Substance detection method, substance detection device and ion mobility spectrometry equipment

Abstract

The invention relates to the technical field of substance detection, and provides a substance detection method, a substance detection device and ion mobility spectrometry equipment. The method comprises the following steps: if it is determined that a to-be-detected sample enters an ionization region, controlling each corona ionization source to operate in sequence according to a corresponding initial operation mode based on preset operation setting, and obtaining initial mobility spectrometry data of each corona ionization source; determining a target operation mode corresponding to each corona ionization source based on the analysis of the multiple groups of initial migration spectrum data; based on preset operation setting, controlling each corona ionization source to operate in sequence according to the corresponding target operation mode to obtain target migration spectrum data of each corona ionization source; and identifying spectrum peak characteristics of the multiple groups of target migration spectrum data to obtain a component detection result of the to-be-detected sample. By adopting the design of the multi-path corona ionization source, the ionization efficiency and the resolution ratio of the ion mobility spectrometry are improved, and effective detection and distinguishing of different to-be-detected substances or difficult-to-distinguish substances are realized.

Description

Technical Field

[0001] The present invention relates to the technical field of material detection, and in particular to a material detection method, a material detection device and an ion migration spectrometry device. Background Art

[0002] Among the related technologies, ion mobility spectrometry, as an important analytical detection technology, has been widely used in the fields of chemical substance detection, environmental monitoring, security inspection, etc. On the one hand, the traditional ion mobility spectrometry equipment has a short single ionization time and cannot achieve a step-by-step change in voltage within the ionization time, making it difficult to fully ionize various substances in the sample, resulting in incomplete ionization of some substances, thus affecting the accuracy and sensitivity of the detection; on the other hand, since there is only one ionization mode for one ionization, it is impossible to effectively distinguish substances with similar or difficult-to-distinguish ionization characteristics in a complex mixture by changing the ionization conditions, which makes the ion mobility spectrometry insufficient in terms of resolution and difficult to meet the needs of fine analysis of complex samples. Summary of the invention

[0003] In view of this, the present invention provides a material detection method, a material detection device and an ion mobility spectrometry device to solve the problem that the ion mobility spectrometry in the related art is insufficient in resolution and is difficult to meet the needs of fine analysis of complex samples.

[0004] In a first aspect, the present invention provides a substance detection method, which is applied to an ion mobility spectrometer, wherein an ionization region of the ion mobility spectrometer is provided with a plurality of corona ionization sources, and the method comprises:

[0005] If it is determined that the sample to be tested enters the ionization zone, based on the preset operation settings, each corona ionization source is controlled to operate in accordance with the corresponding initial operation mode in sequence to obtain initial migration spectrum data of each corona ionization source; the preset operation settings are used to characterize the operation time and / or operation order of each corona ionization source; the initial operation mode is determined based on the obtained initial migration spectrum data;

[0006] Determining a target operating mode corresponding to each of the corona ionization sources based on an analysis of the plurality of groups of initial migration spectrum data;

[0007] Based on the preset operation setting, controlling each of the corona ionization sources to operate in sequence according to a corresponding target operation mode to obtain target migration spectrum data of each of the corona ionization sources;

[0008] The peak features of the multiple groups of the target migration spectrum data are identified to obtain the component detection results of the sample to be tested.

[0009] Beneficial effects: By adopting the design of multi-channel corona ionization source, the ionization efficiency and resolution of ion mobility spectrometry are improved, and effective detection and differentiation of different analytes or substances that are difficult to distinguish are achieved.

[0010] In an optional embodiment, the initial operation mode includes an initial starting voltage, an initial operation time, and an initial voltage change mode; based on the preset operation settings, each corona ionization source is controlled to operate according to the corresponding initial operation mode to obtain initial migration spectrum data of each corona ionization source, including:

[0011] Controlling the first corona ionization source to start at a first initial starting voltage;

[0012] According to a first initial voltage variation mode, controlling the first corona ionization source to operate for a first initial operation time to obtain initial migration spectrum data of the first corona ionization source;

[0013] Controlling the first corona ionization source to be turned off, and controlling the second corona ionization source to be turned on with a second initial starting voltage;

[0014] According to the second initial voltage variation mode, the second corona ionization source is controlled to operate for a second initial operation time to obtain initial migration spectrum data of the second corona ionization source.

[0015] Beneficial effects: In this way, the present invention can not only effectively utilize multiple corona ionization sources to improve detection efficiency and resolution, but also provide more refined and accurate results when facing complex samples. This method is suitable for a variety of application scenarios, especially those that require high sensitivity and high resolution detection.

[0016] In an optional embodiment, the initial operation mode is determined by:

[0017] acquiring initial migration spectrum data and initial operation mode of the third corona ionization source;

[0018] Based on the analysis of the initial migration spectrum data of the third corona ionization source, the initial operation mode of the third corona ionization source is adjusted to obtain the initial operation mode of the fourth corona ionization source; the fourth corona ionization source is a corona ionization source that operates after the third corona ionization source.

[0019] Beneficial effects: In this way, the present invention provides a flexible and efficient mechanism to gradually optimize the operating mode of each corona ionization source, thereby significantly improving the performance of ion mobility spectrometry in complex sample analysis. This method is not only applicable to the adjustment between two consecutive ionization sources, but can also be extended to the determination of the operating mode of all ionization sources in the entire system, ensuring that each ionization source can work under its optimal conditions and improving the efficiency and accuracy of the overall system.

[0020] In an optional embodiment, the initial operation mode is determined by:

[0021] According to the type of the sample to be tested, the operation mode database is searched to obtain the initial operation mode corresponding to the sample to be tested; the operation mode database is used to characterize the correspondence between the type of sample and the initial operation mode.

[0022] Beneficial effects: Thus, the operation mode database in this embodiment can save a lot of debugging time and resources before actual detection by pre-storing the correspondence between a large number of sample types and the best operation modes. Moreover, for samples of the same type, using a consistent initial operation mode helps to maintain the consistency and repeatability of the detection results.

[0023] In addition, as more experimental data accumulates, the operating mode database can be continuously updated and improved to further enhance the adaptability and flexibility of the system.

