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CN103884673B - Online infrared spectroscopy monitoring system and method for hard drug taking condition - Google Patents

Online infrared spectroscopy monitoring system and method for hard drug taking condition Download PDF

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CN103884673B
CN103884673B CN201410126219.6A CN201410126219A CN103884673B CN 103884673 B CN103884673 B CN 103884673B CN 201410126219 A CN201410126219 A CN 201410126219A CN 103884673 B CN103884673 B CN 103884673B
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drug
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CN103884673A (en
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汤晓君
李玉军
朱凌建
赵安新
房甲敏
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Fang Jiamin
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Xian Jiaotong University
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Abstract

本发明公开了一种毒品吸食情况红外光谱在线监测系统与方法,该系统包括若干电磁换向阀、傅里叶变换红外光谱仪、抽气泵和工控机,或者若干抽气泵、傅里叶变换红外光谱仪和工控机,或者若干组光纤分路与耦合器、傅里叶变换红外光谱仪和工控机;其方法利用毒品及毒品分解物的挥发性,以及挥发成分的红外吸光特性,采用傅里叶变换红外光谱仪的红外光谱气体在线分析的方法对挥发在空气中的毒品成分进行在线分析,以实现KTV、宾馆等特定场所一个或多个物理空间的毒品吸食情况进行在线监测,若发现异常,工控机则通过互联网通知公安机关,为禁毒提供有效的侦查手段与查毒证据。

The invention discloses an infrared spectrum online monitoring system and method for drug ingestion. The system includes a plurality of electromagnetic reversing valves, a Fourier transform infrared spectrometer, an air pump and an industrial computer, or a plurality of air pumps and a Fourier transform infrared spectrometer. and industrial computer, or several groups of optical fiber splitters and couplers, Fourier transform infrared spectrometer and industrial computer; the method utilizes the volatility of drugs and drug decomposition products, and the infrared absorption characteristics of volatile components, using Fourier transform infrared The online analysis method of the infrared spectrum gas of the spectrometer can analyze the drug components volatilized in the air online, so as to realize the online monitoring of drug taking in one or more physical spaces in specific places such as KTV and hotels. If any abnormality is found, the industrial computer will Notify the public security organs through the Internet to provide effective investigation methods and evidence for drug control.

Description

一种毒品吸食情况红外光谱在线监测系统与方法An infrared spectrum online monitoring system and method for drug use

【技术领域】【Technical field】

本发明涉及毒品的成分在线监测领域,特别涉及一种毒品吸食情况红外光谱在线监测系统与方法。The invention relates to the field of online monitoring of drug components, in particular to an infrared spectrum online monitoring system and method for drug smoking.

【背景技术】【Background technique】

据联合国统计,全世界每年毒品交易额达5000亿美元以上,而且交易额还在继续攀升,毒品会危害人的生命,扰乱社会秩序,会造成国家的不稳定,因此可以说,毒品已成为国际社会的最大公害之一。由于吸毒贩毒大多在宾馆、酒店、夜店等场所进行,因此,对这些场所的监控,是查毒、禁毒的一种重要手段。目前,尚无对这些场所能进行在线监测的仪器,主要靠公安部门的稽查来进行监控。一方面,目前的稽查方式消耗了大量的警力;另一方面,干扰了宾馆、酒店等场所的正常营业;第三,查毒的效率非常有限。因此,开发一种毒品吸食情况的在线监测仪,通过监测空气中毒品挥发物及其分解物的成分,来实时监控宾馆、酒店等场所是否有人吸毒,将大大提高查毒禁毒的力度,同时,还降低了查毒警力的需求。因此,开发毒品在线监测仪,对维护社会秩序与稳定,保护公众身体健康具有重要意义。According to the statistics of the United Nations, the annual drug trade volume in the world reaches more than 500 billion U.S. dollars, and the transaction volume continues to rise. Drugs will endanger people's lives, disrupt social order, and cause national instability. Therefore, it can be said that drugs have become an international One of society's greatest public hazards. Since drug taking and drug trafficking are mostly carried out in hotels, hotels, nightclubs and other places, the monitoring of these places is an important means of drug detection and drug control. At present, there is no instrument that can monitor these places online, and the monitoring is mainly carried out by the inspection of the public security department. On the one hand, the current inspection method consumes a lot of police force; on the other hand, it interferes with the normal business of hotels, hotels and other places; third, the efficiency of drug inspection is very limited. Therefore, develop a kind of online monitoring instrument of drug taking situation, by monitoring the composition of drug volatile matter and its decomposition product in the air, come real-time monitoring whether people take drugs in places such as hotels, hotels, will greatly improve the intensity of drug detection and anti-drug, meanwhile, It also reduces the need for drug detection police. Therefore, the development of online drug monitors is of great significance to maintaining social order and stability and protecting public health.

目前,毒品的检验主要针对研究毒品的种类、组成、结构、性质和含量,为侦破和审理毒品违法犯罪案件提供科学依据和重要线索。毒品检验主要包括外观检验、物理检验、化学检验、仪器分析等。外观检验是对毒品的颜色、气味、物理形态及性状等进行观察和比较,对毒品进行初步判断;物理检验主要是对毒品的物理性能如溶解度、熔点、沸点进行测试,得出与加工过程有关的信息;化学检验和仪器分析方法,主要是对毒品的化学成分,如毒品成分、添加物成分、掺假成分、杂质、溶剂、金属等成分进行定性和定量分析,从而获得毒品加工合成过程中所用的原料、合成方法和路线、判断毒品来源等方面的信息。此外毒品检验还包括对生物样本如唾液、尿液、血液、毛发中的毒品原型及其代谢物进行检验,以确定嫌疑人是否吸毒及吸食毒品的种类、时间等。毒品检验的检材主要包括各种形态的毒品可疑物,如块状、粉末、针剂等固体物质,液体等;生物检材,如吸毒者的尿液、血、指甲等。对这些检材进行取样后,再采用相应的方法进行分析。At present, the inspection of drugs is mainly aimed at studying the type, composition, structure, nature and content of drugs, so as to provide scientific basis and important clues for the detection and trial of drug-related crimes. Drug inspection mainly includes appearance inspection, physical inspection, chemical inspection, instrumental analysis, etc. Appearance inspection is to observe and compare the color, smell, physical form and properties of drugs, and make a preliminary judgment on drugs; physical inspection is mainly to test the physical properties of drugs such as solubility, melting point, and boiling point, and conclude that it is related to the processing process. information; chemical testing and instrumental analysis methods are mainly to conduct qualitative and quantitative analysis of the chemical components of drugs, such as drug components, additive components, adulterated components, impurities, solvents, metals and other components, so as to obtain information on the process of drug processing and synthesis. Information on the raw materials used, synthetic methods and routes, and determination of drug sources, etc. In addition, drug testing also includes testing the drug prototype and its metabolites in biological samples such as saliva, urine, blood, and hair to determine whether the suspect has taken drugs and the type and time of drug use. Drug testing materials mainly include drug suspects in various forms, such as lumps, powders, injections and other solid substances, liquids, etc.; biological testing materials, such as urine, blood, nails, etc. of drug addicts. After sampling these samples, the corresponding methods are used for analysis.

毒品的分析是一项复杂、高难度的工作,其所采用的分析技术几乎涉及分析化学的所有技术。在仪器分析技术发展的初期,毒品检验主要采用化学分析的方法来完成,如化学显色法。随着仪器分析技术的发展与成熟,分子光谱法,如荧光分析法(Fluorescenceanalysis)、激光拉曼技术(Laser Raman Spectroscopy,LRS)、傅立叶变换红外光谱(Fourier Transform Infrared,FTIR)、化学发光法(Chemoluminescence method)等;色谱法,如薄层色谱法(Thin-layer chromatograph)、高效液相色谱法(High PerformanceLiquid Chromatograph,HPLC)、气相色谱法(Gas Chromatograph,GC)等、色谱质谱联用法(如GC-MS、HPLC-MS、GC-IMS、GC-HRMS等)以及毛细管电泳(Capillary electrophoresis,CE)等仪器分析方法成为毒品检验分析的主要手段,而化学分析法则作为辅助手段用于毒品检验分析的初筛和预实验。常用的毒品分析方法及其特点如下:The analysis of drugs is a complex and difficult task, and the analytical techniques used in it involve almost all techniques of analytical chemistry. In the initial stage of the development of instrumental analysis technology, drug testing was mainly done by chemical analysis methods, such as chemical chromogenic method. With the development and maturity of instrument analysis technology, molecular spectroscopy, such as fluorescence analysis (Fluorescence analysis), laser Raman technology (Laser Raman Spectroscopy, LRS), Fourier transform infrared spectroscopy (Fourier Transform Infrared, FTIR), chemiluminescence ( Chemoluminescence method), etc.; chromatography, such as thin-layer chromatography (Thin-layer chromatograph), high-performance liquid chromatography (High Performance Liquid Chromatograph, HPLC), gas chromatography (Gas Chromatograph, GC), etc., chromatography-mass spectrometry (such as GC-MS, HPLC-MS, GC-IMS, GC-HRMS, etc.) and capillary electrophoresis (Capillary electrophoresis, CE) and other instrumental analysis methods have become the main means of drug testing and analysis, while chemical analysis methods are used as auxiliary means for drug testing and analysis preliminary screening and pre-experimentation. Commonly used drug analysis methods and their characteristics are as follows:

1)化学显色法这是一种定性分析方法,通常利用毒品与某些化学试剂作用,产生特征的颜色来确定其存在。这种方法简单、直观、容易操作,但是需要的检材比较多,特异性比较差;1) Chemical chromogenic method This is a qualitative analysis method, which usually uses the action of drugs and certain chemical reagents to produce characteristic colors to determine their existence. This method is simple, intuitive, and easy to operate, but requires more samples and has poor specificity;

2)荧光分析法荧光分析法是根据物质的分子荧光光谱进行定性,以荧光强度时行定量分析的一种方法。荧光分析法灵敏度高,可以达到10-6。使用时要考虑环境的影响因素,不同溶剂、温度、pH值以及噪声都会对测量结果有影响,但有时也可以在特殊情况下使用这些影响因素;2) Fluorescence analysis Fluorescence analysis is a method of qualitative analysis based on the molecular fluorescence spectrum of the substance, and quantitative analysis based on the fluorescence intensity. Fluorescence analysis method has high sensitivity, which can reach 10 -6 . Environmental factors should be considered when using, different solvents, temperature, pH value and noise will have an impact on the measurement results, but sometimes these factors can also be used in special cases;

3)激光拉曼光谱法当单色光照射在某物质上时,形成散射光,大部分散射光的频率与入射光的频率相同,这种散射称为瑞利散射;散射光中能观测到一小部分的频率不同于入射光的频率,这种散射即为拉曼散射。拉曼散射线的频率与入射光频率之差称为拉曼频移,这种频移可表征分子中不同基团振动的特性,因此可以通过测定对分子进行定性和结构分析。拉曼光谱法除了可以确定各种毒品的分子结构外,还可根据拉曼散射谱对未知物品是否为毒品进行检测;3) Laser Raman spectroscopy When monochromatic light is irradiated on a substance, scattered light is formed, and the frequency of most of the scattered light is the same as that of the incident light. This kind of scattering is called Rayleigh scattering; it can be observed in scattered light A fraction of the frequencies differ from the frequency of the incident light, and this scattering is known as Raman scattering. The difference between the frequency of Raman scattering rays and the frequency of incident light is called Raman frequency shift. This frequency shift can characterize the vibration characteristics of different groups in molecules, so it can be used for qualitative and structural analysis of molecules. In addition to determining the molecular structure of various drugs, Raman spectroscopy can also detect whether an unknown item is a drug according to the Raman scattering spectrum;

