Near infra-red spectroscopy quantitative modelling of bivalve protein, lipid and glycogen composition using single-species versus multi-species calibration and validation sets
Near infrared spectroscopy (NIRS) quantitative modelling was used to measure the protein, lipid and glycogen composition of five marine bivalve species (Saccostrea glomerata, Ostrea angasi, Crassostrea gigas, Mytilus galloprovincialis and Anadara trapezia) from multiple locations and seasons. Predic...
Published in: | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy |
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2018
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Online Access: | https://researchprofiles.canberra.edu.au/en/publications/0634dc54-7fb6-4c5a-b69c-87f4f2e3805b https://doi.org/10.1016/j.saa.2017.12.046 https://researchsystem.canberra.edu.au/ws/files/20457831/1_s2.0_S138614251731020X_main.pdf http://www.scopus.com/inward/record.url?scp=85039988965&partnerID=8YFLogxK http://www.mendeley.com/research/near-infrared-spectroscopy-quantitative-modelling-bivalve-protein-lipid-glycogen-composition-using-s |
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ftcanberrauncris:oai:pure.atira.dk:publications/0634dc54-7fb6-4c5a-b69c-87f4f2e3805b 2024-09-15T18:03:18+00:00 Near infra-red spectroscopy quantitative modelling of bivalve protein, lipid and glycogen composition using single-species versus multi-species calibration and validation sets Bartlett, Jill K. Maher, W.A. Purss, Matthew B.J. 2018 application/pdf https://researchprofiles.canberra.edu.au/en/publications/0634dc54-7fb6-4c5a-b69c-87f4f2e3805b https://doi.org/10.1016/j.saa.2017.12.046 https://researchsystem.canberra.edu.au/ws/files/20457831/1_s2.0_S138614251731020X_main.pdf http://www.scopus.com/inward/record.url?scp=85039988965&partnerID=8YFLogxK http://www.mendeley.com/research/near-infrared-spectroscopy-quantitative-modelling-bivalve-protein-lipid-glycogen-composition-using-s eng eng info:eu-repo/semantics/closedAccess Bartlett , J K , Maher , W A & Purss , M B J 2018 , ' Near infra-red spectroscopy quantitative modelling of bivalve protein, lipid and glycogen composition using single-species versus multi-species calibration and validation sets ' , Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , vol. 193 , pp. 537-557 . https://doi.org/10.1016/j.saa.2017.12.046 article 2018 ftcanberrauncris https://doi.org/10.1016/j.saa.2017.12.046 2024-07-31T23:33:29Z Near infrared spectroscopy (NIRS) quantitative modelling was used to measure the protein, lipid and glycogen composition of five marine bivalve species (Saccostrea glomerata, Ostrea angasi, Crassostrea gigas, Mytilus galloprovincialis and Anadara trapezia) from multiple locations and seasons. Predictive models were produced for each component using individual species and aggregated sample populations for the three oyster species (S. glomerata, O. angasi and C. gigas) and for all five bivalve species. Whole animal tissues were freeze dried, ground to > 20 μm and scanned by NIRS. Protein, lipid and glycogen composition were determined by traditional chemical analyses and calibration models developed to allow rapid NIRS-measurement of these components in the five bivalve species. Calibration modelling was performed using wavelet selection, genetic algorithms and partial least squares analysis. Model quality was assessed using RPIQ and RMESP. For protein composition, single species model results had RPIQ values between 2.4 and 3.5 and RMSEP between 8.6 and 18%, the three oyster model had an RPIQ of 2.6 and an RMSEP of 10.8% and the five bivalve species had an RPIQ of 3.6 and RMSEP of 8.7% respectively. For lipid composition, single species models achieved RPIQ values between 2.9 and 5.3 with RMSEP between 9.1 and 11.2%, the oyster model had an RPIQ of 3.6 and RMSEP of 6.8 and the five bivalve model had an RPIQ of 5.2 and RMSEP of 6.8% respectively. For glycogen composition, the single species models had RPIQs between 3.8 and 18.9 with RMSEP between 3.5 and 9.2%, the oyster model had an RPIQ of 5.5 and RMSEP of 7.1% and the five bivalve model had an RPIQ of 4 and RMSEP of 7.6% respectively. Comparison between individual species models and aggregated models for three oyster species and five bivalve species for each component indicate that aggregating data from like species produces high quality models with robust and reliable quantitative application. The benefit of aggregated multi-species models include a greater ... Article in Journal/Newspaper Crassostrea gigas University of Canberra Research Portal Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 193 537 557 |
institution |
Open Polar |
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University of Canberra Research Portal |
op_collection_id |
ftcanberrauncris |
language |
English |
description |
