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

Christian Nyrop Albers, Poul Erik Hansen

Publikation: Bidrag til tidsskriftTidsskriftartikelForskningpeer review

Resumé

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.
OriginalsprogEngelsk
TidsskriftOpen Magnetic Resonance Journal
Vol/bind3
Sider (fra-til)96-105
Antal sider10
ISSN1874-7698
StatusUdgivet - 2010

Emneord

  • kemisk skift databaser
  • humus syre
  • humus

Citer dette

@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.

I: Open Magnetic Resonance Journal, Bind 3, 2010, s. 96-105.

Publikation: Bidrag til tidsskriftTidsskriftartikelForskningpeer 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 -