[0024] In an optional embodiment, the method further includes:

[0025] Determining a first operating mode corresponding to each of the corona ionization sources based on an analysis of the plurality of groups of the initial detection data;

[0026] Based on the preset operation setting, controlling each corona ionization source to operate according to the corresponding first operation mode, obtaining the migration spectrum data of each corona ionization source, so as to update the initial detection data;

[0027] Based on the analysis of the updated initial detection data, the target operation mode corresponding to each of the corona ionization sources is determined.

[0028] Beneficial effects: Through the above-mentioned multi-round simulation detection method, the present invention can not only effectively optimize the operation mode of each corona ionization source, but also provide more precise and accurate results when facing complex samples. For example, for substances with similar or difficult to distinguish ionization characteristics in a complex mixture, the operation mode after multiple rounds of optimization can effectively distinguish these components, thereby significantly improving the resolution of ion mobility spectrometry.

[0029] In an optional embodiment, the method further includes:

[0030] Determining the activation quantity of the corona ionization source based on the type of the sample to be tested;

[0031] Based on the startup quantity, the preset operational settings are determined.

[0032] Beneficial effects: Selecting the appropriate number of corona ionization sources and operating modes for different types of samples can ensure that each target substance is fully ionized under the most suitable conditions, thereby effectively distinguishing various components in complex mixtures and improving resolution.

[0033] In an optional embodiment, identifying the peak features of the plurality of groups of the target migration spectrum data to obtain the component detection result of the sample to be tested includes:

[0034] Based on feature recognition of multiple groups of target migration data, target spectral peak features are obtained;

[0035] The target spectral peak characteristics are analyzed to obtain the component detection result.

[0036] Beneficial effects: By optimizing ionization conditions and accurately identifying spectral peak features, the system can effectively detect trace components or low-concentration substances, improving the overall detection sensitivity.

[0037] In a second aspect, the present invention provides a material detection device, which is applied to an ion mobility spectrometer, wherein an ionization region of the ion mobility spectrometer is provided with a plurality of corona ionization sources, and the device comprises:

[0038] A first control module is used for, if it is determined that the sample to be tested enters the ionization zone, controlling each corona ionization source to operate according to a corresponding initial operation mode based on a preset operation setting to obtain initial migration spectrum data of each corona ionization source; the preset operation setting is used to characterize the operation time and / or operation order of each corona ionization source; the initial operation mode is determined based on the obtained initial migration spectrum data;

[0039] A first analysis module, for determining a target operation mode corresponding to each of the corona ionization sources based on an analysis of a plurality of groups of the initial migration spectrum data;

[0040] A second control module is used to control each of the corona ionization sources to operate in sequence according to a corresponding target operation mode based on the preset operation setting, so as to obtain target migration spectrum data of each of the corona ionization sources;

[0041] The second analysis module is used to identify the peak features of the multiple groups of target migration spectrum data to obtain the component detection results of the sample to be tested.

[0042] In a third aspect, the present invention provides an ion mobility spectrometry device, comprising:

[0043] A plurality of corona ionization sources are arranged in an ionization region of the ion mobility spectrometer;

[0044] A controller is connected to the corona ionization source and is used to execute the above-mentioned substance detection method.

[0045] In a fourth aspect, the present invention provides a computer-readable storage medium for storing a computer program. When the computer program is executed by a processor, the substance detection method described in the embodiment of the first aspect of the present invention is implemented.

[0046] Additional aspects and advantages of the present invention will be given in part in the following description and in part will be obvious from the following description, or will be learned through practice of the present invention. BRIEF DESCRIPTION OF THE DRAWINGS

[0047] In order to more clearly illustrate the specific implementation methods of the present invention or the technical solutions in the prior art, the drawings required for use in the specific implementation methods or the description of the prior art will be briefly introduced below. Obviously, the drawings described below are some implementation methods of the present invention. For ordinary technicians in this field, other drawings can be obtained based on these drawings without paying creative work.

[0048] Figure 1 This is one of the flow charts of the substance detection method provided by the present invention;

[0049] Figure 2 This is the second flow chart of the substance detection method provided by the present invention;

[0050] Figure 3 It is a structural schematic diagram of a material detection device provided by the present invention;

[0051] Figure 4 It is a structural schematic diagram of the electronic device provided by the present invention. DETAILED DESCRIPTION

[0052] The following embodiments of the present invention are described in further detail in conjunction with the accompanying drawings and examples. The following examples are used to illustrate the present invention, but are not intended to limit the scope of the present invention.

[0053] In the description of this specification, the description with reference to the terms "one embodiment", "some embodiments", "example", "specific example", or "some examples" etc. means that the specific features, structures, materials or characteristics described in conjunction with the embodiment or example are included in at least one embodiment or example of the embodiment of the present invention. In this specification, the schematic representations of the above terms do not necessarily refer to the same embodiment or example. Moreover, the specific features, structures, materials or characteristics described may be combined in any one or more embodiments or examples in a suitable manner. In addition, those skilled in the art may combine and combine the different embodiments or examples described in this specification and the features of the different embodiments or examples, without contradiction.

[0054] According to an embodiment of the first aspect of the present invention, a method for detecting a substance is provided.

[0055] It should be pointed out that the material detection method of the present invention is suitable for ion mobility spectrometry equipment. Before introducing the material detection method of the embodiment of the present invention, the application scenario of the material detection method is first explained. The material detection method of the present invention can be applied to ion mobility spectrometry equipment, and can also be applied to smart terminals such as smart phones, tablets and computers connected to the ion mobility spectrometry equipment. It can also be applied to servers connected to the ion mobility spectrometry equipment. The present invention is not particularly limited here, as long as it can carry and implement the material detection method of the present invention.

[0056] The substance detection method of the embodiment of the present invention is described below by taking the ion mobility spectrometer as an example. The ion mobility spectrometer includes an ionization region and a plurality of corona ionization sources arranged in the ionization region, each of which has an independent adjustment and setting function and can control its working parameters separately. During operation, each corona ionization source adopts a time-sharing control strategy.