4)化学发光分析法化学发光是由化学反应提供激发能,激发产物分子或其他共存分子产生光辐射。化学发光分析法就是根据光辐射的不同来检测分析不同的物质。化学发光分析法有液相化学发光和气相化学发光两种。常用的化学发光分析仪器有分立取样式和流动注射式两种。实验证明化学发光检测一般比紫外分光法和荧光分析法具有更高的灵敏度和准确性,它已成为一种重要的痕量分析方法;4) Chemiluminescence analysis Chemiluminescence is the excitation energy provided by chemical reactions, which excites product molecules or other coexisting molecules to produce light radiation. Chemiluminescence analysis is to detect and analyze different substances according to the difference of light radiation. There are two types of chemiluminescence analysis: liquid-phase chemiluminescence and gas-phase chemiluminescence. Commonly used chemiluminescence analysis instruments include discrete sampling and flow injection. Experiments have proved that chemiluminescence detection is generally more sensitive and accurate than ultraviolet spectrometry and fluorescence analysis, and it has become an important trace analysis method;

5)色谱法、色谱-质谱联用法色谱仪是一种通过毛细管,将待分析物的成分进行分离来进行物质成分分析的仪器,特别适合于有机物的定量分析。质谱仪是一种鉴定分子的分析仪器,特别适合于定性分析。两种分析仪器通过专用的接口(分子分离器)连接,并使用计算机自动控制联机后操作参数,能使其成为一个整体而提供分析信息。色谱-质谱联用分析法能对复杂混合物样品中各组分进行快速定性定量分析,具有定性准确、分析速度快、操作简便等特点。目前使用的色谱—质谱联用主要有GC/MS和HPLC/MS,且此法现已成为毒品定性和定量分析最有效和常用标准确证方法之一。但色谱仪和质谱仪相对比较昂贵,两种仪器形成的连用,则价格更为高昂;5) Chromatography, chromatography-mass spectrometry Chromatography is an instrument that separates the components of the analyte through a capillary to analyze the composition of the substance, and is especially suitable for the quantitative analysis of organic matter. Mass spectrometer is an analytical instrument for molecular identification, especially suitable for qualitative analysis. The two analytical instruments are connected through a special interface (molecular separator), and the computer is used to automatically control the operating parameters after the connection, so that it can be integrated and provide analysis information. Chromatography-mass spectrometry can perform rapid qualitative and quantitative analysis of components in complex mixture samples, and has the characteristics of accurate qualitative, fast analysis, and easy operation. Chromatography-mass spectrometry currently used mainly includes GC/MS and HPLC/MS, and this method has become one of the most effective and commonly used standard verification methods for qualitative and quantitative analysis of drugs. However, chromatographs and mass spectrometers are relatively expensive, and the combination of the two instruments is even more expensive;

6)毛细管电泳法毛细管电泳(CE),又称高效毛细管电泳(HPCE)是近年来发展最快的分析化学研究领域之一。就毒品分析而言,毒品组分之间可能化学性质差异很大,也可能分子结构极为相似,其中的杂质、稀释剂往往以痕量存在,而毛细管电泳技术分离效率高,质量灵敏度高,对样品和溶剂的需求量小,并且可采用多种分离模式,与多种检测方法实现联用,分析范围广泛,因此适合对复杂毒品进行有效的定性、定量分析。目前已应用于几种常见毒品如盐酸吗啡、海洛因、蒂巴因等的分析检测。此外,与应用于毒品检验的其他技术相比,CE具有独特的分离机理,可以作为毒品系统分析的重要方法,与其他方法相互认证共同完成各种毒品的描述,建立指纹图谱库,进而为毒品的来源推断提供有力的技术支持;6) Capillary Electrophoresis Capillary electrophoresis (CE), also known as high-performance capillary electrophoresis (HPCE), is one of the fastest-growing analytical chemistry research fields in recent years. As far as drug analysis is concerned, the chemical properties of drug components may vary greatly, or the molecular structure may be very similar, and impurities and diluents often exist in trace amounts. Capillary electrophoresis technology has high separation efficiency and high mass sensitivity. The demand for samples and solvents is small, and a variety of separation modes can be used, combined with a variety of detection methods, and the analysis range is wide, so it is suitable for effective qualitative and quantitative analysis of complex drugs. At present, it has been applied to the analysis and detection of several common drugs such as morphine hydrochloride, heroin, and thebaine. In addition, compared with other technologies applied to drug testing, CE has a unique separation mechanism, which can be used as an important method for drug system analysis. It can be mutually authenticated with other methods to complete the description of various drugs, establish a fingerprint library, and further provide information for drug analysis. Provide strong technical support for source deduction;

7)傅里叶变换红外光谱法英国圣安德鲁斯大学与工业界合作,于1999年研制出一种可快速分析多种毒气成分的新型光谱仪,已在市场上出现。该仪器是经改进的傅立叶变换红外分光光度计,通过对不同毒气波长的吸收状况来确定毒气种类。7) Fourier Transform Infrared Spectroscopy In 1999, the University of St. Andrews in the United Kingdom cooperated with the industry to develop a new type of spectrometer that can quickly analyze various toxic gas components, which has appeared on the market. The instrument is an improved Fourier transform infrared spectrophotometer, which can determine the type of poisonous gas through the absorption of different wavelengths of poisonous gas.

从上述分析可知,国内外目前对毒品的检测,大多是对各种样品中药物原体及生物样品中的毒品代谢物定性定量分析。对代谢物的检测,需要对个体或样品取样,是一种吸食毒品事后的检验,而不是一种事发前,或进行中的检验,因此不适合在线监测。对毒品成分的分析,同样需要取样、送检等程序,并不实验于特定区域的毒品发现。因此,从已有的毒品检验仪器与方法来看,目前尚没有能价格低廉的毒品在线监测仪器。常规的检验仪器基本都涉及取样、人工分析等程序。有的毒品检验仪器价格相当还昂贵,操作复杂,例如色谱-质谱联用法,色谱仪和质谱仪都属于价格较高的仪器,单台仪器的价格高达数十万人民币,而且,这些仪器的操作员都需要经过严格的培训才能实现正确的分析,因此无法满足自动查毒的需要。From the above analysis, it can be seen that most of the current detection of drugs at home and abroad is qualitative and quantitative analysis of the original drug in various samples and drug metabolites in biological samples. The detection of metabolites requires sampling of individuals or samples. It is a post-drug test rather than a pre-event or ongoing test, so it is not suitable for online monitoring. The analysis of drug components also requires procedures such as sampling and inspection, and does not test the discovery of drugs in specific areas. Therefore, from existing narcotics inspection instrument and method, still do not have the narcotics on-line monitoring instrument that can be cheap at present. Conventional inspection instruments basically involve procedures such as sampling and manual analysis. Some drug testing instruments are quite expensive and complicated to operate, such as chromatography-mass spectrometry, chromatographs and mass spectrometers are relatively expensive instruments, and the price of a single instrument is as high as hundreds of thousands of yuan. Moreover, the operation of these instruments All personnel need to undergo strict training to achieve correct analysis, so it cannot meet the needs of automatic virus detection.

【发明内容】【Content of invention】

本发明的目的在于提供一种毒品吸食情况红外光谱在线监测系统及方法。其为禁毒提供有效的特种侦察手段和查毒证据。The object of the present invention is to provide an infrared spectrum online monitoring system and method for drug abuse. It provides effective special reconnaissance means and drug detection evidence for drug control.

为了实现上述目的,本发明采用的第一种并列的技术方案是:In order to achieve the above object, the first kind of parallel technical scheme that the present invention adopts is:

一种毒品吸食情况红外光谱在线监测系统,包括若干电磁换向阀、傅里叶变换红外光谱仪、抽气泵和工控机;其中,若干电磁换向阀的进气口设置在相应的若干被监测物理空间内,若干电磁换向阀的出气口分别与傅里叶变换红外光谱仪的气室入口相连通,工控机用于在同一时间内选择其中一个电磁换向阀工作,抽气泵用于将被监测物理空间的气体抽至傅里叶变换红外光谱仪的气室,傅里叶变换红外光谱仪将被监测物理空间气体的吸光度光谱数据和透射率光谱数据传输给工控机。An infrared spectrum on-line monitoring system for drug abuse, including several electromagnetic reversing valves, Fourier transform infrared spectrometers, air pumps and industrial computers; wherein, the air inlets of several electromagnetic reversing valves are set at corresponding physical locations to be monitored. In the space, the air outlets of several electromagnetic reversing valves are respectively connected with the air chamber inlets of the Fourier transform infrared spectrometer. The industrial computer is used to select one of the electromagnetic reversing valves to work at the same time, and the air pump is used to monitor The gas in the physical space is pumped into the gas chamber of the Fourier transform infrared spectrometer, and the Fourier transform infrared spectrometer transmits the absorbance spectrum data and transmittance spectrum data of the monitored physical space gas to the industrial computer.

基于上述毒品吸食情况红外光谱在线监测系统的方法,包括以下步骤:The method based on the infrared spectrum online monitoring system of above-mentioned drug taking situation comprises the following steps:

1)在同一时间内,工控机选择其中一个电磁换向阀工作,抽气泵通过该电磁换向阀将与该电磁换向阀对应的一个被监测物理空间的空气抽至傅里叶变换红外光谱仪气室进行在线分析,得到被监测物理空间气体的吸光度光谱数据和透射率光谱数据;1) At the same time, the industrial computer selects one of the electromagnetic reversing valves to work, and the air pump pumps the air in a monitored physical space corresponding to the electromagnetic reversing valve to the Fourier transform infrared spectrometer through the electromagnetic reversing valve The gas chamber conducts online analysis to obtain the absorbance spectrum data and transmittance spectrum data of the gas in the monitored physical space;

2)傅里叶变换红外光谱仪将被监测物理空间气体的吸光度光谱数据和透射率光谱数据传输给工控机,工控机将被监测物理空间气体的吸光度光谱数据和透射率光谱数据与预设的若干种毒品气体的吸收光谱数据比较,若被监测物理空间气体的吸光度光谱数据均大于等于一种或多种预设毒品气体的吸收光谱预设值,或者若被监测物理空间气体的透射率光谱数据小于等于一种或多种预设毒品气体的吸收光谱预设值,则工控机发出警示信号;若被监测物理空间气体的吸光度光谱数据或透射率光谱数据没有达到任何一种预设毒品气体的吸收光谱预设值,则工控机选择另一个电磁换向阀工作。2) The Fourier transform infrared spectrometer transmits the absorbance spectrum data and transmittance spectrum data of the gas in the monitored physical space to the industrial computer, and the industrial computer will compare the absorbance spectrum data and transmittance spectrum data of the gas in the monitored physical space with the preset number Compared with the absorption spectrum data of a drug gas, if the absorbance spectrum data of the gas in the monitored physical space is greater than or equal to the preset value of the absorption spectrum of one or more preset drug gases, or if the transmittance spectrum data of the gas in the monitored physical space If it is less than or equal to the preset value of the absorption spectrum of one or more preset drug gases, the industrial computer will send out a warning signal; Absorption spectrum preset value, then the industrial computer selects another electromagnetic reversing valve to work.

本发明采用的第二种并列的技术方案是:一种毒品吸食情况红外光谱在线监测系统,包括若干抽气泵、傅里叶变换红外光谱仪和工控机;其中,若干抽气泵的进气口设置在相应的若干被监测物理空间内,若干抽气泵的出气口分别与傅里叶变换红外光谱仪的气室入口相连通,工控机用于在同一时间内选择其中一个抽气泵工作,傅里叶变换红外光谱仪将被监测物理空间气体的吸光度光谱数据和透射率光谱数据传输给工控机。The second parallel technical solution adopted by the present invention is: an infrared spectrum on-line monitoring system for drug ingestion, including several air pumps, Fourier transform infrared spectrometers and industrial computers; wherein, the air inlets of several air pumps are arranged in In the corresponding monitored physical spaces, the air outlets of several air pumps are respectively connected with the air chamber inlets of the Fourier transform infrared spectrometer. The industrial computer is used to select one of the air pumps to work at the same time, and the Fourier transform infrared The spectrometer transmits the absorbance spectrum data and transmittance spectrum data of the monitored physical space gas to the industrial computer.

