Computer Simulation Design, Preparation and Application of Fluorescence Sensors Based on Quantum Dots for Selective Detection of 4-Nitrophenol in River Water†

doi:10.7503/cjcu20160783

Abstract

Abstract:

To fabricate a fluorescent sensor,molecularly imprinted polymers(MIPs) with 4-nitrophenol(4-NP) as the template molecule were prepared on the surface of as-synthesized hybrid SiO₂-coated CdTe(HS-QD) by combining molecular dynamics simulations with surface imprinting technique. The sensor was characterized by several methods in terms of structure, morphology, fluorescence properties and selectivity. The sensor has a higher sensitivity as well as good selectivity. The relative fluorescence intensity of HS-QD@MIP decreased linearly with the increasing concentration of 4-NP in the range of 1.0—80 nmol/mL with a detection limit of 0.05 nmol/mL. The method was also employed to detect 4-NP in the river water samples with satisfactory recoveries of 98.6%—101.2%, and the relative standard deviation was 1.37%.

Key words: 4-Nitrophenol, Fluorescence probe, Molecular imprinting, Quantum dot, Computer simulation

CLC Number:

TrendMD:

XU Wanzhen, QIU Chunxiao, HUANG Weihong, LIU Hong, YANG Wenming. Computer Simulation Design, Preparation and Application of Fluorescence Sensors Based on Quantum Dots for Selective Detection of 4-Nitrophenol in River Water^†[J]. Chem. J. Chinese Universities, 2017, 38(7): 1155.

Figures/Tables 13

Fig.1 Atoms studied using radial distribution functions(RDFs)

Table 1 Composition of MIP prepolymerization mixtures in the molecular dynamic simulations

Simulations	4-NP	APTES	TEOS
MD1	10	20	20
MD2	10	20	40
MD3	10	20	60
MD4	10	20	80
MD5	10	20	100

Fig.2 RDFs of PO1-AN(A), PO1-AH(B) and PO2-AH(C)

Fig.3 UV spectra of five sets of ethanol solutions containing 4-NP, APTES and TEOS

Fig.4 Binding percentage(B) and imprinting factor (IF) of five sets of imprinted polymers

Scheme 1 Schematic illustration for the fabrication of HS-QD@MIP

Fig.5 Fluorescence spectra of CdTe and HS-QD at different reflux time

Fig.6 FTIR spectra of HS-QD(a) and HS-QD@MIP(b)

Fig.7 TEM images of HS-QD@MIP under low(A) and high(B) resolution

Fig.8 Effect of pH values on luminescence of HS-QD@MIP

Fig.9 Fluorescence emission spectra of HS-QD@MIP with indicated concentrations of 4-NP solution(A) and

Fig.10 Recognition of 4-NP imprinted polymers

Table 2 Recoveries of 4-NP in river water samples

Sample No.	Added/(μmol ·L^-1)	Found/(μmol ·L^-1)	Recovery(%, n=3)	RSD(%, n=3)
1	5	4.93	98.60	1.33
	5	4.98	99.60
	5	5.06	101.20
2	25	24.83	99.32	0.24
	25	24.91	99.64
	25	24.90	99.60
3	40	40.92	102.30	1.37
	40	40.25	100.62
	40	39.82	99.55
4	75	74.98	99.97	0.12
	75	74.81	99.75
	75	74.96	99.94

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