[0057] like Figure 1 As shown, the substance detection method according to the first aspect of the present invention includes:

[0058] Step S1, if it is determined that the sample to be tested enters the ionization zone, based on the preset operation settings, control each corona ionization source to operate in accordance with the corresponding initial operation mode in sequence to obtain initial migration spectrum data of each corona ionization source; the preset operation settings are used to characterize the operation time and / or operation order of each corona ionization source; the initial operation mode is determined based on the obtained initial migration spectrum data;

[0059] Step S2, determining a target operation mode corresponding to each corona ionization source based on analysis of multiple groups of initial migration spectrum data;

[0060] Step S3, based on the preset operation settings, controlling each corona ionization source to operate in sequence according to the corresponding target operation mode, and obtaining target migration spectrum data of each corona ionization source;

[0061] Step S4, identifying the peak features of multiple groups of target migration spectrum data to obtain component detection results of the sample to be tested.

[0062] Each step of the substance detection method of the present invention is analyzed in detail below.

[0063] In step S1, the initial operation of the corona ionization source is controlled. The specific operation includes: when the sample to be tested is introduced and confirmed to enter the ionization zone of the ion mobility spectrometer, the system controls multiple corona ionization sources to start in sequence according to the preset operation settings (including the operation time and / or sequence of each corona ionization source).

[0064] Each corona ionization source operates according to pre-set parameters (such as voltage, time, etc.), i.e., the initial operation mode, when it is started. The selection of the above pre-set parameters is based on previous experience or theoretical calculations, and its purpose is to obtain a set of preliminary migration spectrum data for evaluating and adjusting subsequent operation modes.

[0065] In step S2, the target operation mode needs to be further determined. Specifically, all initial migration spectrum data obtained from step S1 are analyzed, and based on this, the optimal operation conditions of each corona ionization source, ie, the target operation mode, are determined.

[0066] The above steps involve in-depth analysis of multiple sets of initial migration spectrum data in order to find the best conditions for fully and effectively ionizing various substances in the sample. For example, some substances may require higher voltages to be fully ionized, while others may perform better at lower voltages. Through the parameter analysis operation in step S2, the operating parameters that best suit the current sample characteristics can be developed for each corona ionization source.

[0067] In step S3, it is necessary to run again according to the target operation mode. Specifically, once the target operation mode of each corona ionization source is determined, the control system will allow each corona ionization source to run again according to its specific target mode according to the preset operation time and sequence.

[0068] Thus, during this process, each ionization source generates a new set of mobility spectra that reflect the actual ionization of the substances in the sample under the optimized conditions. This run is designed to maximize the detection effect using the most appropriate ionization conditions.

[0069] Finally, in step S4, the peak features are further identified and analyzed. Specifically, the system will conduct a comprehensive analysis of all migration spectrum data generated by the target operation mode, especially identify the peak features on the spectrum, so as to obtain the specific composition information of the sample to be tested.

[0070] It can be understood that by analyzing the peak position, intensity and other related properties, the different chemical substances present in the sample can be inferred and their concentrations can be quantified. Finally, the system outputs a detailed component detection result report.

[0071] Further, the basic working principle of the substance detection method according to the embodiment of the present invention is introduced as follows: The substance detection method proposed by the present invention is based on the design concept of a multi-channel corona ionization source. By accurately controlling multiple independently working ionization sources, different ionization conditions can be applied in the same experimental cycle, thereby achieving effective ionization of multiple substances in a complex mixture. This method not only improves the ionization efficiency, but also enhances the ability to distinguish substances that are difficult to distinguish, thereby improving the overall detection sensitivity and resolution.

[0072] Based on the above working principle, the basic working process of the substance detection method of the present invention is as follows:

[0073] First, the sample to be tested is introduced into the ion mobility spectrometer to ensure that it is located in the ionization zone. Then, according to the pre-set operation strategy, the corona ionization sources are activated one by one and their performance in the initial operation mode is recorded.

[0074] Based on the data collected from the initial run, the analysis module will carefully analyze the results of each round of ionization to find the optimal combination of ionization conditions - the target operation mode - to ensure that all target substances can achieve the ideal ionization state.

[0075] Applying the best operating parameters found above, the ionization process is performed again, this time to generate high-quality migration spectrum data for the final component analysis. After collecting all the migration spectrum data from the optimized run, it is processed by advanced algorithms and technical means to identify key spectral peak features, and based on this, the specific components present in the sample and their relative contents are determined. Finally, the user can obtain a detailed component detection report.

[0076] In the related technologies, ion mobility spectrometry, as an important analytical detection technology, has been widely used in the fields of chemical substance detection, environmental monitoring, security inspection, etc. Traditional ion mobility spectrometry usually only uses a single ionization source for ionization operation. However, this single ionization source has many limitations. On the one hand, it is difficult for a single ionization source to fully ionize various substances in the sample, resulting in incomplete ionization of some substances, thus affecting the accuracy and sensitivity of the detection. On the other hand, since there is only one ionization mode, for substances with similar or difficult-to-distinguish ionization characteristics in complex mixtures, it is impossible to effectively distinguish them by changing the ionization conditions, which makes the ion mobility spectrometry insufficient in terms of resolution and difficult to meet the needs of fine analysis of complex samples.

[0077] It should be explained that the main reason why the traditional single ionization source ion mobility spectrometer cannot quickly change the operating mode is the characteristics of the ionization process itself and the limitations of the equipment hardware. Because the ionization process usually occurs in a very short time (microseconds to milliseconds), this requires the ionization source to be able to provide stable ionization conditions in a short time. For application scenarios that require rapid response, any delay or unstable voltage changes will affect the ionization efficiency and consistency of the results. The voltage regulation system of a single ionization source has its inherent response time and stability limitations. For example, factors such as the design of the power supply circuit and the charge and discharge rate of the capacitor will restrict the speed of voltage change. If you try to achieve a step-by-step change in voltage in a very short time, it may cause voltage instability, which will affect the ionization effect and may even damage the equipment.