基于上述毒品吸食情况红外光谱在线监测系统的方法,包括以下步骤:The method based on the infrared spectrum online monitoring system of above-mentioned drug taking situation comprises the following steps:

1)在同一时间内,工控机选择其中一个抽气泵工作,该抽气泵将其监测物理空间的空气抽至傅里叶变换红外光谱仪气室进行在线分析,得到被监测物理空间气体的吸光度光谱数据和透射率光谱数据;1) At the same time, the industrial computer selects one of the air pumps to work, and the air pump pumps the air in the monitored physical space to the gas chamber of the Fourier transform infrared spectrometer for online analysis, and obtains the absorbance spectral data of the gas in the monitored physical space and transmittance spectral data;

2)傅里叶变换红外光谱仪将被监测物理空间气体的吸光度光谱数据和透射率光谱数据传输给工控机,工控机将被监测物理空间气体的吸光度光谱数据和透射率光谱数据与预设的若干种毒品气体的吸收光谱数据比较,若被监测物理空间气体的吸光度光谱数据均大于等于一种或多种预设毒品气体的吸收光谱预设值,或者若被监测物理空间气体的透射率光谱数据小于等于一种或多种预设毒品气体的吸收光谱预设值,则工控机发出警示信号;若被监测物理空间气体的吸光度光谱数据或透射率光谱数据没有达到任何一种预设毒品气体的吸收光谱预设值,则工控机选择另一个抽气泵工作。2) The Fourier transform infrared spectrometer transmits the absorbance spectrum data and transmittance spectrum data of the gas in the monitored physical space to the industrial computer, and the industrial computer will compare the absorbance spectrum data and transmittance spectrum data of the gas in the monitored physical space with the preset number Compared with the absorption spectrum data of a drug gas, if the absorbance spectrum data of the gas in the monitored physical space is greater than or equal to the preset value of the absorption spectrum of one or more preset drug gases, or if the transmittance spectrum data of the gas in the monitored physical space If it is less than or equal to the preset value of the absorption spectrum of one or more preset drug gases, the industrial computer will send out a warning signal; Absorption spectrum preset value, then the industrial computer selects another pump to work.

本发明采用的第三种并列的技术方案是:一种毒品吸食情况红外光谱在线监测系统,包括若干组光纤分路与耦合器、傅里叶变换红外光谱仪和工控机;其中,若干组光纤分路与耦合器设置在相应的若干被监测物理空间内,且每一组光纤分路与耦合器将其在相应的被监测物理空间被吸收的干涉光耦合到傅里叶变换红外光谱仪光源,工控机用于在同一时间内选择其中一组光纤分路与耦合器工作,傅里叶变换红外光谱仪将被监测物理空间的吸光度光谱数据和透射率光谱数据传输给工控机。The third parallel technical solution adopted by the present invention is: an infrared spectrum online monitoring system for drug abuse, including several groups of optical fiber splitters and couplers, Fourier transform infrared spectrometers and industrial computers; wherein, several groups of optical fiber splitters The circuits and couplers are arranged in corresponding physical spaces to be monitored, and each group of optical fiber branches and couplers couples the interference light absorbed in the corresponding monitored physical spaces to the light source of the Fourier transform infrared spectrometer, industrial control The computer is used to select a group of optical fiber splitters and couplers to work at the same time, and the Fourier transform infrared spectrometer transmits the absorbance spectral data and transmittance spectral data of the monitored physical space to the industrial computer.

基于上述毒品吸食情况红外光谱在线监测系统的方法,包括以下步骤:The method based on the infrared spectrum online monitoring system of above-mentioned drug taking situation comprises the following steps:

1)在同一时间内,工控机选择一组光纤分路与耦合器工作,该组光纤分路与耦合器将其监测物理空间被吸收的干涉光耦合到傅里叶变换红外光谱仪光源进行在线分析,得到被监测物理空间气体的吸光度光谱数据和透射率光谱数据;1) At the same time, the industrial computer selects a group of optical fiber splitters and couplers to work, and the group of optical fiber splitters and couplers couples the absorbed interference light in the monitored physical space to the light source of the Fourier transform infrared spectrometer for online analysis , to obtain the absorbance spectrum data and transmittance spectrum data of the monitored physical space gas;

2)傅里叶变换红外光谱仪将被监测物理空间气体的吸光度光谱数据和透射率光谱数据传输给工控机,工控机将被监测物理空间气体的吸光度光谱数据和透射率光谱数据与预设的若干种毒品气体的吸收光谱数据比较,若被监测物理空间气体的吸光度光谱数据均大于等于一种或多种预设毒品气体的吸收光谱预设值,或者若被监测物理空间气体的透射率光谱数据小于等于一种或多种预设毒品气体的吸收光谱预设值,则工控机发出警示信号;若被监测物理空间气体的吸光度光谱数据或透射率光谱数据没有达到任何一种预设毒品气体的吸收光谱预设值,则工控机选择另一组光纤分路与耦合器工作。2) The Fourier transform infrared spectrometer transmits the absorbance spectrum data and transmittance spectrum data of the gas in the monitored physical space to the industrial computer, and the industrial computer will compare the absorbance spectrum data and transmittance spectrum data of the gas in the monitored physical space with the preset number Compared with the absorption spectrum data of a drug gas, if the absorbance spectrum data of the gas in the monitored physical space is greater than or equal to the preset value of the absorption spectrum of one or more preset drug gases, or if the transmittance spectrum data of the gas in the monitored physical space If it is less than or equal to the preset value of the absorption spectrum of one or more preset drug gases, the industrial computer will send out a warning signal; Absorption spectrum preset value, then the industrial computer selects another group of optical fiber branch and coupler to work.

相对于现有技术,本发明利用毒品、以及毒品在吸收过程中的分解物的挥发性,及挥发物中有效成分的红外吸光特性,采用红外光谱气体分析的方法对挥发在空气中的毒品成分进行在线分析,以实现KTV、宾馆等特定场所的毒品吸食情况进行在线监测,为禁毒提供有效的侦查手段与查毒证据。Compared with the prior art, the present invention utilizes the volatility of drugs and the decomposition products of drugs in the absorption process, and the infrared absorption characteristics of the active ingredients in the volatile matter, and adopts the method of infrared spectrum gas analysis to analyze the drug components volatilized in the air. Online analysis is carried out to realize online monitoring of drug use in specific places such as KTVs and hotels, and to provide effective investigation methods and evidence for drug control.

【附图说明】【Description of drawings】

图1是本发明毒品吸食情况红外光谱在线监测系统的原理图;Fig. 1 is the schematic diagram of the infrared spectrum online monitoring system of drug taking situation of the present invention;

图2是多个物理空间毒品在线监测系统的光路切换示意图;Fig. 2 is a schematic diagram of optical path switching of a drug online monitoring system in multiple physical spaces;

图3是海洛因碱和海洛因盐酸盐红外吸收光谱图;Fig. 3 is heroin base and heroin hydrochloride infrared absorption spectrogram;

图4(a)是单组份10%甲烷,2%乙烷,1%丙烷红外吸收光谱图,图4(b)是单组份10%甲烷与2%乙烷的混合气的中红外光谱高波数段光谱图;Figure 4(a) is a single-component 10% methane, 2% ethane, 1% propane infrared absorption spectrum, and Figure 4(b) is a single-component mid-infrared spectrum of a mixture of 10% methane and 2% ethane High-wavelength spectrum;

图5(a)是甲烷、乙烷和丙烷气体长期在线监测过程中获得的发生基线畸变的三个谱图;Figure 5(a) is the three spectra obtained during the long-term on-line monitoring of methane, ethane and propane gases with baseline distortion;

图5(b)是图5(a)中三个光谱图基线校正后的光谱图;Fig. 5 (b) is the spectrogram after baseline correction of the three spectrograms in Fig. 5 (a);

图5(c)是图5(a)中data1的初始光谱图,及其基线修正光谱图、重构光谱图;Fig. 5(c) is the initial spectrogram of data1 in Fig. 5(a), and its baseline corrected spectrogram and reconstructed spectrogram;

图5(d)是图5(a)中data2的初始光谱图,及其基线修正光谱图、重构光谱图;Fig. 5(d) is the initial spectrogram of data2 in Fig. 5(a), and its baseline corrected spectrogram and reconstructed spectrogram;

图5(e)是图5(a)中data3的初始光谱图,及其基线修正光谱图、重构光谱图。Fig. 5(e) is the initial spectrogram of data3 in Fig. 5(a), and its baseline corrected spectrogram and reconstructed spectrogram.

【具体实施方式】【detailed description】

下面结合附图对本发明作进一步详细说明。The present invention will be described in further detail below in conjunction with the accompanying drawings.

参见图1和图2,本发明一种毒品吸食情况红外光谱在线监测系统与方法,该系统包括若干电磁换向阀、傅里叶变换红外光谱仪、抽气泵和工控机,或者若干抽气泵、傅里叶变换红外光谱仪和工控机,或者若干组光纤分路与耦合器、傅里叶变换红外光谱仪和工控机;其方法利用毒品、以及毒品在吸收过程中的分解物的挥发性,及挥发物中有效成分的红外吸光特性,采用红外光谱气体分析的方法对挥发在空气中的毒品成分进行在线分析,以实现KTV、宾馆等特定场所的毒品吸食情况进行在线监测,若发现异常,则通过互联网通知公安机关,为禁毒提供有效的侦查手段与查毒证据。毒品吸食情况红外光谱在线监测原理图如附图1所示。对于具有多个物理空间的场所,如宾馆,采用一个地点一套光学平台,每个独立物理空间一个光路/气路,多个光路/气路按照光路/气路切换的方式共用一套光学平台,然后对各物理空间逐个扫描空间内的空气光谱,确定是否有毒品吸食,以节省系统成本。毒品吸食情况红外光谱在线监测系统的光路/气路切换如附图2所示。对于光路切换的毒品在线测试系统,首先采用光纤把光信号送到各物理空间,在该物理空间的空气对光信号吸收后,再用光纤将光信号传回到光学平台;对于气路切换的测试系统,则采用电磁换向阀进行气路切换,而且还有一个抽风装置,以从物理空间的空气中取样,并输送到光学平台的样品室中。而对于需移动进行毒品测试的仪器,则只有一个光路,一套光学平台,气路中有一个微型的抽风机,将样气抽入光学平台的样气室中,以备光谱分析。Referring to Fig. 1 and Fig. 2, a kind of drug taking situation infrared spectrum online monitoring system and method of the present invention, this system comprises several electromagnetic reversing valves, Fourier transform infrared spectrometer, air pump and industrial computer, or several air pumps, Fu Fourier transform infrared spectrometer and industrial computer, or several groups of optical fiber splitters and couplers, Fourier transform infrared spectrometer and industrial computer; the method utilizes the volatility of drugs and the decomposition products of drugs in the absorption process, and the volatile matter Infrared absorption characteristics of the active ingredients in the drug, using the infrared spectrum gas analysis method to conduct online analysis of the drug components volatilized in the air, so as to realize online monitoring of drug abuse in specific places such as KTVs and hotels. Notify the public security organs to provide effective investigation methods and evidence for drug control. The principle diagram of infrared spectrum online monitoring of drug abuse is shown in Figure 1. For places with multiple physical spaces, such as hotels, a set of optical platforms is used in one location, one optical path/air path for each independent physical space, and multiple optical paths/air paths share a set of optical platforms according to the switching method of optical path/air path , and then scan the air spectrum in each physical space one by one to determine whether there are drugs taken, so as to save system costs. The optical path/gas path switching of the infrared spectrum online monitoring system for drug abuse is shown in Figure 2. For the drug online testing system with optical path switching, the optical fiber is first used to send the optical signal to each physical space, and after the air in the physical space absorbs the optical signal, the optical signal is transmitted back to the optical platform with the optical fiber; for the air path switching The test system uses an electromagnetic reversing valve to switch the air path, and there is also an exhaust device to take samples from the air in the physical space and transport them to the sample chamber of the optical platform. As for the instrument that needs to be moved for drug testing, there is only one optical path, a set of optical platform, and a miniature exhaust fan in the gas path, which pumps the sample gas into the sample gas chamber of the optical platform for spectral analysis.

