Surface‐enhanced Raman spectroscopy, Raman, and density functional theoretical analyses of fentanyl and six analogs

2019 ◽  
Vol 50 (10) ◽  
pp. 1405-1415 ◽  
Author(s):  
Ling Wang ◽  
Chiara Deriu ◽  
Wensong Wu ◽  
Alexander M. Mebel ◽  
Bruce McCord
Keyword(s):  
Raman Spectroscopy ◽  
Density Functional ◽  
Surface Enhanced Raman Spectroscopy ◽  
Surface Enhanced ◽  
Surface Enhanced Raman ◽  
Theoretical Analyses

scholarly journals Detection of Alternative Drugs for Illegal Injection Based on Surface-Enhanced Raman Spectroscopy

2019 ◽  
Vol 2019 ◽  
pp. 1-5
Author(s):  
Lin Bao ◽  
Siqingaowa Han ◽  
Xuanyu Sha ◽  
Hang Zhao ◽  
Yuping Liu ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Density Functional ◽  
Surface Enhanced Raman Spectroscopy ◽  
Rapid Identification ◽  
Heroin Addiction ◽  
Sers Substrate ◽  
Functional Theory ◽  
Surface Enhanced ◽  
Surface Enhanced Raman ◽  
And Control

Promethazine and scopolamine are two major components of a drug commonly used as a substitute for heroin addiction but with its own potential for abuse. Here, surface-enhanced Raman spectroscopy experiments were combined with density functional theory computations of the Raman frequencies of promethazine. The enhancement of the SERS substrate was optimized by contrast detection of silver nanoparticles. The optimized substrate was used to detect scopolamine, promethazine and their mixtures. Several mixtures of different concentrations were detected and analyzed. The approach of rapid identification and monitoring of drugs will become an important tool in the detection and control of illicit drug use.

Surface-enhanced Raman spectroscopy and density functional theory study of thymine-1-acetic acid interaction with silver nanoparticles

2021 ◽  
pp. 1-8
Author(s):  
Scott G. Harroun ◽  
Yaoting Zhang ◽  
Yu-Syuan Lin ◽  
Huan-Tsung Chang
Keyword(s):  
Density Functional Theory ◽  
Raman Spectroscopy ◽  
Silver Nanoparticles ◽  
Acetic Acid ◽  
Density Functional ◽  
Surface Enhanced Raman Spectroscopy ◽  
Ag Nps ◽  
Functional Theory ◽  
Surface Enhanced ◽  
Surface Enhanced Raman

Thymine-1-acetic acid (TAA) is a modified nucleobase often used to add thymine functionality to materials. This study reports the Raman band assignments for TAA by comparing its experimental and density functional theory (DFT) simulated Raman spectra. Further comparison of experimental surface-enhanced Raman spectroscopy (SERS) of TAA on silver nanoparticles (Ag NPs) with simulated spectra of various complexes of xAg+ (x = 1, 2, or 3) and TAA reveals its likely adsorption orientation on the Ag NPs. This is one of the few studies that has achieved reasonably accurate simulation of SERS by employing multiple unconnected Ag+ ions, which could represent a compromise between a single atom or ion on one hand and a computationally expensive cluster on the other.

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