[0078] Therefore, in order to solve the technical defects existing in the above-mentioned related art, the present invention provides a substance detection method, which improves the ionization efficiency and resolution of ion mobility spectrometry by adopting the design of a multi-channel corona ionization source, and realizes effective detection and differentiation of different analytes or difficult-to-distinguish substances. In the present invention, each ionization source can be pre-set to work within a specific voltage range, so that even if a single ionization source cannot quickly change its operating voltage, the entire system can still achieve a wide range of voltage regulation by switching different ionization sources.

[0079] Furthermore, the substance detection method of the present invention has at least the following advantages compared with the related art:

[0080] (1) Enhanced ionization efficiency: By introducing a multi-channel corona ionization source, multiple ionization conditions can be applied to the sample at different time points. This allows the various components in the sample to be ionized more fully, especially for components that require a specific ionization environment to be effectively ionized. Therefore, the ionization efficiency of the entire sample is improved and the detection error caused by incomplete ionization is reduced.

[0081] (2) Higher resolution: Multiple independently controlled ionization sources allow the system to flexibly adjust ionization parameters (such as voltage, current, etc.) according to the characteristics of the substance to be tested, thereby achieving a more precise distinction between different substances. For substances with similar or difficult-to-distinguish ionization characteristics in a complex mixture, the differences between them can be highlighted by optimizing the working mode of each ionization source, thereby improving the resolution of the analysis results.

[0082] (3) Better adaptability and flexibility: Different types of samples may require different ionization conditions to achieve the best detection effect. The method provided by the present invention can pre-set or dynamically adjust the operation mode of each ionization source according to the properties of the specific sample, ensuring that the most ideal ionization and separation conditions can be obtained in each experiment, thereby enhancing the adaptability and flexibility of the system.

[0083] (4) Improved detection sensitivity: A more efficient ionization process means that more target molecules can be converted into detectable ions, thereby directly improving the sensitivity of detection. Even for the detection of trace components, the method of the present invention can show high sensitivity and is suitable for the analysis of trace chemical substances.

[0084] (5) Wider application scope: Since the method can process more complex samples in a single test and provide more accurate results, the method of the present invention is not limited to conventional chemical substance detection, but can also be applied to environmental monitoring, security inspection and other application fields that require high-precision analysis.

[0085] In summary, the multi-channel corona ionization source design and the corresponding substance detection method proposed in the present invention effectively solve the problems of insufficient ionization and low resolution existing in traditional ion mobility spectrometry technology, and provide a new solution for efficient and accurate analysis of complex samples.

[0086] According to some embodiments of the present invention, the initial operation mode includes an initial startup voltage, an initial operation time, and an initial voltage variation mode.

[0087] It should be explained that the initial starting voltage refers to the starting voltage applied when the corona ionization source starts working; the initial operating time refers to the length of time each corona ionization source operates under specific conditions; the initial voltage change mode indicates whether the voltage remains constant or changes over time (for example, increasing or decreasing) during operation, and the specific way of change.

[0088] Based on the preset operation settings, each corona ionization source is controlled to operate according to the corresponding initial operation mode to obtain initial migration spectrum data of each corona ionization source, including:

[0089] Controlling the first corona ionization source to start at a first initial starting voltage;

[0090] According to the first initial voltage variation mode, controlling the first corona ionization source to operate for a first initial operation time, and obtaining initial migration spectrum data of the first corona ionization source;

[0091] Controlling the first corona ionization source to be turned off, and controlling the second corona ionization source to be turned on with a second initial starting voltage;

[0092] According to the second initial voltage variation mode, the second corona ionization source is controlled to operate for a second initial operation time to obtain initial migration spectrum data of the second corona ionization source.

[0093] The specific introduction of the above steps is as follows: the system first controls the first corona ionization source to start with a preset first initial starting voltage. Then, the system adjusts the voltage according to the preset first initial voltage change mode, and allows the first corona ionization source to run for a first initial running time. During this period, the components in the sample are ionized and generate migration spectrum data, which will be recorded as the initial migration spectrum data of the first corona ionization source.

[0094] After completing the above operations, the system controls the first corona ionization source to turn off and prepare to switch to the next ionization source. Once the first corona ionization source completes its task and turns off, the system immediately controls the second corona ionization source to turn on with a preset second initial startup voltage. Similarly, the system controls the second corona ionization source to run for a second initial running time according to a preset second initial voltage change mode, and also collects initial migration spectrum data generated by the second corona ionization source during this period.

[0095] When the operation of the second corona ionization source is completed, it will also be turned off to prepare for the subsequent ionization source or for data analysis.

[0096] It should be noted that the above-described embodiment describes the operation fragment of two adjacent corona ionization sources, but this does not mean that the whole system is limited to two ionization sources. In fact, the method can be extended to any number of corona ionization sources (N), and each ionization source is operated successively according to similar patterns.

[0097] For example, based on the preset operation settings, each corona ionization source is controlled to operate according to the corresponding initial operation mode to obtain initial migration spectrum data of each corona ionization source, including:

[0098] Controlling the i-th corona ionization source to start with the i-th initial starting voltage;

[0099] According to the i-th initial voltage variation mode, controlling the i-th corona ionization source to operate for the i-th initial operation time, and obtaining initial migration spectrum data of the i-th corona ionization source;

[0100] Record and store the migration spectrum data generated by the i-th corona ionization source, and control the i-th corona ionization source to be turned off;

[0101] The (i+1)th corona ionization source is controlled to start with the (i+1)th initial starting voltage, and the above process is repeated.

[0102] Based on the above embodiment, it can be understood that for a system comprising N corona ionization sources, the above steps can be cyclically applied until all ionization sources have completed a round of operation. Specifically, the first round of operation starts from the first ionization source, passes through each ionization source in turn, until the last (Nth) ionization source. In subsequent rounds, if further optimization or verification results are needed, multiple rounds of operation can be performed after adjusting the parameters to ensure that the most ideal migration spectrum data is obtained.

[0103] In summary, in this way, the present invention can not only effectively utilize multiple corona ionization sources to improve detection efficiency and resolution, but also provide more refined and accurate results when facing complex samples. This method is suitable for a variety of application scenarios, especially those that require high sensitivity and high resolution detection.