毒品的光谱在线分析按照气体在线分析的方法进行。首先获得毒品的标样及其光谱图,然后采用特征提取的方法,为每种毒品提取特征变量,并以这些特征变量作为输入,以毒品的品种,浓度为输出,采用偏最小二乘法、神经网络法建立其分析模型。在实际在线分析过程中,首先进行光谱基线的校正,然后根据特征变量的计算式计算特征变量值,并根据所建立的模型参数,计算各组分毒品气体的浓度。如果某种毒品气体成分的浓度达到某一设定的浓度值,则给出警示信号。The spectral online analysis of drugs is carried out according to the method of gas online analysis. First obtain the drug standard sample and its spectrum, and then use the feature extraction method to extract the characteristic variables for each drug, and use these characteristic variables as input, and use the drug species and concentration as the output, using partial least squares method, neural The network method establishes its analysis model. In the actual on-line analysis process, the spectral baseline is first corrected, and then the characteristic variable values are calculated according to the calculation formula of the characteristic variables, and the concentration of each component of the drug gas is calculated according to the established model parameters. If the concentration of a certain drug gas component reaches a certain set concentration value, a warning signal will be given.

进一步地说,本发明的多个物理空间的毒品吸食情况红外光谱在线监测是通过光路切换,或者气路切换,用一台傅里叶变换红外光谱仪采用各个被监测物理空间逐个扫描的方式来进行分析的,如果是气路切换,则用抽气泵将被监测物理空间的气体抽至光谱仪气室,如果是光路切换,则用光纤耦合光谱仪干涉光到被监测物理空间,并将被吸收的干涉光耦合到光谱仪光源。Furthermore, the infrared spectrum online monitoring of drug use in multiple physical spaces of the present invention is carried out by switching the optical path or the gas path, and using a Fourier transform infrared spectrometer to scan each monitored physical space one by one. For analysis, if the gas circuit is switched, the gas in the monitored physical space is pumped to the gas chamber of the spectrometer by an air pump; The light is coupled to the spectrometer light source.

如果毒品吸食情况红外光谱在线监测系统是气路切换型,则每个被监测物理空间都有一根管道通过电磁阀与傅里叶变换红外光谱仪的气室相连,所有的气路中,只有一个与其相连的电磁阀状态处于开启状态,当系统处于监测第i个物理空间,需要切换到第i+1个物理空间时,将关闭信号发送至与第i个物理空间管路相连的电磁阀,同时,将开启信号发送至与第i+1个物理空间管路相连的电磁阀;如果毒品吸食情况红外光谱在线监测系统是光路切换型,则每个被监测物理空间有两根光纤通过光纤分路/耦合器与傅里叶变换红外光谱仪相连,一根用于将耦合的光源干涉光传输到被监测物理空间,另一根用于将被毒品及其分解物的挥发物吸收后的干涉光传输给探测器,系统通过将切换信号发送至光纤分路/耦合器,切换方法与气路切换方式相同,任何时候只有一个光路处于傅里叶变换红外光谱仪的光路中。If the infrared spectroscopy online monitoring system for drug abuse is of the air circuit switching type, each monitored physical space has a pipeline connected to the air chamber of the Fourier transform infrared spectrometer through a solenoid valve, and only one of the air circuits is connected to it. The state of the connected solenoid valve is in the open state. When the system is monitoring the i-th physical space and needs to switch to the i+1-th physical space, the closing signal is sent to the solenoid valve connected to the i-th physical space pipeline, and at the same time , send the opening signal to the solenoid valve connected to the pipeline in the i+1th physical space; if the infrared spectrum online monitoring system for drug abuse is an optical path switching type, then each monitored physical space has two optical fibers through the optical fiber branch The / coupler is connected to the Fourier transform infrared spectrometer, one is used to transmit the coupled light source interference light to the monitored physical space, and the other is used to transmit the interference light absorbed by the volatiles of drugs and their decomposition products For the detector, the system sends the switching signal to the fiber splitter/coupler. The switching method is the same as the gas path switching method. At any time, only one optical path is in the optical path of the Fourier transform infrared spectrometer.

其中,发现异常是指监测到某个物理空间存在吸食毒品的可能,其品种可以包括目前国家法定的毒品,则通过互联网通知公安机关是指通过短信、互联网通知公安机关,内容包括所吸食毒品的品种,场所的地点,包括宾馆/KTV的地址、名称、房间号。Among them, finding anomalies refers to monitoring the possibility of taking drugs in a certain physical space, and its varieties can include the drugs currently legalized by the state. Notifying the public security organs through the Internet refers to notifying the public security organs through text messages and the Internet, including the contents of the drugs taken. Variety, the location of the place, including the address, name, and room number of the hotel/KTV.

本发明毒品吸食情况红外光谱在线监测系统由硬件和软件两部分组成,以下结合附图对本发明作进一步的详细描述。The infrared spectrum on-line monitoring system for drug abuse of the present invention is composed of hardware and software. The present invention will be further described in detail below in conjunction with the accompanying drawings.

1、硬件部分1. Hardware part

毒品吸食情况红外光谱在线监测系统的硬件部分包括连接管路、管路分接头、工控机、傅里叶变换红外光谱仪组成,对于光纤切换型监测系统,还有光纤分路/耦合器,红外光纤,而对于气路切换型监测系统,则还有多路电磁换向阀,抽风泵。The hardware part of the infrared spectrum online monitoring system for drug abuse includes connecting pipelines, pipeline taps, industrial computers, and Fourier transform infrared spectrometers. For optical fiber switching monitoring systems, there are also optical fiber splitters/couplers, infrared optical fiber , and for the gas circuit switching monitoring system, there are also multi-channel electromagnetic reversing valves and exhaust pumps.

傅里叶变换红外光谱仪用来获得毒品气体的吸收光谱,可以是Bruker公司的Tensor27,Tensor37型,也可以是PE公司的Spectrum Two型,只要能提供0.5cm-1以上分辨率,性能稳定,波数范围上限能达到6000cm-1以上,下限小于600cm-1即可;The Fourier transform infrared spectrometer is used to obtain the absorption spectrum of drug gas, which can be Bruker’s Tensor27, Tensor37, or PE’s Spectrum Two, as long as it can provide a resolution of 0.5cm -1 or more, stable performance, wavenumber The upper limit of the range can reach more than 6000cm -1 and the lower limit is less than 600cm -1 ;

连接管路可以是玻璃管、橡胶管、不锈钢管及其它不被多组分被测气体腐蚀的密闭连接管。对与本实施实例,连接管路只要不被有机物腐蚀,管路直径够够埋藏在墙中,能承受0.9~1.2大气压即可;The connecting pipeline can be glass tube, rubber tube, stainless steel tube and other closed connecting tubes that are not corroded by multi-component gas to be measured. For this implementation example, as long as the connecting pipeline is not corroded by organic matter, the diameter of the pipeline is enough to be buried in the wall, and it can withstand 0.9-1.2 atmospheric pressure;

工控机用来从光谱仪中获得毒品气体的吸收光谱,并实现气体的定量分析,以及控制光纤/气路的切换,只要有网口,能进行互联网通信,能发出二进制信号,500M内存,1G主频以上即可,型号不限,可以是普通工控机,也可以是普通个人台式电脑,甚至可以是笔记本电脑;The industrial computer is used to obtain the absorption spectrum of the drug gas from the spectrometer, and realize the quantitative analysis of the gas, and control the switching of the optical fiber/gas circuit. As long as there is a network port, it can perform Internet communication and send binary signals. 500M memory, 1G master frequency or above, the model is not limited, it can be an ordinary industrial computer, it can also be an ordinary personal desktop computer, or even a notebook computer;

电磁换向阀可以是多路的,也可以二通的。如果是前者,他本身起了管路分接头的作用,不再需要管路分接头,如果是后者,则还需要管路分接头。电磁换向阀受工控机控制,以决定将哪一个物理空间的空气抽入到傅里叶变换红外光谱仪的气室中,以对哪个物理空间进行毒品监测;The electromagnetic reversing valve can be multi-way or two-way. If it is the former, he itself has played the role of a pipeline tap, and no longer needs a pipeline tap. If it is the latter, a pipeline tap is also needed. The electromagnetic reversing valve is controlled by the industrial computer to determine which physical space the air is pumped into the air chamber of the Fourier transform infrared spectrometer to monitor which physical space for drugs;

管路分接头用来连接每个物理空间的传输气体的管路与傅里叶变换红外光谱仪气室的输气管路;The pipeline tap is used to connect the pipeline for transporting gas in each physical space and the gas pipeline for the gas chamber of the Fourier transform infrared spectrometer;

抽风泵是用来将各被监测物理空间的气体抽入到傅里叶变换红外光谱仪气室中,同时维持气室的气压在某一确定范围;The exhaust pump is used to draw the gas in each monitored physical space into the air chamber of the Fourier transform infrared spectrometer, while maintaining the air pressure in the air chamber within a certain range;

光纤用来传输光信号,一方面,将傅里叶变换红外光谱仪光信号传输到需要进行毒品在线监测的物理空间,另一方面,将该光信号接收并传输给里叶变换红外光谱仪的光电探测器。光纤只要能传输1μm以上波长的红外光即可,型号不做要求;The optical fiber is used to transmit optical signals. On the one hand, it transmits the optical signal of the Fourier transform infrared spectrometer to the physical space where drug online monitoring is required. On the other hand, it receives and transmits the optical signal to the photoelectric detection of the Fourier transform infrared spectrometer. device. As long as the optical fiber can transmit infrared light with a wavelength above 1 μm, the model is not required;

光纤分路/耦合器只要能将傅里叶变换红外光谱仪的干涉光耦合到光纤中,能将被监测物理空间中被吸收后的红外光耦合到光纤中即可。As long as the optical fiber splitter/coupler can couple the interference light of the Fourier transform infrared spectrometer into the optical fiber, it can couple the absorbed infrared light in the monitored physical space into the optical fiber.

2、软件部分2. Software part

软件在工控机中运行,其功能主要包括抽风泵、光路/气路切换的控制,毒品挥发物,或分解物气体的光谱分析,以及信号的传输。The software runs in the industrial computer, and its functions mainly include the control of the exhaust pump, optical path/gas path switching, spectral analysis of drug volatiles or decomposition gas, and signal transmission.

1)抽风泵的控制1) Control of the suction pump

如果毒品吸食情况红外光谱在线监测系统是气路切换型,则装有抽风泵。抽风泵用来将各被监测物理空间的气体抽入到傅里叶变换红外光谱仪气室中,同时维持气室的气压在某一范围内。该压力根据实际应用来确定,确定的原则是气室中的压力和系统开发过程中制作样气时的压力一致,偏差由用户确定。控制算法可采用PID控制算法:If the infrared spectrum on-line monitoring system for drug abuse is of the gas path switching type, a suction pump is installed. The exhaust pump is used to draw the gas in each monitored physical space into the air chamber of the Fourier transform infrared spectrometer, while maintaining the air pressure in the air chamber within a certain range. The pressure is determined according to the actual application. The determined principle is that the pressure in the gas chamber is consistent with the pressure when the sample gas is produced during the system development process, and the deviation is determined by the user. The control algorithm can adopt PID control algorithm:

Δ=FS-F(1a)Δ=FS-F(1a)

式中C(n)为当前控制量;F为当前测试压力值;FS为维持不会影响前端的生产或安全的压力基准值;Δ(n)、Δ(n-1)分别为基准值与当前压力值、以及前一时刻压力值的差值;pp、pI和pD分别为PID控制中比例环节、积分环节和微分环节系数,它们可以通过PID控制参数调节方法来获得。如果毒品吸食情况红外光谱在线监测系统是光路切换型,则没有本步骤;In the formula, C(n) is the current control quantity; F is the current test pressure value; F S is the pressure reference value that will not affect the production or safety of the front end; Δ(n), Δ(n-1) are the reference values respectively The difference from the current pressure value and the pressure value at the previous moment; p p , pI and p D are the coefficients of the proportional link, integral link and differential link in PID control, respectively, and they can be obtained by adjusting the PID control parameters. If the infrared spectrum online monitoring system for drug abuse is of the optical path switching type, this step is not required;