Near infrared spectroscopy (NIRS) quantitative modelling was used to measure the protein, lipid and glycogen composition of five marine bivalve species (Saccostrea glomerata, Ostrea angasi, Crassostrea gigas, Mytilus galloprovincialis and Anadara trapezia) from multiple locations and seasons. Predictive models were produced for each component using individual species and aggregated sample populations for the three oyster species (S. glomerata, O. angasi and C. gigas) and for all five bivalve species. Whole animal tissues were freeze dried, ground to > 20 μm and scanned by NIRS. Protein, lipid and glycogen composition were determined by traditional chemical analyses and calibration models developed to allow rapid NIRS-measurement of these components in the five bivalve species. Calibration modelling was performed using wavelet selection, genetic algorithms and partial least squares analysis. Model quality was assessed using RPIQ and RMESP. For protein composition, single species model results had RPIQ values between 2.4 and 3.5 and RMSEP between 8.6 and 18%, the three oyster model had an RPIQ of 2.6 and an RMSEP of 10.8% and the five bivalve species had an RPIQ of 3.6 and RMSEP of 8.7% respectively. For lipid composition, single species models achieved RPIQ values between 2.9 and 5.3 with RMSEP between 9.1 and 11.2%, the oyster model had an RPIQ of 3.6 and RMSEP of 6.8 and the five bivalve model had an RPIQ of 5.2 and RMSEP of 6.8% respectively. For glycogen composition, the single species models had RPIQs between 3.8 and 18.9 with RMSEP between 3.5 and 9.2%, the oyster model had an RPIQ of 5.5 and RMSEP of 7.1% and the five bivalve model had an RPIQ of 4 and RMSEP of 7.6% respectively. Comparison between individual species models and aggregated models for three oyster species and five bivalve species for each component indicate that aggregating data from like species produces high quality models with robust and reliable quantitative application. The benefit of aggregated multi-species models include a greater ... |
format |
Article in Journal/Newspaper |
author |
Bartlett, Jill K. Maher, W.A. Purss, Matthew B.J. |
spellingShingle |
Bartlett, Jill K. Maher, W.A. Purss, Matthew B.J. Near infra-red spectroscopy quantitative modelling of bivalve protein, lipid and glycogen composition using single-species versus multi-species calibration and validation sets |
author_facet |
Bartlett, Jill K. Maher, W.A. Purss, Matthew B.J. |
author_sort |
Bartlett, Jill K. |
title |
Near infra-red spectroscopy quantitative modelling of bivalve protein, lipid and glycogen composition using single-species versus multi-species calibration and validation sets |
title_short |
Near infra-red spectroscopy quantitative modelling of bivalve protein, lipid and glycogen composition using single-species versus multi-species calibration and validation sets |
title_full |
Near infra-red spectroscopy quantitative modelling of bivalve protein, lipid and glycogen composition using single-species versus multi-species calibration and validation sets |
title_fullStr |
Near infra-red spectroscopy quantitative modelling of bivalve protein, lipid and glycogen composition using single-species versus multi-species calibration and validation sets |
title_full_unstemmed |
Near infra-red spectroscopy quantitative modelling of bivalve protein, lipid and glycogen composition using single-species versus multi-species calibration and validation sets |
title_sort |
near infra-red spectroscopy quantitative modelling of bivalve protein, lipid and glycogen composition using single-species versus multi-species calibration and validation sets |
publishDate |
2018 |
url |
https://researchprofiles.canberra.edu.au/en/publications/0634dc54-7fb6-4c5a-b69c-87f4f2e3805b https://doi.org/10.1016/j.saa.2017.12.046 https://researchsystem.canberra.edu.au/ws/files/20457831/1_s2.0_S138614251731020X_main.pdf http://www.scopus.com/inward/record.url?scp=85039988965&partnerID=8YFLogxK http://www.mendeley.com/research/near-infrared-spectroscopy-quantitative-modelling-bivalve-protein-lipid-glycogen-composition-using-s |
genre |
Crassostrea gigas |
genre_facet |
Crassostrea gigas |
op_source |
Bartlett , J K , Maher , W A & Purss , M B J 2018 , ' Near infra-red spectroscopy quantitative modelling of bivalve protein, lipid and glycogen composition using single-species versus multi-species calibration and validation sets ' , Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , vol. 193 , pp. 537-557 . https://doi.org/10.1016/j.saa.2017.12.046 |
op_rights |
info:eu-repo/semantics/closedAccess |
op_doi |
https://doi.org/10.1016/j.saa.2017.12.046 |
container_title |
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy |
container_volume |
193 |
container_start_page |
537 |
op_container_end_page |
557 |
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1810440817228120064 |