[0104] According to some embodiments of the present invention, the initial operation mode is determined by:

[0105] acquiring initial migration spectrum data and initial operation mode of the third corona ionization source;

[0106] Based on the analysis of the initial migration spectrum data of the third corona ionization source, the initial operation mode of the third corona ionization source is adjusted to obtain the initial operation mode of the fourth corona ionization source; the fourth corona ionization source is a corona ionization source that operates after the third corona ionization source.

[0107] In the present embodiment, the determination of the initial operating mode is an iterative optimization process, by analyzing the initial migration spectrum data of the previous corona ionization source (e.g., the third corona ionization source) to adjust its initial operating mode, and on this basis, a new initial operating mode is set for the next corona ionization source (e.g., the fourth corona ionization source).

[0108] The following are the specific steps and principles of this process: First, the system controls a specific corona ionization source (called the "third corona ionization source" in this example) to operate according to the preset initial operation mode to obtain the initial migration spectrum data generated by the ionization source. This step is to collect the initial ionization conditions of the sample components under specific conditions to provide a basis for subsequent analysis.

[0109] Based on the initial migration spectrum data obtained, the system will perform a detailed analysis of the data to evaluate the ionization effect under the current ionization conditions. The analysis may include but is not limited to the location, intensity, width and other characteristics of the spectral peaks to determine which substances are fully ionized and which are not, and to identify possible interference or overlap.

[0110] According to the above analysis results, the system appropriately adjusts the initial operation mode of the current ionization source (i.e., the third corona ionization source). The above adjustment may be to change the starting voltage, adjust the voltage change mode, or extend / shorten the operation time, in order to optimize the ionization conditions so that more target substances can be effectively ionized.

[0111] The adjusted operation mode is applied to the next corona ionization source to be operated (referred to as the "fourth corona ionization source" in this example). That is, the next ionization source will start to work with improved parameters, thereby obtaining a more ideal ionization effect and a higher resolution.

[0112] It should be noted that the above-mentioned "third corona ionization source" and "fourth corona ionization source" are only distinguished in name, and do not mean fixed restrictions on actual position or order. Any ionization source can be used as a reference object to adjust the initial operation mode, and the other ionization source that follows it will operate in the updated mode.

[0113] In this way, the present invention provides a flexible and efficient mechanism to gradually optimize the operating mode of each corona ionization source, thereby significantly improving the performance of ion mobility spectrometry in complex sample analysis. This method is not only applicable to the adjustment between two consecutive ionization sources, but can also be extended to the determination of the operating mode of all ionization sources in the entire system, ensuring that each ionization source can work under its optimal conditions, thereby improving the efficiency and accuracy of the overall system.

[0114] According to some other embodiments of the present invention, the initial operation mode is determined by:

[0115] According to the type of the sample to be tested, the operation mode database is searched to obtain the initial operation mode corresponding to the sample to be tested; the operation mode database is used to characterize the corresponding relationship between the type of the sample and the initial operation mode.

[0116] In this embodiment, the initial operation mode may be determined by querying a pre-established operation mode database.

[0117] Specifically, first, the system needs to identify or confirm the specific type of the sample to be tested. This operation can be completed through user input, preliminary experiments or other methods. Among them, the sample type may include but is not limited to specific chemical composition, physical state (such as gas, liquid, solid), source and other information. Once the sample type is determined, the system will query the pre-built operation mode database based on the information. Among them, the operation mode database contains a large number of correspondences between different types of samples and their optimal initial operation modes. By searching, you can quickly find the initial operation mode that matches the current sample to be tested.

[0118] After obtaining the initial operation mode corresponding to the sample to be tested from the database, the system will prepare to set the corresponding corona ionization source according to these parameters. Among them, the initial operation mode usually includes key parameters such as starting voltage, operation time, and voltage change mode. Finally, the system controls each corona ionization source to start working according to the initial operation mode obtained from the database, ionizes the sample to be tested, and records the generated migration spectrum data. This ensures that the ideal ionization conditions are as close as possible during the first run, reduces unnecessary trial and error processes, and improves detection efficiency and accuracy.

[0119] Thus, the operation mode database in this embodiment can save a lot of debugging time and resources before actual detection by pre-storing the correspondence between a large number of sample types and the best operation modes. Moreover, for samples of the same type, using a consistent initial operation mode helps to maintain the consistency and repeatability of the detection results.

[0120] In addition, as more experimental data accumulates, the operating mode database can be continuously updated and improved to further enhance the adaptability and flexibility of the system.

[0121] According to some embodiments of the present invention, the method further comprises:

[0122] Determining a first operating mode corresponding to each corona ionization source based on an analysis of the plurality of groups of initial detection data;

[0123] Based on the preset operation settings, each corona ionization source is controlled to operate according to the corresponding first operation mode to obtain the migration spectrum data of each corona ionization source to update the initial detection data;

[0124] Based on the analysis of the updated initial detection data, the target operation mode corresponding to each corona ionization source is determined.

[0125] It should be explained that the above steps are steps of multiple rounds of simulation detection, each round of simulation detection includes a complete ionization process of multiple power ionization sources, that is, this embodiment gradually adjusts and optimizes the operation mode of each corona ionization source through multiple rounds of simulation detection.

[0126] Specifically, the system first controls each corona ionization source to operate according to the initial operation mode to obtain multiple groups of initial migration spectrum data (ie, initial detection data). These initial detection data reflect the ionization conditions of the sample components under the initial set conditions.

[0127] Based on the analysis of multiple sets of initial detection data, the system determines the first operating mode corresponding to each corona ionization source. The analysis includes evaluating the ionization effect, identifying insufficiently ionized substances, and distinguishing difficult-to-distinguish components. Based on these analysis results, the parameters of each ionization source (such as starting voltage, operating time, voltage change pattern, etc.) are adjusted to form a more optimal first operating mode.