2)光路/气路的切换2) Switching of optical path/gas path

如果毒品吸食情况红外光谱在线监测系统是气路切换型,所有的气路中,只有一个处于开启状态。当系统处于监测第i个物理空间,需要切换到第i+1个物理空间时,将关闭信号发送至与第i个物理空间管路相连的电磁阀,同时,将开启信号发送至与第i+1个物理空间管路相连的电磁阀。如果毒品吸食情况红外光谱在线监测系统是光路切换型,则将切换信号发送至光纤分路/耦合器,切换方法与气路切换方式相同;If the infrared spectrum on-line monitoring system for drug abuse is of the gas path switching type, only one of all the gas paths is in an open state. When the system is monitoring the i-th physical space and needs to switch to the i+1-th physical space, the closing signal is sent to the solenoid valve connected to the i-th physical space pipeline, and at the same time, the opening signal is sent to the i-th physical space +1 Solenoid valve connected by physical space pipeline. If the infrared spectrum on-line monitoring system for drug abuse is an optical path switching type, the switching signal is sent to the optical fiber splitter/coupler, and the switching method is the same as the gas path switching method;

3)毒品挥发物与分解物气体成分与浓度的光谱分析3) Spectral analysis of gas composition and concentration of drug volatiles and decomposition products

毒品挥发物与分解物气体成分与浓度的光谱分析是本发明的重点。本发明以海洛因为例来说明毒品的光谱分析方法。为便于说明,只考虑海洛因碱和海洛因盐酸盐。海洛因碱和海洛因盐酸盐的吸收光谱图如图3所示。常规的气体成分与浓度的光谱分析是通过分析模型来实现的,分析模型的输入是某些光谱数据经过一定的运算形成的特征变量,输出是目标气体的浓度。由于毒品及其分解物中挥发在空气中的含量较低,因此浓度相对较小,其吸收光谱不会趋于饱和,谱线吸光度的非线性基本不用考虑,特征变量即可当做该毒品成分的分析模型。由于光谱仪器长时间工作过程中,光谱容易发生畸变,因此还需要对畸变进行识别与处理,以获得可靠的、准确的分析结果。因此,光谱分析主要包括各毒品成分的特征变量提取、光谱畸变识别与处理两部分,其中第一个步骤是在系统开发过程完成的,后一个步骤是每次光谱分析都必须完成的步骤。Spectral analysis of drug volatiles and decomposition gas components and concentrations is the key point of the present invention. The present invention uses heroin as an example to illustrate the spectral analysis method of drugs. For illustration, only heroin base and heroin hydrochloride are considered. The absorption spectra of heroin base and heroin hydrochloride are shown in Figure 3. The conventional spectral analysis of gas composition and concentration is realized through an analysis model. The input of the analysis model is the characteristic variable formed by some spectral data after certain operations, and the output is the concentration of the target gas. Since the volatile content of the drug and its decomposition products in the air is low, the concentration is relatively small, and its absorption spectrum will not tend to be saturated. The nonlinear absorbance of the spectral line is basically not considered, and the characteristic variable can be used as the drug component. Analysis model. Due to the long-term working process of the spectrometer, the spectrum is prone to distortion, so it is necessary to identify and process the distortion to obtain reliable and accurate analysis results. Therefore, spectral analysis mainly includes two parts: feature variable extraction of each drug component, spectral distortion identification and processing. The first step is completed in the system development process, and the latter step is a step that must be completed for each spectral analysis.

(1)分析模型建立(1) Analysis model establishment

·样气光谱获取· Sample gas spectrum acquisition

要建立多组分气体的分析模型,首先要制作一定的标定样本。本实施实例中需要分析海洛因碱和海洛因盐酸盐,在给定样本,将其充入傅里叶变换红外光谱仪气室中,首先获得其红外吸收光谱,然后从气室中取少量样气用气相色谱仪进行分析,获得其浓度。To establish an analysis model for multi-component gases, a certain calibration sample must be made first. In this implementation example, it is necessary to analyze heroin base and heroin hydrochloride. In a given sample, fill it into the air chamber of a Fourier transform infrared spectrometer, first obtain its infrared absorption spectrum, and then take a small amount of sample gas from the air chamber for use Analyzed by gas chromatography to obtain its concentration.

·特征变量提取· Feature variable extraction

特征变量提取过程中,可以提取某一谱线作为某种气体的特征变量,也可以某一段光谱的面积作为特征变量,还可以提取多条谱线值的组合作为不同气体的特征变量。对于不同的应用场合,采用的提取方法不同,所选择的特征变量也不同。例如,观察附图3可知,对于海洛因碱和海洛因盐酸盐两种气态毒品的混合气的光谱定量分析,海洛因盐酸盐在2630cm-1处有较强、较宽的吸收峰,而海洛因碱没有,相反,海洛因碱在3060cm-1处有一个较为尖锐的吸收峰,但海洛因盐酸盐没有,因此,这两个吸收峰可以当做区分这两种毒品的特征吸收峰。特征变量选择方法有前向选择法、Tikhonov法、最小二乘法、主成分分析法等,为简单起见,这里采用前向选择法,选取波数为2630cm-1和2135cm-1的两条谱线值的自然对数之差作为海洛因盐酸盐的特征变量:In the process of feature variable extraction, a certain spectral line can be extracted as the characteristic variable of a certain gas, or the area of a certain spectrum can be used as the characteristic variable, and the combination of multiple spectral line values can also be extracted as the characteristic variable of different gases. For different applications, different extraction methods are used, and the selected feature variables are also different. For example, observing accompanying drawing 3, we can know that, for the spectral quantitative analysis of the mixed gas of heroin base and heroin hydrochloride two gaseous drugs, heroin hydrochloride has a stronger and wider absorption peak at 2630cm -1 , while heroin base No, on the contrary, heroin base has a relatively sharp absorption peak at 3060cm -1 , but heroin hydrochloride does not. Therefore, these two absorption peaks can be regarded as characteristic absorption peaks to distinguish the two drugs. Feature variable selection methods include forward selection method, Tikhonov method, least squares method, principal component analysis method, etc. For simplicity, the forward selection method is used here, and two spectral line values with wavenumbers of 2630cm -1 and 2135cm -1 are selected The difference of the natural logarithms of is used as the characteristic variable of heroin hydrochloride:

vm=ln(val2135)-ln(val2630)(2a)v m =ln(val 2135 )-ln(val 2630 )(2a)

3060cm-1、3000cm-1和3140cm-1的谱线值的自然对数差作为海洛因碱的特征变量:The natural logarithm difference of the spectral line values of 3060cm -1 , 3000 cm -1 and 3140cm -1 is used as the characteristic variable of heroin base:

ve=ln(val3000)+ln(val3140)-2×ln(val3060)(2b)v e =ln(val 3000 )+ln(val 3140 )-2×ln(val 3060 )(2b)

式中vm和ve分别表示海洛因盐酸盐和海洛因碱的特征变量,ln(valn)表示波数为n的谱线值的自然对数。这里采用的前向选择法也就是通过观察附图3,比较哪两条谱线的差值形成的特征变量对某一种气体的灵敏度比较高,而对其它气体灵敏度比较低。采用自然对数是因为谱线值是光谱透射率,取自然对数以后形成的特征变量的线性度相对要高。取谱线差作为特征变量是因为这种方法形成的特征变量有利于消除光谱基线平移带来的影响。如果光谱图的纵坐标采用的是吸光度形式,则式(2)中不需要求自然对数,直接用谱线值即可;In the formula, v m and v e represent the characteristic variables of heroin hydrochloride and heroin base respectively, and ln(val n ) represents the natural logarithm of the spectral line value with wave number n. The forward selection method used here is to compare the characteristic variable formed by the difference between the two spectral lines by observing the attached figure 3, which has a higher sensitivity to a certain gas and a lower sensitivity to other gases. The natural logarithm is used because the spectral line value is the spectral transmittance, and the linearity of the characteristic variable formed after taking the natural logarithm is relatively high. The spectral line difference is taken as the characteristic variable because the characteristic variable formed by this method is beneficial to eliminate the influence of spectral baseline shift. If the ordinate of the spectrogram is in the form of absorbance, then there is no need to calculate the natural logarithm in formula (2), just use the spectral line value directly;

(2)光谱分析及光谱畸变识别与处理(2) Spectral analysis and spectral distortion identification and processing

光谱仪长时间工作以后,由于环境参数、光谱仪器件特性发生一定的变化,导致光谱产生一定的畸变,这给分析结果带来严重影响。光谱畸变识别与处理是根据光谱的畸变情况来识别并处理的,以尽可能减小光谱畸变给分析结果带来的影响。同时,光谱畸变的识别与处理必须与光谱分析相互结合,才能获得理想的结果。本应用实例中,将光谱畸变分为基线规则畸变和非规则畸变,对于规则畸变,通过光谱的平移与旋转来实现光谱的校正,而对于非规则畸变,则放弃本次分析,并提示错误,或者给出分析结果可信度。如果连续出现非规则畸变,则重新扫描背景。鉴于长期的毒品在线监测实验易造成空间污染,不是一般性,本实施例采用甲烷、乙烷和丙烷的在线监测为例来说明光谱畸变识别与处理方法。获得的浓度均为1%的单组份气体甲烷、乙烷和丙烷的光谱图如附图4(a)所示,获得的单组份气体10%甲烷、1%乙烷、1%丙烷,以及10%甲烷和2%乙烷的混合气光谱如附图4(b)所示。与式(2)相对应,甲烷、乙烷和丙烷的特征变量分别为:After the spectrometer works for a long time, due to certain changes in environmental parameters and spectrometer device characteristics, the spectrum will be distorted, which will seriously affect the analysis results. Spectral distortion identification and processing are identified and processed according to the spectral distortion, so as to minimize the impact of spectral distortion on the analysis results. At the same time, the identification and processing of spectral distortion must be combined with spectral analysis to obtain ideal results. In this application example, the spectral distortion is divided into baseline regular distortion and irregular distortion. For regular distortion, spectrum correction is realized through spectral translation and rotation. For irregular distortion, this analysis is abandoned and an error is prompted. Or give the credibility of the analysis results. If continuous irregular distortion occurs, rescan the background. In view of the fact that the long-term drug online monitoring experiment is likely to cause space pollution and is not general, this embodiment uses the online monitoring of methane, ethane and propane as an example to illustrate the spectral distortion identification and processing method. The spectrogram of the single-component gas methane, ethane and propane that the concentration that obtains is 1% is as shown in accompanying drawing 4 (a), the single-component gas 10% methane, 1% ethane, 1% propane that obtains, And the mixed gas spectrum of 10% methane and 2% ethane is shown in accompanying drawing 4 (b). Corresponding to formula (2), the characteristic variables of methane, ethane and propane are:

vm=ln(val3022.3)-ln(val3016.5)(3a)v m =ln(val 3022 . 3 )-ln(val 3016 . 5 )(3a)

ve=ln(val3081.2)-ln(val3029.2)(3b)v e =ln(val 3081.2 )-ln(val 3029.2 )(3b)

vp=ln(val3028.0)-ln(val3002.2)(3c)v p =ln(val 3028.0 )-ln(val 3002.2 )(3c)

甲烷、乙烷和丙烷三种气体的浓度计算表达式分别为:The calculation expressions of the concentration of methane, ethane and propane are respectively:

C1=a1vm+a2ve+a3vp(4a)C 1 =a 1 v m +a 2 v e +a 3 v p (4a)

C2=b1vm+b2ve+b3vp(4b)C 2 =b 1 v m +b 2 v e +b 3 v p (4b)

C3=c1vm+c2ve+c3vp(4c)C 3 =c 1 v m +c 2 v e +c 3 v p (4c)

如附图5(a)所示的三个光谱图data1、data2和data3是傅里叶变换红外光谱仪对三组分烷烃气体长期在线监测过程中获得光谱,其光谱分析及光谱畸变识别与处理分别采用如下步骤来实现:The three spectrograms data1, data2 and data3 shown in Figure 5(a) are the spectra obtained during the long-term online monitoring of the three-component alkane gas by the Fourier transform infrared spectrometer, and their spectral analysis and spectral distortion identification and processing are respectively Use the following steps to achieve:

·气体成分与非敏感区搜寻·Gas composition and non-sensitive area search

观察附图4(a)可知,在波数600、1100、2000、2500、3400等处的附近,甲烷、乙烷和丙烷的的灵敏度非常小,称之为非敏感区。对于第i种气体在第j个非敏感区的灵敏度Sij,还可用式(5)确定:Observing the accompanying drawing 4(a), it can be seen that the sensitivity of methane, ethane and propane is very small near wavenumbers 600, 1100, 2000, 2500, 3400, etc., which are called non-sensitive regions. For the sensitivity Si j of the i-th gas in the j-th non-sensitive area, it can also be determined by formula (5):

sij=inv(Yi*Yi')*Yi*(1-Vij)'(5)s ij =inv(Y i *Y i ')*Y i *(1-V ij )'(5)

式中Yi表示第i种气体单组份样本的浓度值向量;Yi'表示向量Yi的转置;Vij=[mean(vij1),mean(vij2),...,mean(vijN)]表示第i种气体单组份样本光谱中第j个非敏感区的谱线均值向量,mean(vijk)(k=1,2,...,N)表示第i种气体第k个单组份样本光谱的第j个非敏感区的若干谱线的均值;inv(·)表示矩阵求逆运算。采用式(3)和甲烷、乙烷、丙烷各自单组份样本在上述5个波数段光谱数据,每个波段选择连续5条谱线求均值,可计算它们的灵敏度系数为:In the formula, Y i represents the concentration value vector of the i-th gas single-component sample; Y i ' represents the transposition of the vector Yi; V ij =[mean(v ij1 ),mean(v ij2 ) ,...,mean( v ijN )] represents the spectral line mean vector of the jth non-sensitive area in the single-component sample spectrum of the i-th gas, and mean(v ijk )(k=1,2,...,N) represents the i-th gas The average value of several spectral lines in the jth non-sensitive area of the kth single-component sample spectrum; inv(·) represents the matrix inversion operation. Using the formula (3) and the spectral data of the single-component samples of methane, ethane, and propane in the above 5 wavenumber bands, and selecting 5 consecutive spectral lines for each band to calculate the average value, their sensitivity coefficients can be calculated as:

S600=[00.0000420.000076];S1100=[0.0000290.0000960.000549]S 600 = [00.0000420.000076]; S 1100 = [0.0000290.0000960.000549]

S2000=[0.0000220.0001510.000331];S2500=[0.0000240.0001710.000352]S 2000 = [0.0000220.0001510.000331]; S 2500 = [0.0000240.0001710.000352]

S3400=[0.0000060.0001300.000281];(6)S 3400 = [0.0000060.0001300.000281]; (6)

·在所有相邻两个非敏感区之间,对光谱段进行平移与旋转,进行基线校正Between all two adjacent non-sensitive areas, the spectral segment is translated and rotated to perform baseline correction

对于上述5个非敏感区,可将整个谱图分为4个区间,对每个区间进行平移与旋转,即可矫正光谱的规则畸变。由于每个谱图由两列构成,第一列是波数值,第二列是与第一列相对应的谱线值,3400、2500、2000、1100和600波数附近所对应的谱线序号依次为273、753、1023、1503、1758。于是,每段非敏感区取5个谱线值求平均偏差,假定待分析的3种气体的浓度向量为C=[C1,C2,C3],可采用如下源代码来实现初次光谱平移与旋转:For the above 5 non-sensitive areas, the entire spectrum can be divided into 4 intervals, and each interval can be translated and rotated to correct the regular distortion of the spectrum. Since each spectrogram consists of two columns, the first column is the wave value, the second column is the spectral line value corresponding to the first column, and the spectral line numbers corresponding to the wave numbers around 3400, 2500, 2000, 1100 and 600 are in order For 273, 753, 1023, 1503, 1758. Therefore, take 5 spectral line values in each non-sensitive area to find the average deviation, assuming that the concentration vector of the three gases to be analyzed is C=[C 1 ,C 2 ,C 3 ], the following source code can be used to realize the initial spectrum Translation and rotation:

Baseline3400=1-mean(data(271:275,2))-S3400C';%求波数3400处的偏差Baseline3400=1-mean(data(271:275,2))-S 3400 C';% Find the deviation at wave number 3400

Baseline2500=1-mean(data(751:755,2))-S2500C';%求波数2500处的偏差Baseline2500=1-mean(data(751:755,2))-S 2500 C';% Find the deviation at wave number 2500

Baserate2500=(Baseline2500-Baseline3400)/(753-273);%求波数2500至3400之间的斜率Baserate2500=(Baseline2500-Baseline3400)/(753-273);% Find the slope between wavenumber 2500 and 3400

data(1:753,2)=data(1:753,2)+Baseline3400+([1:753]'-271)*Baserate2500;%矫正波数2500至3400之间的光谱data(1:753,2)=data(1:753,2)+Baseline3400+([1:753]'-271)*Baserate2500;% correct the spectrum between wavenumber 2500 and 3400

Baseline2000=1-mean(data(1021:1025,2))-S2000C';%求波数2000处的偏差Baseline2000=1-mean(data(1021:1025,2))-S 2000 C';% Find the deviation at wave number 2000

Baserate2000=(Baserate2000-Baserate2500)/(1023-753);%求波数2000至2500之间的斜率Baserate2000=(Baserate2000-Baserate2500)/(1023-753);% Find the slope between wavenumber 2000 and 2500

data(754:1023,2)=data(754:1023,2)+Baseline2500+([754:1023]'-753)*Baserate2000;%矫正波数2500至3400之间的光谱data(754:1023,2)=data(754:1023,2)+Baseline2500+([754:1023]'-753)*Baserate2000;% correct the spectrum between wavenumber 2500 and 3400

Baseline1100=1-mean(data(1501:1505,2))–S1100C';%求波数1100处的偏差Baseline1100=1-mean(data(1501:1505,2))–S 1100 C';% Find the deviation at wave number 1100

Baserate1100=(Baseline1100-Baseline2000)/(1503-1023);%求波数1100至2000之间的斜率Baserate1100=(Baseline1100-Baseline2000)/(1503-1023);% Find the slope between wavenumber 1100 and 2000

data(1024:1503,2)=data(1024:1503,2)+Baseline2000+([1024:1503]'-1023)*Baserate1100;%矫正波数1100至2000之间的光谱data(1024:1503,2)=data(1024:1503,2)+Baseline2000+([1024:1503]'-1023)*Baserate1100;% correct the spectrum between wavenumber 1100 and 2000

Baseline600=1-mean(data(1756:1760,2))–S600C';%求波数1100处的偏差Baseline600=1-mean(data(1756:1760,2))–S 600 C';% Find the deviation at wave number 1100

Baserate600=(Baseline600-Baseline1100)/(1758-1503);%求波数600至1100之间的斜率Baserate600=(Baseline600-Baseline1100)/(1758-1503);% Find the slope between wavenumber 600 and 1100

data(1504:1866,2)=data(1504:1866,2)+Baseline1100+([1504:1866]'-1503)*Baserate600;%矫正波数600至1100之间的光谱data(1504:1866,2)=data(1504:1866,2)+Baseline1100+([1504:1866]'-1503)*Baserate600;% correct the spectrum between wavenumber 600 and 1100

在连续的在线光谱分析过程中,上述源代码中的气体浓度向量C设定为上一次的分析结果。如果是第一次分析,则将其设置为0。对于本实施实例中的附图5(a),有三个光谱图:data1、data2和data3。比较附图5(a)和附图4(a)可知,既然波数2900处附近没有强的吸收峰,说明这三个谱图所表征的气体中,各种烷烃的浓度很小,因此,在波数800到波数1100,以及在2500波数到3400波数范围内,几乎是一条幅值为1的直线。但附图5(a)中,波数800到波数1100的光谱段的光谱值明显大于1,而且稍有倾斜,在2500波数到3400波数范围内的光谱段明显小于1,其倾斜程度比波数800到波数1100的光谱段稍大,因此存在基线规则畸变,需要进行校正。设置气体浓度向量C为0,采用本步骤的源代码进行校正后得到的光谱图如附图5(b)所示;During the continuous online spectral analysis process, the gas concentration vector C in the above source code is set as the last analysis result. If it is the first analysis, set it to 0. For the accompanying drawing 5(a) in this implementation example, there are three spectrograms: data1, data2 and data3. Comparing accompanying drawing 5(a) with accompanying drawing 4(a), since there is no strong absorption peak near the wave number 2900, it shows that in the gases represented by these three spectra, the concentration of various alkanes is very small, therefore, in From wavenumber 800 to wavenumber 1100, and in the range from 2500 wavenumber to 3400 wavenumber, it is almost a straight line with an amplitude of 1. But in Figure 5(a), the spectral value of the spectral segment from wavenumber 800 to wavenumber 1100 is obviously greater than 1, and it is slightly inclined. The spectral segment to wavenumber 1100 is slightly larger, so there is a baseline regular distortion that needs to be corrected. Set the gas concentration vector C to 0, and use the source code of this step to correct the spectrogram obtained after correction as shown in Figure 5 (b);

·用标定的分析模型对校正后的光谱进行分析,获取气体组分及其浓度Use the calibrated analysis model to analyze the corrected spectrum to obtain gas components and their concentrations

分别把如附图5(b)所示的data1、data2和data3光谱代入式(3)中,计算各自的特征变量值vm、ve和vp,并根据式(4)计算各自的浓度。Substitute the spectra of data1, data2 and data3 shown in Figure 5(b) into formula (3) respectively, calculate the respective characteristic variable values v m , v e and v p , and calculate the respective concentrations according to formula (4) .

C1=[0.01960.00320.0017]; C1 = [0.01960.00320.0017];

C2=[0.00710.00120.0003];(7) C2 = [0.00710.00120.0003]; (7)

C3=[0.04730.00210.0023];C3 = [0.04730.00210.0023];

如果部分气体浓度较大,则用最新计算的气体浓度值代入前述光谱校正步骤中,重新对光谱进行校正,直到该步骤中任何一个非敏感区的相邻两次偏差值之差小于某个阈值。各非敏感区的阈值设定为该波数段光谱的噪声幅度。由于本实施实例中各组分气体浓度很小,因此由该步骤校正一次即可,而且式(4)的结果可以当做最终分析结果。If part of the gas concentration is relatively large, use the latest calculated gas concentration value to substitute into the previous spectral correction step, and re-correct the spectrum until the difference between the two adjacent deviation values of any non-sensitive area in this step is less than a certain threshold . The threshold of each non-sensitive area is set as the noise amplitude of the spectrum in this wavenumber band. Since the gas concentration of each component in this implementation example is very small, it is enough to correct once by this step, and the result of formula (4) can be regarded as the final analysis result.

