基于荧光分析法和APTLD相结合的多环芳烃的检测
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摘要
为准确进行浓度检测,用Savitzky-Golay(SG)多项式曲面平滑法去除三维荧光光谱数据的冗余信息,分别采用平行因子法(PARAFAC)算法和交替惩罚三线性分解(APTLD)算法对光谱数据进行分解。设计多环芳烃类污染物的检测实验,分析了芴(FLU)、苊(ANA)及两者混合溶液的荧光光谱特性。FLU溶液在λ_(ex)/λ_(em)=302/322 nm处存在一个明显的荧光峰,并且存在连续侧峰。ANA溶液存在两个荧光峰,分别为λ_(ex)/λ_(em)=290/322 nm和λ_(ex)/λ_(em)=290/336 nm。在激发波长200～370 nm扫描范围和发射波长240～390 nm扫描范围内,FLU和ANA荧光光谱重叠严重。结果表明,两种算法均能分辨出FLU和ANA,并取得了很高的回收率,但APTLD算法的检测效果更好。
In order to detect the concentration accurately, Savitzky-Golay polynomial smoothing method is proposed to remove the redundant information of the three-dimensional fluorescence spectral data. The parallel factor analysis(PARAFAC) and alternating penalty trilinear decomposition(APTLD) are respectively adopted to decompose the spectrum data. The detection experiment of polycyclic aromatic hydrocarbons is designed in this paper. Fluorescence spectrum properties of ANA, NAP and their mixture are analyzed. We found that the main characteristic florescence peak of FLU exists in λ_(ex)/λ_(em)=302/322 nm, and there is a continuous side peaks. The two characteristic florescence peaks which exist in ANA are λ_(ex)/λ_(em)=290/322 nm and λ_(ex)/λ_(em)=290/336 nm. When the excitation wavelength is 200～370 nm and the emission wavelength is 240～390 nm, the fluorescence spectra of FLU and ANA overlap seriously.The experimental results show that both algorithms can all distinguish FLU and ANA, both of them have a high average recovery rate. However, the APTLD algorithm has a better detection result.
In order to detect the concentration accurately, Savitzky-Golay polynomial smoothing method is proposed to remove the redundant information of the three-dimensional fluorescence spectral data. The parallel factor analysis(PARAFAC) and alternating penalty trilinear decomposition(APTLD) are respectively adopted to decompose the spectrum data. The detection experiment of polycyclic aromatic hydrocarbons is designed in this paper. Fluorescence spectrum properties of ANA, NAP and their mixture are analyzed. We found that the main characteristic florescence peak of FLU exists in λ_(ex)/λ_(em)=302/322 nm, and there is a continuous side peaks. The two characteristic florescence peaks which exist in ANA are λ_(ex)/λ_(em)=290/322 nm and λ_(ex)/λ_(em)=290/336 nm. When the excitation wavelength is 200～370 nm and the emission wavelength is 240～390 nm, the fluorescence spectra of FLU and ANA overlap seriously.The experimental results show that both algorithms can all distinguish FLU and ANA, both of them have a high average recovery rate. However, the APTLD algorithm has a better detection result.
引文
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[10] 蔡晴,吴海龙,李元娜,等. 三维荧光二阶校正法同时测定水果样中α-萘乙酸和吲哚-3-乙酸 [J]. 化学通报, 2011,74(1):47-53. CAI Q,WU H L,LI Y N,et al.. Rapid determination of α-naphthylacetic acid and indole-3-acetic acid in fruits extract by using three-dimensional fluorescence coupled with second-order calibration method [J]. Chemistry, 2011,74(1):47-53. (in Chinese)
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[2] 马小惠,张杰,鲁英. 环境样品中多环芳烃分析预处理的研究进展 [J]. 中国民族民间医药, 2015(9):24-25. MA X X,ZHANG J,LU Y. Progress on sample pretreatment techniques for polycyclic aromatic hydrocarbons in environmental matrix [J]. Chin. J. Ethnomed. Ethnopharm., 2015(9):24-25. (in Chinese)
[3] ALVES C A,VICENTE A M,CUSTóDIO D,et al.. Polycyclic aromatic hydrocarbons and their derivatives (nitro-PAHs,oxygenated PAHs,and azaarenes) in PM2.5 from Southern European cities [J]. Sci. Total Environ., 2017,595:494-504.
[4] LENHARDT L,ZEKOVI.. Characterization of cereal flours by fluorescence spectroscopy coupled with PARAFAC [J]. Food Chem., 2017,229:165-171.
[5] 杨仁杰,董桂梅,杨延荣,等. 土壤粒径大小对蒽荧光特性的影响及校正 [J]. 光学精密工程, 2016,24(11):2665-2671. YANG R J,DONG G M,YANG Y R,et al.. Effect of soil particle size on fluorescence characteristics of anthracene and its correction [J]. Opt. Precision Eng., 2016,24(11):2665-2671. (in Chinese)
[6] PELEATO N M,SIDHU B S,LEGGE R L,et al.. Investigation of ozone and peroxone impacts on natural organic matter character and biofiltration performance using fluorescence spectroscopy [J]. Chemosphere, 2017,172:225-233.
[7] 杜树新,杜阳锋,武晓莉. 基于Savizky-Golay多项式的三维荧光光谱的曲面平滑方法 [J]. 光谱学与光谱分析, 2011,31(2):440-443. DU S X,DU Y F,WU X L.The surface smoothing methods for three-dimensional fluorescence spectrometry based on Savitzky-Golay polynomial smoothing [J]. Spectrosc. Spect. Anal., 2011,31(2):440-443. (in Chinese)
[8] 吴海龙,方冬梅,丁玉洁,等. 荧光二阶校正法用于氟喹诺酮类药物定量分析 [J]. 湖南大学学报(自然科学版), 2005,32(3):6-9. WU H L,FANG D M,DING Y J,et al.. Determination of fluoroquinolones by using matrix fluorescence spectrum coupled with second-order calibration algorithm [J]. J. Hunan Univ. Nat. Sci., 2005,32(3):6-9. (in Chinese)
[9] VERA M,CRUZ S,BOLEDA M R,et al.. Fluorescence spectroscopy and parallel factor analysis as a dissolved organic monitoring tool to assess treatment performance in drinking water trains [J]. Sci. Total Environ., 2017,584-585:1212-1220.
[10] 蔡晴,吴海龙,李元娜,等. 三维荧光二阶校正法同时测定水果样中α-萘乙酸和吲哚-3-乙酸 [J]. 化学通报, 2011,74(1):47-53. CAI Q,WU H L,LI Y N,et al.. Rapid determination of α-naphthylacetic acid and indole-3-acetic acid in fruits extract by using three-dimensional fluorescence coupled with second-order calibration method [J]. Chemistry, 2011,74(1):47-53. (in Chinese)
[11] 程朋飞,王玉田,陈至坤,等. 基于自加权交替三线性分解的荧光检测油类污染物 [J]. 光谱学与光谱分析, 2016,36(7):2162-2168. CHENG P F,WANG Y T,CHEN Z K,et al.. The fluorescence detection of oil pollutants based on self-weighted alternating trilinear decomposition [J]. Spectrosc. Spect. Anal., 2016,36(7):2162-2168. (in Chinese)
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