[0128] The system controls each corona ionization source to operate in the corresponding first operating mode again to obtain new migration spectrum data. The purpose of this round of operation is to verify whether the adjusted operating mode can improve the ionization effect and update the initial detection data to provide a basis for the next round of optimization. Based on the updated initial detection data, the system conducts a new round of data analysis. In this step, the system will re-evaluate the ionization effect, check whether there is room for further optimization, and prepare to enter the next round of simulation detection.

[0129] After multiple rounds of simulation tests and continuous data analysis and optimization, the target operating mode corresponding to each corona ionization source was finally determined. In this way, the target operating mode is the best configuration obtained through multiple iterations, ensuring that each ionization source can work under its optimal conditions, thereby achieving the best ionization effect and resolution.

[0130] It can be understood that in the above multiple rounds of simulation detection, each round of simulation detection includes a complete ionization process of multiple corona ionization sources to ensure that all possible ionization conditions are considered. Furthermore, through continuous feedback loops, each round of detection will be improved based on the results of the previous round, gradually approaching the ideal state.

[0131] In summary, through the above-mentioned multiple rounds of simulation detection method, the present invention can not only effectively optimize the operation mode of each corona ionization source, but also provide more precise and accurate results when facing complex samples. For example, for substances with similar or difficult to distinguish ionization characteristics in a complex mixture, the operation mode after multiple rounds of optimization can effectively distinguish these components, thereby significantly improving the resolution of ion mobility spectrometry.

[0132] According to some embodiments of the present invention, the method further comprises:

[0133] Determine the number of activations of the corona ionization source based on the type of sample to be tested;

[0134] Based on the number of starts, the preset run settings are determined.

[0135] In this embodiment, first, the system needs to identify or confirm the specific type of the sample to be tested. The specific type can be completed by user input, preliminary experiments or other methods. The sample type may include but is not limited to specific chemical composition, physical state (such as gas, liquid, solid), source and other information.

[0136] Based on the type of sample being tested, the system looks up relevant information from a pre-built knowledge base or database to determine the number of corona ionization source activations required. It is understood that different sample types require different numbers of corona ionization sources for adequate ionization. For example, a complex mixture may require more ionization sources to distinguish the various components, while a simple sample may only require fewer ionization sources.

[0137] Once the number of startups is determined, the system will develop detailed preset run settings based on this number. The preset run settings usually include key parameters such as the startup voltage, run time, and voltage change mode of each corona ionization source. Finally, the system controls each corona ionization source to start working according to the preset run settings, ionizes the sample to be tested, and records the generated migration spectrum data.

[0138] For example, suppose the sample to be tested is a complex mixture of organic compounds. The system recognizes that this is a complex mixture of organic compounds. Based on this sample type, the system queries the database and decides to start all three corona ionization sources. The system sets a specific start voltage, operating time, and voltage change pattern for each ionization source to adapt to the needs of the complex mixture. After that, the system controls the three corona ionization sources to run in sequence, obtains initial migration spectrum data, and performs subsequent analysis and optimization.

[0139] In this way, selecting the appropriate number of corona ionization sources and operating modes for different types of samples can ensure that each target substance is fully ionized under the most suitable conditions, thereby effectively distinguishing the various components in a complex mixture and improving the resolution.

[0140] According to some embodiments of the present invention, peak features of multiple groups of target migration spectrum data are identified to obtain component detection results of the sample to be tested, including:

[0141] Based on feature recognition of multiple groups of target migration data, target spectrum peak features are obtained;

[0142] Analyze the target spectral peak characteristics and obtain the component detection results.

[0143] In this embodiment, the specific process of feature recognition and analysis is as follows: the system first collects migration spectrum data generated by multiple corona ionization sources under different operating modes. Advanced algorithms and technologies (such as machine learning, pattern recognition, etc.) are used to automatically identify key peak features in these data. Among them, different substances will produce ions with unique migration characteristics under specific conditions, and these ions will form different peaks on the migration spectrum. The target peak features refer to those key attributes that can effectively distinguish different substances and reflect their physical and chemical properties. The position, intensity, width, shape, etc. of the peak are all important characteristic parameters.

[0144] Once the target peak characteristics are determined, the system will conduct an in-depth analysis to infer the specific components and their relative contents in the sample. The analysis process includes but is not limited to comparing the spectra of known standard substances, calculating the peak area or height to quantitatively analyze the concentration of components, and using mathematical models to predict the presence of unknown substances.

[0145] Finally, the system outputs a detailed component detection report, clearly indicating the various substances contained in the sample and their corresponding qualitative and quantitative information.

[0146] In this way, by optimizing ionization conditions and accurately identifying spectral peak features, the system can effectively detect trace components or low-concentration substances, thereby improving the overall detection sensitivity.

[0147] A specific embodiment of a substance detection method is given below with reference to the accompanying drawings.

[0148] A plurality of corona ionization sources are installed in the ionization region of the ion mobility spectrometer, for example, three corona ionization sources A, B, and C can be set. Each ionization source is connected to an independent voltage regulating module, which can accurately control the voltage magnitude, change rate, and other parameters applied to the ionization source. At the same time, a controller is provided to realize the time-sharing control of each ionization source, that is, to activate the A, B, and C ionization sources in sequence according to a predetermined time sequence, and coordinate the voltage regulating module to set a suitable voltage for each ionization source.

[0149] like Figure 2 As shown in the figure, the detection process is as follows:

[0150] The sample to be tested is introduced into the injection system of the ion mobility spectrometer to enter the ionization zone. First, the controller activates the ionization source A. According to the preliminary analysis of the sample or the known component information, the voltage regulation module sets the initial voltage V1 for the ionization source A and changes the voltage within a certain time t1 according to a predetermined change rule (such as linear decrease or increase). In this process, some substances in the sample are ionized by the ionization source A to produce specific ionization products, which enter the migration zone for migration separation and are detected and recorded by the detector.

[0151] Then, after time t1 ends, the controller switches to ionization source B, and the voltage regulation module sets the voltage V2 for it. The voltage is also changed within time t2 according to the corresponding change rule to generate another group of ionization products and detect and record them.

[0152] Finally, the ionization source C is activated, the voltage V3 is set and the voltage is changed within the time t3 to obtain the detection information of the third group of ionization products.