·由分析得到的气体组分及其浓度重构光谱Reconstruct the spectrum from the analyzed gas components and their concentrations

为重构光谱,首先需要估算各谱线的折算吸光率,即吸光率与光谱仪光程乘积。第i种气体的第j个单组份样本在第k条谱线的折算吸光率为:In order to reconstruct the spectrum, it is first necessary to estimate the converted absorbance of each spectral line, that is, the product of the absorbance and the optical path of the spectrometer. The converted absorbance of the j-th single-component sample of the i-th gas at the k-th spectral line is:

δik,j=-log(vikj)/ci,j(8)δ ik,j =-log(v ikj )/c i , j (8)

式中vikj表示第i种气体的第j个单组份样本在第k条谱线的光谱值;log(·)表示自然对数运算;ci,j表示第i种气体的第j个单组份样本浓度。如果第i种气体的浓度计算值为ci,x,且ci,j<ci,x≤ci,j+1,j=1,2,...,N-1,则第k条谱线处,该种气体的折算吸光率为:In the formula, v ikj represents the spectral value of the j-th single-component sample of the i-th gas at the k-th spectral line; log( ) means the natural logarithm operation; c i,j means the j-th spectral value of the i-th gas One-component sample concentration. If the calculated concentration value of the i-th gas is ci,x, and ci, j <ci, x ≤ci ,j+1 , j=1,2,...,N-1, then the k-th At the spectral line, the converted absorbance of the gas is:

rate=(ci,x-ci,j)/(ci,j+1-ci,j)(9a)rate=(c i,x -c i,j )/(c i,j+1 -c i,j )(9a)

δikx=(1-rate)×δik,j+rate×δik,j+1(9b)δ ikx =(1-rate)×δ ik,j +rate×δ ik,j+1 (9b)

为缩短计算时间,可以只重构光谱中目标气吸峰及其附近的光谱段。本实施例中,只需重构波数段700~1300和2800~3200即可。为简单起见,本实施例中以第579条谱线(对应于波数2881.5)处的谱线的重构来说明谱线的重构方法。由于在小浓度情况下,各组分气体的折算吸光率几乎不随气体浓度变化而变化,因此本实施例中的各组分气体的折算吸光率直接采用0.1%浓度时的折算吸光率即可。例如,0.1%浓度正戊烷单组份样本在第579条谱线(对应于波数2881.5)处的谱线值为0.9462,故其折算吸光率由式(10)计算得到:In order to shorten the calculation time, only the target gas suction peak and its nearby spectral segments in the spectrum can be reconstructed. In this embodiment, only the wavenumber segments 700-1300 and 2800-3200 need to be reconstructed. For the sake of simplicity, in this embodiment, the spectral line reconstruction method at the 579th spectral line (corresponding to wavenumber 2881.5) is used to illustrate the spectral line reconstruction method. Since in the case of small concentrations, the converted absorbance of each component gas hardly changes with the change of gas concentration, so the converted absorbance of each component gas in this embodiment can directly use the converted absorbance at 0.1% concentration. For example, the value of the spectral line at the 579th spectral line (corresponding to wave number 2881.5) of a single-component sample of 0.1% n-pentane is 0.9462, so its converted absorbance is calculated by formula (10):

δ7,579,4=-log(0.9462)/0.1=0.5530(10)δ 7,579,4 =-log(0.9462)/0.1=0.5530(10)

以此类推,可求得3组分气体在579条谱线的折算吸光率并构成向量Δ得到:By analogy, the converted absorbance of the three-component gas at 579 spectral lines can be obtained and the vector Δ is formed to obtain:

Δ=[0.02000.14100.5393](11)Δ=[0.02000.14100.5393](11)

由式(7)和(11)根据Lambert-Beer定理可分别求得data1、data2和data3三个谱图在第579条谱线出的重构光谱值分别为:From the formulas (7) and (11) according to the Lambert-Beer theorem, the reconstructed spectral values of the 579th spectral line of data1, data2 and data3 can be obtained respectively as follows:

v1,579=exp(-C1Δ')=0.9982v 1,579 =exp(-C 1 Δ')=0.9982

v2,579=exp(-C2Δ')=0.9995v 2,579 =exp(-C 2 Δ')=0.9995

v3,579=exp(-C3Δ')=0.9974v 3,579 =exp(-C 3 Δ')=0.9974

以此类推,可求得每条谱线的重构谱线值。于是,对于附图5(a)中的data1、data2和data3,校正前、后,以及重构的光谱分别如附图5(c)、5(d)和5(e)所示。By analogy, the reconstructed spectral line value of each spectral line can be obtained. Therefore, for data1, data2 and data3 in Fig. 5(a), the spectra before, after correction and reconstruction are shown in Figs. 5(c), 5(d) and 5(e) respectively.

·光谱畸变识别与处理· Spectral distortion identification and processing

对于光谱的规则畸变,前述步骤其实已经对光谱做了校正,本步骤用来识别光谱的非规则局部畸变,并根据识别结果做出合理处理。For the regular distortion of the spectrum, the previous steps have actually corrected the spectrum. This step is used to identify the irregular local distortion of the spectrum, and make reasonable processing according to the identification results.

观察附图5(c)中光谱可以发现,在波数1060附近,修正后的data1光谱值明显超出1.0020,实质上,该处的噪声幅度只有0.0015左右,因此data1光谱可能存在局部畸变,该次分析结果偏差可能比较大,如有可能,需要重新扫描背景,以获得较好的分析结果;观察附图5(d)可以发现,在波数1045附近,修正后的data2光谱的光谱值已近达到1.0020,因此data2光谱可能也存在局部畸变;观察附图5(e)可以发现,修正后的data3光谱的光谱值最大也不过1.0010左右,因此data3是没有发生局部畸变的良好光谱,用标定模型对该光谱进行分析,其可信度是很高的。实质上,由附图5(b)可以看出,在波数1000到1200范围内,data1和data2的光谱呈频率不等的纹波状,这本身就是光谱局部畸变的一种表现。Observing the spectrum in Figure 5(c), it can be found that the corrected data1 spectrum value is significantly higher than 1.0020 near the wavenumber 1060. In essence, the noise amplitude here is only about 0.0015, so there may be local distortion in the data1 spectrum. This analysis The deviation of the result may be relatively large. If possible, the background needs to be re-scanned to obtain a better analysis result; observing the accompanying drawing 5(d), it can be found that the spectral value of the corrected data2 spectrum has almost reached 1.0020 near the wave number 1045 , so there may also be local distortion in the data2 spectrum; observing Figure 5(e), it can be found that the maximum spectral value of the corrected data3 spectrum is only about 1.0010, so data3 is a good spectrum without local distortion, and the calibration model is used for this The reliability of the spectrum analysis is very high. In essence, it can be seen from Fig. 5(b) that within the wavenumber range of 1000 to 1200, the spectra of data1 and data2 are ripples with different frequencies, which itself is a manifestation of local spectral distortion.

当然,在基于计算机的智能识别中,不可能通过人工观察来识别,需要通过软件来识别。对于本步骤,只需要比较所感兴趣的波数段范围内重构光谱与修正光谱的差别,如果修正光谱值大于对应的重构光谱的数值大于噪声水平,则可能存在局部畸变。差值越大,畸变程度越大。如果差值过大,则放弃当次分析结果,并提示出错;如果差值在一定容许范围,不足以产生大的影响,则继续工作;则如果连续出现光谱局部非规则畸变,则重新扫描背景。Of course, in computer-based intelligent identification, it is impossible to identify by manual observation, and it needs to be identified by software. For this step, it is only necessary to compare the difference between the reconstructed spectrum and the corrected spectrum within the wavenumber range of interest. If the value of the corrected spectrum is greater than the value of the corresponding reconstructed spectrum and greater than the noise level, there may be local distortion. The larger the difference, the greater the distortion. If the difference is too large, the current analysis result will be discarded, and an error will be prompted; if the difference is within a certain allowable range, not enough to have a large impact, continue to work; if there are continuous local irregular distortions in the spectrum, re-scan the background .

4)决策4) Decision making

若从光谱分析结果中可以判断某一个被监测物理空间可能存在一种或多种毒品,则通过短信或互联网,通知公安机关,通知内容包括可能得毒品名称、场所地点、宾馆/KTV名称、房间号。If it can be judged from the spectral analysis results that there may be one or more drugs in a certain monitored physical space, the public security agency will be notified through text messages or the Internet. No.

以上内容是结合具体的优选实施方式对本发明所作的进一步详细说明,不能认定本发明的具体实施方式仅限于此,对于本发明所属技术领域的普通技术人员来说,在不脱离本发明构思的前提下,还可以做出若干简单的推演或替换,都应当视为属于本发明由所提交的权利要求书确定专利保护范围。The above content is a further detailed description of the present invention in conjunction with specific preferred embodiments. It cannot be determined that the specific embodiments of the present invention are limited thereto. Under the circumstances, some simple deduction or replacement can also be made, all of which should be regarded as belonging to the scope of patent protection determined by the submitted claims of the present invention.

Claims (6)

