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Sains Malaysiana 49(8)(2020): 1773-1785
http://dx.doi.org/10.17576/jsm-2020-4908-02
Quantitative Analysis of NaCl, NaOH, and β-phenylethylamine in Water using Ultraviolet Spectroscopy coupled with Partial Least Squares and
Net Analyte Preprocessing
(Analisis Kuantitatif NaCl, NaOH dan β-feniletilamina dalam Air menggunakan Spektroskopi Ultraungu Berganding dengan Kuasa Dua Terkecil Separa dan Prapemprosesan Analit Net)
XIAOJUN
TANG, ANGXIN TONG*, FENG ZHANG & BIN WANG
State
Key Laboratory of Electrical Insulation & Power Equipment, Xi’an Jiaotong University, No. 28 Xianning West Road, Xi’an, Shaanxi
710049, China
Received: 29 November 2019/Accepted:
1 April 2020
ABSTRACT
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 (Rpred2)
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.
Keywords: Interference spectra; natural water; net analyte preprocessing;
partial least squares; ultraviolet spectroscopy
ABSTRAK
Semasa analisis kuantitatif NaCl, NaOH dan β-feniletilamina (PEA) dalam sampel air, spektrum NaCl, NaOH dan PEA yang sangat bertindih mengakibatkan ramalan kepekatan yang buruk. Sementara itu, data spektrum asal air semula jadi biasanya mengandungi spektrum hingar dan gangguan yang pasti akan mempengaruhi ketepatan ramalan. Oleh itu, kaedah analisis kuantitatif baru berdasarkan spektroskopi ultraungu (UV) yang berganding dengan kuasa dua terkecil separa (PLS) dan prapemprosesan analit net (NAP) telah dibentuk. Yang pertama, model regresi PLS daripada set penentukuran dihasilkan dengan menggunakan 15 sampel komponen tunggal, 9 sampel komponen dedua dan 25 sampel komponen terner. Tambahan pula, set ujian bersandar dibina berdasarkan 34 sampel untuk mengesahkan prestasi ramalan model regresi PLS. Ralat ramalan relatif (REP) adalah kurang daripada 3.1% bagi NaCl, NaOH dan PEA. Dan pekali korelasi(Rpred2) kedua-dua model PLS-1 dan PLS-2 tidak kurang daripada 0.98 bagi NaCl, NaOH dan PEA. Akhirnya, model PLS berganding dengan algoritma NAP berjaya digunakan untuk membuat penentuan kuantitatif NaCl, NaOH dan PEA yang ditambahkan ke dalam air semula jadi dan kadar pemulihan min NaCl, NaOH dan PEA adalah memuaskan (95-102%). Oleh itu, spektroskopi UV yang berganding dengan model PLS dan algoritma NAP dapat dianggap sebagai kaedah yang berkesan untuk menentukan kepekatan NaCl, NaOH dan PEA dalam air semula jadi.
Kata kunci:
Air semula jadi; kuasa dua terkecil separa; prapemprosesan analit net; spektrum gangguan; spektroskopi ultraungu
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*Corresponding
author; email: tongangxin@stu.xjtu.edu.cn
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