PMID- 28783586
OWN - NLM
STAT- MEDLINE
DCOM- 20180810
LR  - 20180810
IS  - 1873-3557 (Electronic)
IS  - 1386-1425 (Linking)
VI  - 189
DP  - 2018 Jan 15
TI  - Dynamic surface-enhanced Raman spectroscopy and Chemometric methods for fast 
      detection and intelligent identification of methamphetamine and 3, 
      4-Methylenedioxy methamphetamine in human urine.
PG  - 1-7
LID - S1386-1425(17)30634-0 [pii]
LID - 10.1016/j.saa.2017.08.004 [doi]
AB  - Conventional Surface-Enhanced Raman Spectroscopy (SERS) for fast detection of 
      drugs in urine on the portable Raman spectrometer remains challenges because of 
      low sensitivity and unreliable Raman signal, and spectra process with manual 
      intervention. Here, we develop a novel detection method of drugs in urine using 
      chemometric methods and dynamic SERS (D-SERS) with mPEG-SH coated gold nanorods 
      (GNRs). D-SERS combined with the uniform GNRs can obtain giant enhancement, and 
      the signal is also of high reproducibility. On the basis of the above advantages, 
      we obtained the spectra of urine, urine with methamphetamine (MAMP), urine with 
      3, 4-Methylenedioxy Methamphetamine (MDMA) using D-SERS. Simultaneously, some 
      chemometric methods were introduced for the intelligent and automatic analysis of 
      spectra. Firstly, the spectra at the critical state were selected through using 
      K-means. Then, the spectra were proposed by random forest (RF) with feature 
      selection and principal component analysis (PCA) to develop the recognition 
      model. And the identification accuracy of model were 100%, 98.7% and 96.7%, 
      respectively. To validate the effect in practical issue further, the drug 
      abusers'urine samples with 0.4, 3, 30ppm MAMP were detected using D-SERS and 
      identified by the classification model. The high recognition accuracy of >92.0% 
      can meet the demand of practical application. Additionally, the parameter 
      optimization of RF classification model was simple. Compared with the general 
      laboratory method, the detection process of urine's spectra using D-SERS only 
      need 2 mins and 2muL samples volume, and the identification of spectra based on 
      chemometric methods can be finish in seconds. It is verified that the proposed 
      approach can provide the accurate, convenient and rapid detection of drugs in 
      urine.
CI  - Copyright (c) 2017 Elsevier B.V. All rights reserved.
FAU - Weng, Shizhuang
AU  - Weng S
AD  - Anhui Engineering Laboratory of Agro-Ecological Big Data, Anhui University, Hefei 
      230601, China. Electronic address: weng1989@mail.ustc.edu.cn.
FAU - Dong, Ronglu
AU  - Dong R
AD  - Hefei Institute of Physical Science, Chinese Academy of Sciences, Hefei, 
      230031,China.
FAU - Zhu, Zede
AU  - Zhu Z
AD  - Hefei Institute of Physical Science, Chinese Academy of Sciences, Hefei, 
      230031,China.
FAU - Zhang, Dongyan
AU  - Zhang D
AD  - Anhui Engineering Laboratory of Agro-Ecological Big Data, Anhui University, Hefei 
      230601, China.
FAU - Zhao, Jinling
AU  - Zhao J
AD  - Anhui Engineering Laboratory of Agro-Ecological Big Data, Anhui University, Hefei 
      230601, China.
FAU - Huang, Linsheng
AU  - Huang L
AD  - Anhui Engineering Laboratory of Agro-Ecological Big Data, Anhui University, Hefei 
      230601, China.
FAU - Liang, Dong
AU  - Liang D
AD  - Anhui Engineering Laboratory of Agro-Ecological Big Data, Anhui University, Hefei 
      230601, China. Electronic address: dliang@ahu.edu.cn.
LA  - eng
PT  - Journal Article
DEP - 20170802
PL  - England
TA  - Spectrochim Acta A Mol Biomol Spectrosc
JT  - Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
JID - 9602533
RN  - 44RAL3456C (Methamphetamine)
RN  - KE1SEN21RM (N-Methyl-3,4-methylenedioxyamphetamine)
SB  - IM
MH  - Humans
MH  - Methamphetamine/*urine
MH  - N-Methyl-3,4-methylenedioxyamphetamine/*urine
MH  - Principal Component Analysis
MH  - Spectrophotometry, Ultraviolet
MH  - Spectroscopy, Near-Infrared
MH  - Spectrum Analysis, Raman/*methods
MH  - Substance-Related Disorders/urine
MH  - Support Vector Machine
OTO - NOTNLM
OT  - 3
OT  - 4-methylenedioxy methamphetamine
OT  - Chemometric methods
OT  - Dynamic surface-enhanced Raman spectroscopy
OT  - Fast identification
OT  - Methamphetamine
EDAT- 2017/08/08 06:00
MHDA- 2018/08/11 06:00
CRDT- 2017/08/08 06:00
PHST- 2016/12/09 00:00 [received]
PHST- 2017/05/23 00:00 [revised]
PHST- 2017/08/01 00:00 [accepted]
PHST- 2017/08/08 06:00 [pubmed]
PHST- 2018/08/11 06:00 [medline]
PHST- 2017/08/08 06:00 [entrez]
AID - S1386-1425(17)30634-0 [pii]
AID - 10.1016/j.saa.2017.08.004 [doi]
PST - ppublish
SO  - Spectrochim Acta A Mol Biomol Spectrosc. 2018 Jan 15;189:1-7. doi: 
      10.1016/j.saa.2017.08.004. Epub 2017 Aug 2.