1.一种毒品吸食情况红外光谱在线监测系统,其特征在于,包括若干电磁换向阀、傅里叶变换红外光谱仪、抽气泵和工控机;其中,若干电磁换向阀的进气口设置在相应的若干被监测物理空间内,若干电磁换向阀的出气口分别与傅里叶变换红外光谱仪的气室入口相连通,工控机用于在同一时间内选择其中一个电磁换向阀工作,抽气泵用于将被监测物理空间的气体抽至傅里叶变换红外光谱仪的气室,傅里叶变换红外光谱仪将被监测物理空间气体的吸光度光谱数据和透射率光谱数据传输给工控机;傅里叶变换红外光谱仪还用于光谱仪气室背景扫描,并通过光谱畸变识别与处理结合气室切换,解决干扰严重的问题。1. An infrared spectrum online monitoring system for taking drugs is characterized in that it comprises some electromagnetic reversing valves, a Fourier transform infrared spectrometer, an air pump and an industrial computer; wherein, the air inlets of some electromagnetic reversing valves are arranged on In the corresponding monitored physical spaces, the air outlets of several electromagnetic reversing valves are respectively connected with the inlets of the gas chambers of the Fourier transform infrared spectrometer. The industrial computer is used to select one of the electromagnetic reversing valves to work at the same time. The air pump is used to pump the gas in the monitored physical space to the gas chamber of the Fourier transform infrared spectrometer, and the Fourier transform infrared spectrometer transmits the absorbance spectral data and transmittance spectral data of the gas in the monitored physical space to the industrial computer; The leaf-transform infrared spectrometer is also used for background scanning of the gas chamber of the spectrometer, and through spectral distortion identification and processing combined with gas chamber switching, the problem of serious interference is solved. 2.一种毒品吸食情况红外光谱在线监测方法,其特征在于,该方法基于权利要求1所述的一种毒品吸食情况红外光谱在线监测系统,包括以下步骤:2. An infrared spectrum online monitoring method for drug taking, characterized in that, the method is based on the infrared spectrum online monitoring system for drug taking according to claim 1, comprising the following steps: 1)在同一时间内,工控机选择其中一个电磁换向阀工作,抽气泵通过该电磁换向阀将与该电磁换向阀对应的一个被监测物理空间的空气抽至傅里叶变换红外光谱仪气室进行在线分析,得到被监测物理空间气体的吸光度光谱数据和透射率光谱数据;1) At the same time, the industrial computer selects one of the electromagnetic reversing valves to work, and the air pump pumps the air in a monitored physical space corresponding to the electromagnetic reversing valve to the Fourier transform infrared spectrometer through the electromagnetic reversing valve The gas chamber conducts online analysis to obtain the absorbance spectrum data and transmittance spectrum data of the gas in the monitored physical space; 2)傅里叶变换红外光谱仪将被监测物理空间气体的吸光度光谱数据和透射率光谱数据传输给工控机,工控机将被监测物理空间气体的吸光度光谱数据和透射率光谱数据与预设的若干种毒品气体的吸收光谱数据比较,若被监测物理空间气体的吸光度光谱数据均大于等于一种或多种预设毒品气体的吸收光谱预设值,或者若被监测物理空间气体的透射率光谱数据小于等于一种或多种预设毒品气体的吸收光谱预设值,则工控机发出警示信号;若被监测物理空间气体的吸光度光谱数据或透射率光谱数据没有达到任何一种预设毒品气体的吸收光谱预设值,则工控机选择另一个电磁换向阀工作;2) The Fourier transform infrared spectrometer transmits the absorbance spectrum data and transmittance spectrum data of the gas in the monitored physical space to the industrial computer, and the industrial computer compares the absorbance spectrum data and transmittance spectrum data of the gas in the monitored physical space with the preset number Compared with the absorption spectrum data of a drug gas, if the absorbance spectrum data of the gas in the monitored physical space is greater than or equal to the preset value of the absorption spectrum of one or more preset drug gases, or if the transmittance spectrum data of the gas in the monitored physical space If it is less than or equal to the preset value of the absorption spectrum of one or more preset drug gases, the industrial computer will send out a warning signal; Absorption spectrum preset value, then the industrial computer selects another electromagnetic reversing valve to work; 其中,傅里叶变换红外光谱仪进行光谱分析,包括各毒品成分的特征变量提取和光谱畸变识别与处理两部分,特征变量提取过程中,提取某一谱线作为某种气体的特征变量,提取某一段光谱的面积作为特征变量,或者提取多条谱线值的组合作为不同气体的特征变量,光谱畸变识别与处理与光谱分析相互结合,根据光谱的畸变情况来识别并处理的,以减小光谱畸变给分析结果带来的影响,光谱畸变分为基线规则畸变和非规则畸变,对于规则畸变,通过光谱的平移与旋转来实现光谱的校正,而对于非规则畸变,则放弃本次分析,并提示错误,或者给出分析结果可信度,如果连续出现非规则畸变,则重新扫描背景。Among them, Fourier transform infrared spectrometer performs spectral analysis, including two parts: characteristic variable extraction of each drug component and spectral distortion identification and processing. In the process of characteristic variable extraction, a certain spectral line is extracted as a characteristic variable of a certain gas, and a certain The area of a spectrum is used as a characteristic variable, or the combination of multiple spectral line values is extracted as a characteristic variable of different gases. The identification and processing of spectral distortion is combined with spectral analysis, and is identified and processed according to the distortion of the spectrum to reduce the spectral distortion. The impact of distortion on the analysis results. Spectral distortion is divided into baseline regular distortion and irregular distortion. For regular distortion, the spectrum is corrected by shifting and rotating the spectrum. For irregular distortion, this analysis is abandoned and Prompt an error, or give the reliability of the analysis result, if continuous irregular distortion occurs, re-scan the background. 3.一种毒品吸食情况红外光谱在线监测系统,其特征在于,包括若干抽气泵、傅里叶变换红外光谱仪和工控机;其中,若干抽气泵的进气口设置在相应的若干被监测物理空间内,若干抽气泵的出气口分别与傅里叶变换红外光谱仪的气室入口相连通,工控机用于在同一时间内选择其中一个抽气泵工作,傅里叶变换红外光谱仪将被监测物理空间气体的吸光度光谱数据和透射率光谱数据传输给工控机;傅里叶变换红外光谱仪还用于光谱仪气室背景扫描,并通过光谱畸变识别与处理结合气室切换,解决干扰严重的问题。3. An infrared spectrum online monitoring system for taking drugs is characterized in that it includes several air pumps, Fourier transform infrared spectrometers and industrial computers; wherein, the air inlets of some air pumps are arranged in corresponding physical spaces to be monitored Inside, the gas outlets of several air pumps are respectively connected with the gas chamber inlets of the Fourier transform infrared spectrometer. The industrial computer is used to select one of the air pumps to work at the same time. The absorbance spectral data and transmittance spectral data are transmitted to the industrial computer; the Fourier transform infrared spectrometer is also used for background scanning of the gas chamber of the spectrometer, and through spectral distortion identification and processing combined with gas chamber switching, the problem of serious interference is solved. 4.一种毒品吸食情况红外光谱在线监测方法,其特征在于,该方法基于权利要求3所述的一种毒品吸食情况红外光谱在线监测系统,包括以下步骤:4. An infrared spectrum online monitoring method for drug abuse, characterized in that the method is based on the infrared spectrum online monitoring system for drug abuse according to claim 3, comprising the following steps: 1)在同一时间内,工控机选择其中一个抽气泵工作,该抽气泵将其监测物理空间的空气抽至傅里叶变换红外光谱仪气室进行在线分析,得到被监测物理空间气体的吸光度光谱数据和透射率光谱数据;1) At the same time, the industrial computer selects one of the air pumps to work, and the air pump pumps the air in the monitored physical space to the gas chamber of the Fourier transform infrared spectrometer for online analysis, and obtains the absorbance spectral data of the gas in the monitored physical space and transmittance spectral data; 2)傅里叶变换红外光谱仪将被监测物理空间气体的吸光度光谱数据和透射率光谱数据传输给工控机,工控机将被监测物理空间气体的吸光度光谱数据和透射率光谱数据与预设的若干种毒品气体的吸收光谱数据比较,若被监测物理空间气体的吸光度光谱数据均大于等于一种或多种预设毒品气体的吸收光谱预设值,或者若被监测物理空间气体的透射率光谱数据小于等于一种或多种预设毒品气体的吸收光谱预设值,则工控机发出警示信号;若被监测物理空间气体的吸光度光谱数据或透射率光谱数据没有达到任何一种预设毒品气体的吸收光谱预设值,则工控机选择另一个抽气泵工作;2) The Fourier transform infrared spectrometer transmits the absorbance spectrum data and transmittance spectrum data of the gas in the monitored physical space to the industrial computer, and the industrial computer compares the absorbance spectrum data and transmittance spectrum data of the gas in the monitored physical space with the preset number Compared with the absorption spectrum data of a drug gas, if the absorbance spectrum data of the gas in the monitored physical space is greater than or equal to the preset value of the absorption spectrum of one or more preset drug gases, or if the transmittance spectrum data of the gas in the monitored physical space If it is less than or equal to the preset value of the absorption spectrum of one or more preset drug gases, the industrial computer will send out a warning signal; Absorption spectrum preset value, then the industrial computer selects another pump to work; 其中,傅里叶变换红外光谱仪进行光谱分析,包括各毒品成分的特征变量提取和光谱畸变识别与处理两部分,特征变量提取过程中,提取某一谱线作为某种气体的特征变量,提取某一段光谱的面积作为特征变量,或者提取多条谱线值的组合作为不同气体的特征变量,光谱畸变识别与处理与光谱分析相互结合,根据光谱的畸变情况来识别并处理的,以减小光谱畸变给分析结果带来的影响,光谱畸变分为基线规则畸变和非规则畸变,对于规则畸变,通过光谱的平移与旋转来实现光谱的校正,而对于非规则畸变,则放弃本次分析,并提示错误,或者给出分析结果可信度,如果连续出现非规则畸变,则重新扫描背景。Among them, Fourier transform infrared spectrometer performs spectral analysis, including two parts: characteristic variable extraction of each drug component and spectral distortion identification and processing. In the process of characteristic variable extraction, a certain spectral line is extracted as a characteristic variable of a certain gas, and a certain The area of a spectrum is used as a characteristic variable, or the combination of multiple spectral line values is extracted as a characteristic variable of different gases. The identification and processing of spectral distortion is combined with spectral analysis, and is identified and processed according to the distortion of the spectrum to reduce the spectral distortion. The impact of distortion on the analysis results. Spectral distortion is divided into baseline regular distortion and irregular distortion. For regular distortion, the spectrum is corrected by shifting and rotating the spectrum. For irregular distortion, this analysis is abandoned and Prompt an error, or give the reliability of the analysis result, if continuous irregular distortion occurs, re-scan the background. 5.一种毒品吸食情况红外光谱在线监测系统,其特征在于,包括若干组光纤分路与耦合器、傅里叶变换红外光谱仪和工控机;其中,若干组光纤分路与耦合器设置在相应的若干被监测物理空间内,且每一组光纤分路与耦合器将其在相应的被监测物理空间被吸收的干涉光耦合到傅里叶变换红外光谱仪光源,工控机用于在同一时间内选择其中一组光纤分路与耦合器工作,傅里叶变换红外光谱仪将被监测物理空间的吸光度光谱数据和透射率光谱数据传输给工控机;傅里叶变换红外光谱仪还用于光谱仪气室背景扫描,并通过光谱畸变识别与处理结合气室切换,解决干扰严重的问题。5. An infrared spectrum on-line monitoring system for taking drugs is characterized in that it includes several groups of optical fiber shunts and couplers, Fourier transform infrared spectrometers and industrial computers; wherein, several groups of optical fiber shunts and couplers are arranged in corresponding In several monitored physical spaces, each group of optical fiber splitters and couplers couples the interference light absorbed in the corresponding monitored physical space to the light source of the Fourier transform infrared spectrometer, and the industrial computer is used at the same time Select one of the optical fiber splitters to work with the coupler, and the Fourier transform infrared spectrometer will transmit the absorbance spectral data and transmittance spectral data of the monitored physical space to the industrial computer; the Fourier transform infrared spectrometer is also used for the gas chamber background of the spectrometer Scanning, and through spectral distortion identification and processing combined with gas chamber switching, solves the problem of serious interference. 6.一种毒品吸食情况红外光谱在线监测方法,其特征在于,该方法基于权利要求5所述的一种毒品吸食情况红外光谱在线监测系统,包括以下步骤:6. An infrared spectrum online monitoring method for drug abuse, characterized in that the method is based on the infrared spectrum online monitoring system for drug abuse according to claim 5, comprising the following steps: 1)在同一时间内,工控机选择一组光纤分路与耦合器工作,该组光纤分路与耦合器将其监测物理空间被吸收的干涉光耦合到傅里叶变换红外光谱仪光源进行在线分析,得到被监测物理空间气体的吸光度光谱数据和透射率光谱数据;1) At the same time, the industrial computer selects a group of optical fiber splitters and couplers to work, and the group of optical fiber splitters and couplers couples the absorbed interference light in the monitored physical space to the light source of the Fourier transform infrared spectrometer for online analysis , to obtain the absorbance spectrum data and transmittance spectrum data of the monitored physical space gas; 2)傅里叶变换红外光谱仪将被监测物理空间气体的吸光度光谱数据和透射率光谱数据传输给工控机,工控机将被监测物理空间气体的吸光度光谱数据和透射率光谱数据与预设的若干种毒品气体的吸收光谱数据比较,若被监测物理空间气体的吸光度光谱数据均大于等于一种或多种预设毒品气体的吸收光谱预设值,或者若被监测物理空间气体的透射率光谱数据小于等于一种或多种预设毒品气体的吸收光谱预设值,则工控机发出警示信号;若被监测物理空间气体的吸光度光谱数据或透射率光谱数据没有达到任何一种预设毒品气体的吸收光谱预设值,则工控机选择另一组光纤分路与耦合器工作;2) The Fourier transform infrared spectrometer transmits the absorbance spectrum data and transmittance spectrum data of the gas in the monitored physical space to the industrial computer, and the industrial computer compares the absorbance spectrum data and transmittance spectrum data of the gas in the monitored physical space with the preset number Compared with the absorption spectrum data of a drug gas, if the absorbance spectrum data of the gas in the monitored physical space is greater than or equal to the preset value of the absorption spectrum of one or more preset drug gases, or if the transmittance spectrum data of the gas in the monitored physical space If it is less than or equal to the preset value of the absorption spectrum of one or more preset drug gases, the industrial computer will send out a warning signal; Absorption spectrum preset value, then the industrial computer selects another group of optical fiber branch and coupler to work; 其中,傅里叶变换红外光谱仪进行光谱分析,包括各毒品成分的特征变量提取和光谱畸变识别与处理两部分,特征变量提取过程中,提取某一谱线作为某种气体的特征变量,提取某一段光谱的面积作为特征变量,或者提取多条谱线值的组合作为不同气体的特征变量,光谱畸变识别与处理与光谱分析相互结合,根据光谱的畸变情况来识别并处理的,以减小光谱畸变给分析结果带来的影响,光谱畸变分为基线规则畸变和非规则畸变,对于规则畸变,通过光谱的平移与旋转来实现光谱的校正,而对于非规则畸变,则放弃本次分析,并提示错误,或者给出分析结果可信度,如果连续出现非规则畸变,则重新扫描背景。Among them, Fourier transform infrared spectrometer performs spectral analysis, including two parts: characteristic variable extraction of each drug component and spectral distortion identification and processing. In the process of characteristic variable extraction, a certain spectral line is extracted as a characteristic variable of a certain gas, and a certain The area of a spectrum is used as a characteristic variable, or the combination of multiple spectral line values is extracted as a characteristic variable of different gases. The identification and processing of spectral distortion is combined with spectral analysis, and is identified and processed according to the distortion of the spectrum to reduce the spectral distortion. The impact of distortion on the analysis results. Spectral distortion is divided into baseline regular distortion and irregular distortion. For regular distortion, the spectrum is corrected by shifting and rotating the spectrum. For irregular distortion, this analysis is abandoned and Prompt an error, or give the reliability of the analysis result, if continuous irregular distortion occurs, re-scan the background.
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