Quantitative analysis of NaCl, NaOH, and β-phenylethylamine in water using ultraviolet spectroscopy coupled with partial least squares and net analyte preprocessing
During the quantitative analysis of NaCl, NaOH, and β-phenylethylamine (PEA) in water samples, the highly overlapped spectra of NaCl, NaOH, and PEA resulted in poor concentration prediction. Meanwhile, the original spectral data of the natural water usually contain noise and interference spectra w...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Penerbit Universiti Kebangsaan Malaysia
2020
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| Online Access: | http://journalarticle.ukm.my/15773/ http://journalarticle.ukm.my/15773/1/2.pdf |
| _version_ | 1848813880592039936 |
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| author | Tang, Xiaojun Tang Tong, Angxin Tong Zhang, Feng Wang, Bin |
| author_facet | Tang, Xiaojun Tang Tong, Angxin Tong Zhang, Feng Wang, Bin |
| author_sort | Tang, Xiaojun Tang |
| building | UKM Institutional Repository |
| collection | Online Access |
| description | During the quantitative analysis of NaCl, NaOH, and β-phenylethylamine (PEA) in water samples, the highly
overlapped spectra of NaCl, NaOH, and PEA resulted in poor concentration prediction. Meanwhile, the original spectral
data of the natural water usually contain noise and interference spectra which will definitely affect the prediction
accuracy. Hence, a new quantitative analysis method, which was based on ultraviolet (UV) spectroscopy coupled with
partial least squares (PLS) and net analyte preprocessing (NAP), was developed. Firstly, the PLS regression models of
the calibration set were constructed by using 15 single component samples, 9 binary component samples and 25
ternary component samples. In addition, the independent test set was built up based on 34 samples to validate the
prediction performance of the PLS regression models. The relative errors of prediction (REP) were both less than 3.1%
for NaCl, NaOH, and PEA. And the correlation coefficients (Rpred
2
) of the PLS-1 and PLS-2 models were both not less
than 0.98 for NaCl, NaOH, and PEA. Finally, the PLS models coupled with NAP algorithm were successfully used to
make the quantitative determination of NaCl, NaOH, and PEA added into the natural water, and the mean recovery
rates of NaCl, NaOH, and PEA were satisfactory (95-102%). Therefore, UV spectroscopy coupled with PLS models and
NAP algorithm can be considered as an effective method to determine the concentration of NaCl, NaOH and PEA in the
natural water |
| first_indexed | 2025-11-15T00:25:13Z |
| format | Article |
| id | oai:generic.eprints.org:15773 |
| institution | Universiti Kebangasaan Malaysia |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-15T00:25:13Z |
| publishDate | 2020 |
| publisher | Penerbit Universiti Kebangsaan Malaysia |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | oai:generic.eprints.org:157732020-11-20T17:13:04Z http://journalarticle.ukm.my/15773/ Quantitative analysis of NaCl, NaOH, and β-phenylethylamine in water using ultraviolet spectroscopy coupled with partial least squares and net analyte preprocessing Tang, Xiaojun Tang Tong, Angxin Tong Zhang, Feng Wang, Bin During the quantitative analysis of NaCl, NaOH, and β-phenylethylamine (PEA) in water samples, the highly overlapped spectra of NaCl, NaOH, and PEA resulted in poor concentration prediction. Meanwhile, the original spectral data of the natural water usually contain noise and interference spectra which will definitely affect the prediction accuracy. Hence, a new quantitative analysis method, which was based on ultraviolet (UV) spectroscopy coupled with partial least squares (PLS) and net analyte preprocessing (NAP), was developed. Firstly, the PLS regression models of the calibration set were constructed by using 15 single component samples, 9 binary component samples and 25 ternary component samples. In addition, the independent test set was built up based on 34 samples to validate the prediction performance of the PLS regression models. The relative errors of prediction (REP) were both less than 3.1% for NaCl, NaOH, and PEA. And the correlation coefficients (Rpred 2 ) of the PLS-1 and PLS-2 models were both not less than 0.98 for NaCl, NaOH, and PEA. Finally, the PLS models coupled with NAP algorithm were successfully used to make the quantitative determination of NaCl, NaOH, and PEA added into the natural water, and the mean recovery rates of NaCl, NaOH, and PEA were satisfactory (95-102%). Therefore, UV spectroscopy coupled with PLS models and NAP algorithm can be considered as an effective method to determine the concentration of NaCl, NaOH and PEA in the natural water Penerbit Universiti Kebangsaan Malaysia 2020-08 Article PeerReviewed application/pdf en http://journalarticle.ukm.my/15773/1/2.pdf Tang, Xiaojun Tang and Tong, Angxin Tong and Zhang, Feng and Wang, Bin (2020) Quantitative analysis of NaCl, NaOH, and β-phenylethylamine in water using ultraviolet spectroscopy coupled with partial least squares and net analyte preprocessing. Sains Malaysiana, 49 (8). pp. 1773-1785. ISSN 0126-6039 http://www.ukm.my/jsm/malay_journals/jilid49bil8_2020/KandunganJilid49Bil8_2020.html |
| spellingShingle | Tang, Xiaojun Tang Tong, Angxin Tong Zhang, Feng Wang, Bin Quantitative analysis of NaCl, NaOH, and β-phenylethylamine in water using ultraviolet spectroscopy coupled with partial least squares and net analyte preprocessing |
| title | Quantitative analysis of NaCl, NaOH, and β-phenylethylamine in water using ultraviolet spectroscopy coupled with partial least squares and net analyte preprocessing |
| title_full | Quantitative analysis of NaCl, NaOH, and β-phenylethylamine in water using ultraviolet spectroscopy coupled with partial least squares and net analyte preprocessing |
| title_fullStr | Quantitative analysis of NaCl, NaOH, and β-phenylethylamine in water using ultraviolet spectroscopy coupled with partial least squares and net analyte preprocessing |
| title_full_unstemmed | Quantitative analysis of NaCl, NaOH, and β-phenylethylamine in water using ultraviolet spectroscopy coupled with partial least squares and net analyte preprocessing |
| title_short | Quantitative analysis of NaCl, NaOH, and β-phenylethylamine in water using ultraviolet spectroscopy coupled with partial least squares and net analyte preprocessing |
| title_sort | quantitative analysis of nacl, naoh, and β-phenylethylamine in water using ultraviolet spectroscopy coupled with partial least squares and net analyte preprocessing |
| url | http://journalarticle.ukm.my/15773/ http://journalarticle.ukm.my/15773/ http://journalarticle.ukm.my/15773/1/2.pdf |