Study On Rapid Detection Method Of Mineral Drugs And Addictive Drugs Based On Raman Spectroscopy

Drugs can treat,prevent and diagnose vari ous diseases by producing various effects in the body.Therefore,as a special commodity to maintain physical health and ensure life safety,it is very important to test the safety of drugs.With the rapid development of modern detection technology,a variety of detection methods have been widely used in the field of drug safety detection.However,in the actual detection process,partial methods suffer from some disadvantages such as complex operation,high cost and inability to detect in real time.To solve the above problems,this paper uses R aman spectroscopy technology combined with machine learning method to quickly classify and identify mineral drugs.Surface enhanced Raman spectrosco py(SERS)was used to detect addictive drugs in biological fluids with high sensitivity.A more stable and sensitive gold nanosphere filter paper substrate for the detection of addictive drugs was developed by using self-assembly technology which regarded high-uniformity gold nanospheres as assembly units.This study provides a rapid,accurate,non-destructive,simple,and low-cost method for the safety detection of toxic mineral drugs and addictive drugs,which can make up for the shortcomings of other existing detection methods,such as complex pretreatment,long detection time,the need for large-scale equipment and high cost.Based on density functional theory,the Raman spectra of Ketamine,Dexmedetomidine,Midazolam,Fentanyl,Realgar,and Sulfur were theoretically calculated by Gaussian software,and their vibration frequencies were assigned.The principles of two machine learning methods,Principle Component Analysis(PCA)and Support Vector Machine(SVM),were analyzed,and a visual classification and recognition model of Raman spectroscopy combined with PCA-SVM was established.Then,by analyzing all the information contained in Raman spectrum data,more accurate,more comprehensive,more scientific and more statistically significant results can be obtained.This method can effectively improve the deficiency of manually identifying and analyzing samples in the previous detection process,which only focus on a few Raman characteristic peaks,and provide a theoretical support for the data processing of Raman spectroscopy.The Raman spectra of Arsenic mineral drugs,Mercury mineral drugs,Sulfur and their compound preparations were detected,and their vibration frequencies were assigned experimentally.Then,the Raman spectral data of the above drugs were classified and identified by PCA-SVM,and the accuracy of blind sample test was higher than 98%,which could accurately classify and recognize mineral drugs.The method provides a rapid,accurate,simple and low-cost detection method for the accurate clas sification and identification of mineral medicines and their compound preparations,and further provides a reference for scientific identification of their types,origins and authenticity.Moreover,Realgar,Cinnabar and Sulfur were quantitatively detected,and the detection limit of mass fraction was determined.A rapid and high-sensitivity detection platform for abused addictive drugs in biological body fluids by SERS technology was established.Adopting silver sol as the SERS substrate,the qualitative a nd quantitative analysis of three addictive drugs of Ketamine,Dexmedetomidine and Midazolam in urine and serum were carried out under optimal experimental conditions.The detection limits and the linear variation curve of Raman characteristic peak intensi ty with concentration were obtained,and the linear equation and det ermination coefficient,and the recovery and relative standard error were calculated and analyzed,so as to realize the rapid detection of addictive drugs in biological fluid.Compared with other methods,this SERS detection method greatly reduces the detection time.In order to further improve the stability and sensitivity of SERS substrates,smooth gold nanospheres with uniform morphology and high roundness were synthesized by seed growth method combined with etching technique.High uniformity solid filter paper SERS was prepared by liquid/liquid interface self-assembly technology,and related characteristics were characterized.In addition,by soaking the solid filter paper SERS substrate into Na Cl aqueous solution for surface modification,the SERS detection sensitivity was further improved(about 3 times higher than before),and the enhancement factor of the probe molecule 4-MBA can reach 1.64×10~5.Finally,the solid filter paper SERS substrate was used to detect the abuse of addictive drug Fentanyl in biological fluid.The detection limits of Fentanyl in urine and serum were 0.6μg/m L and 0.8μg/mL,respectively.