Determination of persimmon leaf chloride contents using near-infrared spectroscopy (NIRS)
Early diagnosis of specific chloride toxicity in persimmon trees requires the reliable and fast determination of the leaf chloride content, which is usually performed by means of a cumbersome, expensive and time-consuming wet analysis. A methodology has been developed in this study as an alternative...
| Autores principales: | , , , |
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| Formato: | publishedVersion |
| Lenguaje: | Inglés |
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Springer Verlag
2020
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| Materias: | |
| Acceso en línea: | http://hdl.handle.net/20.500.11939/6587 https://link.springer.com/article/10.1007%2Fs00216-016-9430-2 |
| _version_ | 1855032453539823616 |
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| author | De-Paz, José M. Visconti, Fernando Chiaravalle, Mara Quinones, Ana |
| author_browse | Chiaravalle, Mara De-Paz, José M. Quinones, Ana Visconti, Fernando |
| author_facet | De-Paz, José M. Visconti, Fernando Chiaravalle, Mara Quinones, Ana |
| author_sort | De-Paz, José M. |
| collection | ReDivia |
| description | Early diagnosis of specific chloride toxicity in persimmon trees requires the reliable and fast determination of the leaf chloride content, which is usually performed by means of a cumbersome, expensive and time-consuming wet analysis. A methodology has been developed in this study as an alternative to determine chloride in persimmon leaves using near-infrared spectroscopy (NIRS) in combination with multivariate calibration techniques. Based on a training dataset of 134 samples, a predictive model was developed from their NIR spectral data. For modelling, the partial least squares regression (PLSR) method was used. The best model was obtained with the first derivative of the apparent absorbance and using just 10 latent components. In the subsequent external validation carried out with 35 external data this model reached r 2 = 0.93, RMSE = 0.16 % and RPD = 3.6, with standard error of 0.026 % and bias of −0.05 %. From these results, the model based on NIR spectral readings can be used for speeding up the laboratory determination of chloride in persimmon leaves with only a modest loss of precision. The intermolecular interaction between chloride ions and the peptide bonds in leaf proteins through hydrogen bonding, i.e. N–H···Cl, explains the ability for chloride determinations on the basis of NIR spectra. |
| format | publishedVersion |
| id | ReDivia6587 |
| institution | Instituto Valenciano de Investigaciones Agrarias (IVIA) |
| language | Inglés |
| publishDate | 2020 |
| publishDateRange | 2020 |
| publishDateSort | 2020 |
| publisher | Springer Verlag |
| publisherStr | Springer Verlag |
| record_format | dspace |
| spelling | ReDivia65872025-04-25T14:47:25Z Determination of persimmon leaf chloride contents using near-infrared spectroscopy (NIRS) De-Paz, José M. Visconti, Fernando Chiaravalle, Mara Quinones, Ana Chemometrics/statistics N01 Agricultural engineering Chlorides Agriculture NIR spectroscopy Early diagnosis of specific chloride toxicity in persimmon trees requires the reliable and fast determination of the leaf chloride content, which is usually performed by means of a cumbersome, expensive and time-consuming wet analysis. A methodology has been developed in this study as an alternative to determine chloride in persimmon leaves using near-infrared spectroscopy (NIRS) in combination with multivariate calibration techniques. Based on a training dataset of 134 samples, a predictive model was developed from their NIR spectral data. For modelling, the partial least squares regression (PLSR) method was used. The best model was obtained with the first derivative of the apparent absorbance and using just 10 latent components. In the subsequent external validation carried out with 35 external data this model reached r 2 = 0.93, RMSE = 0.16 % and RPD = 3.6, with standard error of 0.026 % and bias of −0.05 %. From these results, the model based on NIR spectral readings can be used for speeding up the laboratory determination of chloride in persimmon leaves with only a modest loss of precision. The intermolecular interaction between chloride ions and the peptide bonds in leaf proteins through hydrogen bonding, i.e. N–H···Cl, explains the ability for chloride determinations on the basis of NIR spectra. 2020-09-02T08:37:06Z 2020-09-02T08:37:06Z 2016 publishedVersion de Paz, J. M., Visconti, F., Chiaravalle, M., & Quiñones, A. (2016). Determination of persimmon leaf chloride contents using near-infrared spectroscopy (NIRS). Analytical and Bioanalytical Chemistry, 408(13), 3537-3545. 1618-2642 http://hdl.handle.net/20.500.11939/6587 10.1007/s00216-016-9430-2 https://link.springer.com/article/10.1007%2Fs00216-016-9430-2 en Atribución-NoComercial-SinDerivadas 3.0 España http://creativecommons.org/licenses/by-nc-nd/3.0/es/ closedAccess Springer Verlag electronico |
| spellingShingle | Chemometrics/statistics N01 Agricultural engineering Chlorides Agriculture NIR spectroscopy De-Paz, José M. Visconti, Fernando Chiaravalle, Mara Quinones, Ana Determination of persimmon leaf chloride contents using near-infrared spectroscopy (NIRS) |
| title | Determination of persimmon leaf chloride contents using near-infrared spectroscopy (NIRS) |
| title_full | Determination of persimmon leaf chloride contents using near-infrared spectroscopy (NIRS) |
| title_fullStr | Determination of persimmon leaf chloride contents using near-infrared spectroscopy (NIRS) |
| title_full_unstemmed | Determination of persimmon leaf chloride contents using near-infrared spectroscopy (NIRS) |
| title_short | Determination of persimmon leaf chloride contents using near-infrared spectroscopy (NIRS) |
| title_sort | determination of persimmon leaf chloride contents using near infrared spectroscopy nirs |
| topic | Chemometrics/statistics N01 Agricultural engineering Chlorides Agriculture NIR spectroscopy |
| url | http://hdl.handle.net/20.500.11939/6587 https://link.springer.com/article/10.1007%2Fs00216-016-9430-2 |
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