[0153] By comprehensively analyzing the migration spectrum data of ionization products generated by these three groups of different ionization sources under different voltage conditions, a new set of voltages V1, V2, V3 and times t1, t2, t3 are generated based on previous historical experience and ionization product simulation analysis. The system executes sequentially according to the generated values, analyzes the data, and uses data processing software to identify different spectral peak features corresponding to different substances to be tested, thereby achieving accurate resolution and quantitative analysis of various substances in complex samples.

[0154] like Figure 3 As shown, the material detection device according to the second aspect of the present invention is applied to an ion mobility spectrometry device, and the material detection device includes:

[0155] The first control module 100 is used to control each corona ionization source to operate according to a corresponding initial operation mode based on a preset operation setting if it is determined that the sample to be tested enters the ionization zone, so as to obtain initial migration spectrum data of each corona ionization source; the preset operation setting is used to characterize the operation time and / or operation sequence of each corona ionization source; the initial operation mode is determined based on the obtained initial migration spectrum data;

[0156] A first analysis module 200 is used to determine a target operation mode corresponding to each corona ionization source based on an analysis of multiple groups of initial migration spectrum data;

[0157] The second control module 300 is used to control each corona ionization source to operate in sequence according to a corresponding target operation mode based on a preset operation setting, so as to obtain target migration spectrum data of each corona ionization source;

[0158] The second analysis module 400 is used to identify the peak features of multiple groups of target migration spectrum data to obtain component detection results of the sample to be tested.

[0159] The ion mobility spectrometer according to the third aspect of the present invention comprises a plurality of corona ionization sources arranged in the ionization region of the ion mobility spectrometer; and also comprises a controller connected to the corona ionization sources and used in the above-mentioned substance detection method.

[0160] According to an embodiment of a fourth aspect of the present invention, a schematic diagram of a physical structure of an electronic device is provided, such as Figure 4As shown, the electronic device may include: a processor 810, a communication interface 820, a memory 830 and a bus 840, wherein the processor 810, the communication interface 820 and the memory 830 communicate with each other through the communication bus 840. The processor 810 may call the logic instructions in the memory 830 to execute the following method: if it is determined that the sample to be tested enters the ionization zone, based on the preset operation setting, each corona ionization source is controlled to operate in accordance with the corresponding initial operation mode in sequence to obtain the initial migration spectrum data of each corona ionization source; the preset operation setting is used to characterize the operation time and / or operation sequence of each corona ionization source; the initial operation mode is determined based on the obtained initial migration spectrum data; based on the analysis of multiple groups of initial migration spectrum data, the target operation mode corresponding to each corona ionization source is determined; based on the preset operation setting, each corona ionization source is controlled to operate in accordance with the corresponding target operation mode in sequence to obtain the target migration spectrum data of each corona ionization source; the peak features of multiple groups of target migration spectrum data are identified to obtain the component detection result of the sample to be tested.

[0161] In addition, the logic instructions in the above-mentioned memory 830 can be implemented in the form of a software functional unit and can be stored in a computer-readable storage medium when it is sold or used as an independent product. Based on this understanding, the technical solution of the present invention can be embodied in the form of a software product, which is stored in a storage medium and includes a number of instructions to enable a computer device (which can be a personal computer, a server, or a network device, etc.) to perform all or part of the steps of the methods of each embodiment of the present invention. The aforementioned storage medium includes: U disk, mobile hard disk, read-only memory (ROM, Read-Only Memory), random access memory (RAM, Random Access Memory), disk or optical disk and other media that can store program codes.

[0162] According to an embodiment of a fifth aspect of the present invention, a non-transitory computer-readable storage medium is provided, on which a computer program is stored. When the computer program is executed by a processor, the method for detecting substances provided in the above embodiments is implemented, for example, including: if it is determined that the sample to be tested enters the ionization zone, based on a preset operation setting, controlling each corona ionization source to operate in sequence according to the corresponding initial operation mode to obtain initial migration spectrum data of each corona ionization source; the preset operation setting is used to characterize the operation time and / or operation order of each corona ionization source; the initial operation mode is determined based on the obtained initial migration spectrum data; based on the analysis of multiple groups of initial migration spectrum data, the target operation mode corresponding to each corona ionization source is determined; based on the preset operation setting, controlling each corona ionization source to operate in sequence according to the corresponding target operation mode to obtain target migration spectrum data of each corona ionization source; identifying the peak features of the multiple groups of target migration spectrum data to obtain the component detection result of the sample to be tested.

[0163] According to an embodiment of a sixth aspect of the present invention, a computer program product is provided, the computer program product comprising a computer program stored on a non-transitory computer-readable storage medium, the computer program comprising program instructions, and when the program instructions are executed by a computer, the computer can execute the substance detection methods provided by the above-mentioned method embodiments, for example, comprising: if it is determined that the sample to be tested enters the ionization zone, based on a preset operation setting, controlling each corona ionization source to operate in sequence according to a corresponding initial operation mode to obtain initial migration spectrum data of each corona ionization source; the preset operation setting is used to characterize the operation time and / or operation sequence of each corona ionization source; the initial operation mode is determined based on the obtained initial migration spectrum data; based on an analysis of multiple groups of initial migration spectrum data, determining a target operation mode corresponding to each corona ionization source; based on the preset operation setting, controlling each corona ionization source to operate in sequence according to the corresponding target operation mode to obtain target migration spectrum data of each corona ionization source; identifying the peak features of the multiple groups of target migration spectrum data to obtain a component detection result of the sample to be tested.

[0164] The device embodiments described above are merely illustrative, wherein the units described as separate components may or may not be physically separated, and the components displayed as units may or may not be physical units, i.e., they may be located in one location, or they may be distributed on multiple network units. Some or all of the modules may be selected according to actual needs to achieve the purpose of the scheme of this embodiment. Those of ordinary skill in the art may understand and implement it without creative effort.

