chemical shift data bases, humic acid, humic substances",
author = "{Nyrop Albers}, Christian and Hansen, {Poul Erik}",
year = "2010",
language = "English",
volume = "3",
pages = "96--105",
journal = "Open Magnetic Resonance Journal",
issn = "1874-7698",
publisher = "Bentham Open",

}

13C-NMR chemical shift databases as a quick tool to evaluate structural models of humic substances. / Nyrop Albers, Christian; Hansen, Poul Erik.

In: Open Magnetic Resonance Journal, Vol. 3, 2010, p. 96-105.

Research output: Contribution to journalJournal articleResearchpeer-review

TY - JOUR

T1 - 13C-NMR chemical shift databases as a quick tool to evaluate structural models of humic substances

AU - Nyrop Albers, Christian

AU - Hansen, Poul Erik

PY - 2010

Y1 - 2010

N2 - Models for humic and fulvic acids are discussed based on 13C liquid state NMR spectra combined with results from elemental analysis and titration studies. The analysis of NMR spectra is based on a full reconstruction of the NMR spectrum done with help of 13C-NMR data bases by adding up chemical shifts of all substructures from the proposed models. A full reconstruction makes sure that all carbons are accounted for and enables on the negative side to discuss structural elements identified from recorded spectra of humic substances that cannot be observed in the simulated spectrum. On the positive side missing structural elements in the models can be suggested. A number of proposed structures for humic and fulvic acids are discussed based on the above analysis.

AB - Models for humic and fulvic acids are discussed based on 13C liquid state NMR spectra combined with results from elemental analysis and titration studies. The analysis of NMR spectra is based on a full reconstruction of the NMR spectrum done with help of 13C-NMR data bases by adding up chemical shifts of all substructures from the proposed models. A full reconstruction makes sure that all carbons are accounted for and enables on the negative side to discuss structural elements identified from recorded spectra of humic substances that cannot be observed in the simulated spectrum. On the positive side missing structural elements in the models can be suggested. A number of proposed structures for humic and fulvic acids are discussed based on the above analysis.

KW - kemisk skift databaser

KW - humus syre

KW - humus

KW - chemical shift data bases

KW - humic acid

KW - humic substances

M3 - Journal article

VL - 3

SP - 96

EP - 105

JO - Open Magnetic Resonance Journal

JF - Open Magnetic Resonance Journal

SN - 1874-7698

ER -