dc.contributor.author |
Zhu, Wenyao |
|
dc.contributor.author |
Benkwitz, Frank |
|
dc.contributor.author |
Sarmadi, Bahareh |
|
dc.contributor.author |
Kilmartin, Paul A |
|
dc.coverage.spatial |
United States |
|
dc.date.accessioned |
2022-06-10T04:33:51Z |
|
dc.date.available |
2022-06-10T04:33:51Z |
|
dc.date.issued |
2021-12-07 |
|
dc.identifier.citation |
(2021). Journal of Agricultural and Food Chemistry, 69(49), 15020-15035. |
|
dc.identifier.issn |
0021-8561 |
|
dc.identifier.uri |
https://hdl.handle.net/2292/59721 |
|
dc.description.abstract |
A new quantitative method based on static headspace-gas chromatography-ion mobility spectrometry (SHS-GC-IMS) is proposed, which enables the simultaneous quantitation of multiple aroma compounds in wine. The method was first evaluated for its stability and the necessity of using internal standards as a quality control measure. The two major hurdles in applying GC-IMS in quantitation studies, namely, nonlinearity and multiple ion species, were also investigated using the Boltzmann function and generalized additive model (GAM) as potential solutions. Metrics characterizing the model performance, including root mean squared error, bias, limit of detection, limit of quantitation, repeatability, reproducibility, and recovery, were investigated. Both nonlinear fitting methods, Boltzmann function and GAM, were able to return desirable analytical outcomes with an acceptable range of error. Potential pitfalls that would cause inaccurate quantitation, that is, effects of ethanol content and competitive ionization, were also discussed. The performance of the SHS-GC-IMS method was subsequently compared against that of a currently established method, namely, GC-MS, using commercial wine samples. These findings provide an initial validation of a GC-IMS-based quantitation method, as well as a starting point for further enhancing the analytical scope of GC-IMS. |
|
dc.format.medium |
Print-Electronic |
|
dc.language |
eng |
|
dc.publisher |
American Chemical Society (ACS) |
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dc.relation.ispartofseries |
Journal of agricultural and food chemistry |
|
dc.rights |
Items in ResearchSpace are protected by copyright, with all rights reserved, unless otherwise indicated. Previously published items are made available in accordance with the copyright policy of the publisher. |
|
dc.rights.uri |
https://researchspace.auckland.ac.nz/docs/uoa-docs/rights.htm |
|
dc.subject |
Reproducibility of Results |
|
dc.subject |
Wine |
|
dc.subject |
Gas Chromatography-Mass Spectrometry |
|
dc.subject |
Volatile Organic Compounds |
|
dc.subject |
Odorants |
|
dc.subject |
Ion Mobility Spectrometry |
|
dc.subject |
method comparison |
|
dc.subject |
method development and validation |
|
dc.subject |
quantitative analysis |
|
dc.subject |
static headspace-gas chromatography-ion mobility spectrometry (SHS-GC-IMS) |
|
dc.subject |
Science & Technology |
|
dc.subject |
Life Sciences & Biomedicine |
|
dc.subject |
Physical Sciences |
|
dc.subject |
Agriculture, Multidisciplinary |
|
dc.subject |
Chemistry, Applied |
|
dc.subject |
Food Science & Technology |
|
dc.subject |
Agriculture |
|
dc.subject |
Chemistry |
|
dc.subject |
SOLID-PHASE MICROEXTRACTION |
|
dc.subject |
HS-GC-IMS |
|
dc.subject |
PROTON AFFINITIES |
|
dc.subject |
RED WINE |
|
dc.subject |
MATRIX |
|
dc.subject |
QUANTIFICATION |
|
dc.subject |
OPTIMIZATION |
|
dc.subject |
AGREEMENT |
|
dc.subject |
RELEASE |
|
dc.subject |
SAMPLES |
|
dc.subject |
03 Chemical Sciences |
|
dc.subject |
07 Agricultural and Veterinary Sciences |
|
dc.subject |
09 Engineering |
|
dc.title |
Validation Study on the Simultaneous Quantitation of Multiple Wine Aroma Compounds with Static Headspace-Gas Chromatography-Ion Mobility Spectrometry. |
|
dc.type |
Journal Article |
|
dc.identifier.doi |
10.1021/acs.jafc.1c06411 |
|
pubs.issue |
49 |
|
pubs.begin-page |
15020 |
|
pubs.volume |
69 |
|
dc.date.updated |
2022-05-31T07:40:08Z |
|
dc.rights.holder |
Copyright: The author |
en |
dc.identifier.pmid |
34874158 (pubmed) |
|
pubs.author-url |
https://www.ncbi.nlm.nih.gov/pubmed/34874158 |
|
pubs.end-page |
15035 |
|
pubs.publication-status |
Published |
|
dc.rights.accessrights |
http://purl.org/eprint/accessRights/RestrictedAccess |
en |
pubs.subtype |
IM |
|
pubs.subtype |
Journal Article |
|
pubs.elements-id |
876449 |
|
pubs.org-id |
Science |
|
pubs.org-id |
Chemistry |
|
dc.identifier.eissn |
1520-5118 |
|
pubs.record-created-at-source-date |
2022-05-31 |
|
pubs.online-publication-date |
2021-12-07 |
|