[0165] Through the description of the above implementation methods, those skilled in the art can clearly understand that each implementation method can be implemented by means of software plus a necessary general hardware platform, and of course, it can also be implemented by hardware. Based on this understanding, the above technical solution is essentially or the part that contributes to the relevant technology can be embodied in the form of a software product, and the computer software product can be stored in a computer-readable storage medium, such as ROM / RAM, a disk, an optical disk, etc., including a number of instructions for a computer device (which can be a personal computer, a server, or a network device, etc.) to execute the methods of each embodiment or some parts of the embodiment.

[0166] Finally, it should be noted that the above embodiments are only used to illustrate the technical solutions of the present invention, rather than to limit it. Although the present invention has been described in detail with reference to the aforementioned embodiments, those skilled in the art should understand that they can still modify the technical solutions described in the aforementioned embodiments, or make equivalent replacements for some of the technical features therein. However, these modifications or replacements do not deviate the essence of the corresponding technical solutions from the spirit and scope of the technical solutions of the embodiments of the present invention.

[0167] The above embodiments are only used to illustrate the present invention, but not to limit the present invention. Although the present invention is described in detail with reference to the embodiments, it should be understood by those skilled in the art that various combinations, modifications or equivalent substitutions of the technical solutions of the present invention do not depart from the spirit and scope of the technical solutions of the present invention, and should be included in the scope of the claims of the present invention.

Claims

1. A method for detecting a substance, characterized in that: Applied to an ion mobility spectrometer, wherein the ionization region of the ion mobility spectrometer is provided with a plurality of corona ionization sources, the method comprises: If it is determined that the sample to be tested enters the ionization zone, based on the preset operation settings, each corona ionization source is controlled to operate in accordance with the corresponding initial operation mode in sequence to obtain initial migration spectrum data of each corona ionization source; the preset operation settings are used to characterize the operation time and / or operation order of each corona ionization source; the initial operation mode is determined based on the obtained initial migration spectrum data; Determining a target operating mode corresponding to each of the corona ionization sources based on an analysis of the plurality of groups of the initial migration spectrum data; Based on the preset operation setting, controlling each of the corona ionization sources to operate in sequence according to a corresponding target operation mode to obtain target migration spectrum data of each of the corona ionization sources; The peak features of the multiple groups of target migration spectrum data are identified to obtain the component detection results of the sample to be tested.

2. The method according to claim 1, characterized in that The initial operation mode includes an initial starting voltage, an initial operation time and an initial voltage change mode; based on the preset operation settings, each corona ionization source is controlled to operate according to the corresponding initial operation mode to obtain initial migration spectrum data of each corona ionization source, including: Controlling the first corona ionization source to start at a first initial starting voltage; According to a first initial voltage variation mode, controlling the first corona ionization source to operate for a first initial operation time to obtain initial migration spectrum data of the first corona ionization source; Controlling the first corona ionization source to be turned off, and controlling the second corona ionization source to be turned on with a second initial starting voltage; According to the second initial voltage variation mode, the second corona ionization source is controlled to operate for a second initial operation time to obtain initial migration spectrum data of the second corona ionization source.

3. The method according to claim 1, characterized in that The initial operation mode is determined as follows: acquiring initial migration spectrum data and initial operation mode of the third corona ionization source; Based on the analysis of the initial migration spectrum data of the third corona ionization source, the initial operation mode of the third corona ionization source is adjusted to obtain the initial operation mode of the fourth corona ionization source; the fourth corona ionization source is a corona ionization source that operates after the third corona ionization source.

4. The method according to claim 1, characterized in that The initial operation mode is determined as follows: According to the type of the sample to be tested, the operation mode database is searched to obtain the initial operation mode corresponding to the sample to be tested; the operation mode database is used to characterize the correspondence between the type of sample and the initial operation mode.

5. The method according to any one of claims 1 to 4, characterized in that The method further comprises: Determining a first operating mode corresponding to each of the corona ionization sources based on an analysis of the plurality of groups of the initial detection data; Based on the preset operation setting, controlling each corona ionization source to operate according to the corresponding first operation mode, obtaining the migration spectrum data of each corona ionization source, so as to update the initial detection data; Based on the analysis of the updated initial detection data, the target operation mode corresponding to each of the corona ionization sources is determined.

6. The method according to any one of claims 1 to 4, characterized in that The method further comprises: Determining the activation quantity of the corona ionization source based on the type of the sample to be tested; Based on the startup quantity, the preset operational settings are determined.

7. The method according to any one of claims 1 to 4, characterized in that The step of identifying the peak features of the plurality of groups of target migration spectrum data to obtain the component detection results of the sample to be tested includes: Based on feature recognition of multiple groups of target migration data, target spectral peak features are obtained; The target spectral peak characteristics are analyzed to obtain the component detection result.

8. A material detection device, characterized in that: Applied to an ion mobility spectrometer, the ionization region of the ion mobility spectrometer is provided with a plurality of corona ionization sources, and the device comprises: A first control module is used for, if it is determined that the sample to be tested enters the ionization zone, controlling each corona ionization source to operate according to a corresponding initial operation mode based on a preset operation setting to obtain initial migration spectrum data of each corona ionization source; the preset operation setting is used to characterize the operation time and / or operation order of each corona ionization source; the initial operation mode is determined based on the obtained initial migration spectrum data; A first analysis module, for determining a target operation mode corresponding to each of the corona ionization sources based on an analysis of a plurality of groups of the initial migration spectrum data; A second control module is used to control each of the corona ionization sources to operate in sequence according to a corresponding target operation mode based on the preset operation setting, so as to obtain target migration spectrum data of each of the corona ionization sources; The second analysis module is used to identify the peak features of the multiple groups of target migration spectrum data to obtain the component detection results of the sample to be tested.

9. An ion mobility spectrometry device, characterized in that: include: A plurality of corona ionization sources are arranged in an ionization region of the ion mobility spectrometer; A controller is connected to the corona ionization source and is used to execute the substance detection method according to any one of claims 1 to 7.

10. A computer-readable storage medium, characterized in that: The computer-readable storage medium is used to store a computer program, and when the computer program is executed by a processor, the substance detection method according to any one of claims 1 to 7 is implemented.

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