Simultaneous determination of three antibiotics based on synchronous fluorescence combined with neural network
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摘要: 为了更快速、简便、准确地同时测定多种抗生素混合物，采用同步荧光光谱结合径向基神经网络的方法，对3种氟喹诺酮类抗生素（乳酸环丙沙星、乳酸左氧氟沙星、盐酸左氧氟沙星）的同步荧光光谱进行研究。选择3组分浓度均为1.67ng/mL的混合溶液，测量其3维同步荧光光谱；分别测量39种不同浓度的混合溶液样本的同步荧光光谱；选取其中35种作为训练组，其余4种作为预测组，将训练组样本对应的光谱数据作为输入，建立和训练径向基神经网络；在发射波长与激发波长的差Δλ=194nm条件下，利用训练好的神经网络对预测组中各组分的浓度进行预测，得到3种组分浓度预测的平均相对误差分别达到3.59%，3.47%，3.09%。结果表明，当Δλ设定为194nm时，3种抗生素的同步荧光峰差异最为明显、区分度高，该方法能实现对3种抗生素混合物中各组分的同时测定。这为多种抗生素混合物同时测定提供了一种快速、简便、准确的方法。Abstract: In order to determine the antibiotic mixture more quickly, conveniently and accurately at the same time, synchronous fluorescence spectra of 3 kinds of fluoroquinolones (ciprofloxacin, levofloxacin lactate, levofloxacin hydrochloride) were studied based on synchronous fluorescence spectroscopy combined with radial basis function neural network. The 3-D synchronous fluorescence spectrum for the 3-component mixed solution with concentration of 1.67ng/mL was measured. Then, simultaneous fluorescence spectra of 39 mixed solutions with different concentrations were measured. 35 of them were selected as the training group, and the other 4 were used as the prediction group. The spectral data corresponding to the training samples were taken as input to build and train the radial basis function neural network. The results show that, when Δλ=194nm, the concentration of each component in the prediction group is predicted by the trained neural network. The average relative errors of intensity prediction of 3 components were 3.59%, 3.47% and 3.09%, respectively. The method provides rapid, simple and accurate method for simultaneous determination of multiple antibiotic mixtures.
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Figure 1. Molecular structures of the three antibiotics
a—ciprofloxacin lactate b—levofloxacin lactate c—levofloxacin hydrochloride
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Figure 2. 3-D fluorescence spectra of the three antibiotics
a—ciprofloxacin lactate b—levofloxacin lactate c—levofloxacin hydrochloride
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Figure 3. Conventional fluorescence spectra of the mixed solutions with different concentrations
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Figure 5. Synchronous fluorescence spectra of the three antibiotics
a—ciprofloxacin lactate b—levofloxacin lactate c—levofloxacin hydrochloride
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Figure 6. Synchronous fluorescence spectra of the mixed solution measured with different Δλ
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Figure 7. Synchronous fluorescence spectra of mixed solutionswith different concentrations
Table 1 Concentration prediction based on conventional fluorescence spectra
No. ciprofloxacin lactate levofloxacin lactate levofloxacin hydrochloride AC/
(ng·mL-1)PC/
(ng·mL-1)PE/% AC/
(ng·mL-1)PC/
(ng·mL-1)PE/% AC/
(ng·mL-1)PC/
(ng·mL-1)PE/% 1 31.7 29.5 6.94 316.7 312.3 1.39 31.7 33.6 5.99 2 18.3 17.9 2.18 100.0 69.7 30.3 26.7 21.9 17.97 3 25.0 27.3 9.20 133.3 139.2 4.42 3.3 4.1 24.24 4 6.7 6.8 1.49 200.0 194.1 2.95 23.3 22.5 3.43 average 4.95 9.76 12.90 
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Table 2 Concentrationprediction based on synchronous fluorescence spectra
No. ciprofloxacin lactate levofloxacin lactate levofloxacin hydrochloride AC/
(ng·mL-1)PC/
(ng·mL-1)PE/% AC/
(ng·mL-1)PC/
(ng·mL-1)PE/% AC/
(ng·mL-1)PC/
(ng·mL-1)PE/% 1 31.7 30.7 3.15 316.7 290.5 8.27 31.7 29.5 6.94 2 18.3 18.2 0.54 100.0 99.2 0.80 26.7 27.0 1.12 3 25.0 27.3 9.20 133.3 130.1 2.40 3.3 3.4 3.03 4 6.7 6.6 1.49 200.0 195.2 2.40 23.3 23.6 1.29 average 3.59 3.47 3.09
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