Spectrum detection method, spectrum detection system, electronic device and storage medium

Abstract

The embodiment of the application provides a spectrum detection method, a spectrum detection system, an electronic device and a storage medium, and belongs to the technical field of spectrum determination. The spectrum detection system is provided with a vacuum cavity, an ion trap device and a laser photodissociation module. The method comprises the following steps: capturing sample molecule ions in the vacuum cavity through the ion trap device, then performing a photodissociation operation on the sample molecule ions in the ion trap device through the laser photodissociation module to obtain target fragment ions. Then, the target fragment ions are irradiated with detection light to make the target fragment ions generate fluorescence signals, then the fluorescence signals of the target fragment ions are detected, and the target photodissociation scattering cross-sectional area corresponding to each dissociation light wavelength is calculated according to the fluorescence signals and the dissociation light wavelengths of at least two different dissociation lights. Finally, the photodissociation spectrum information is obtained according to the target photodissociation scattering cross-sectional areas corresponding to the at least two dissociation light wavelengths. The embodiment of the application can accurately measure the photodissociation spectrum of specific particles.

Description

Technical Field

[0001] This application relates to the field of spectral measurement technology, and in particular to a spectral detection method, a spectral detection system, an electronic device, and a storage medium. Background Technology

[0002] In related technologies, time-of-flight mass spectrometry (TOF) is commonly used to analyze charged particle products in photodissociation reactions. When charged particle products reach the detector, they collide with the detector to generate a signal. The flight time of each particle is recorded, and the photodissociation spectrum is further analyzed based on the corresponding flight time of the product. However, this method has high requirements for the operating environment, and the random and unpredictable motion of particles leads to the risk of losing the corresponding detection signal of the particle product, resulting in an inaccurate photodissociation spectrum. Therefore, how to accurately measure the photodissociation spectrum of a specific particle has become an urgent problem to be solved. Summary of the Invention

[0003] The main objective of this application is to provide a spectral detection method, spectral detection system, electronic device, and storage medium, which aims to accurately measure the photodissociation spectrum of a specific particle.

[0004] To achieve the above objectives, a first aspect of this application proposes a spectral detection method applied to a spectral detection system. The spectral detection system includes a vacuum cavity, an ion trap device, and a laser photolysis module. The ion trap device is disposed within the vacuum cavity. The method includes:

[0005] The ion trap device captures sample molecular ions containing target fragment ions within the vacuum chamber.

[0006] The laser photolysis module performs photodissociation on the sample molecular ions in the ion trap device to obtain target fragment ions.

[0007] The target fragment ions are illuminated with detection light to induce fluorescence signals in the target fragment ions within the ion trap device;

[0008] Detect the fluorescence signal of the target fragment ions;

[0009] Based on the fluorescence signal and at least two different dissociation wavelengths, the target light disscattering cross-sectional area corresponding to each dissociation wavelength is calculated.

[0010] The photodissociation spectrum information is obtained by integrating the data based on the target photodisscattering cross-sectional area corresponding to at least two of the dissociation light wavelengths.

[0011] In some embodiments, calculating the target photodisscattering cross-sectional area corresponding to each dissociation light wavelength based on the fluorescence signal and at least two different dissociation light wavelengths includes:

[0012] The fluorescence decay rate is determined based on the intensity of the fluorescence signal and the signal lifetime of the fluorescence signal;

[0013] The target photodisscattering cross-sectional area is obtained by calculating the fluorescence decay rate, the dissociation light wavelength, and the dissociation light parameters used in the photodissociation operation.

[0014] The wavelength of the dissociation light in the laser photolysis module is adjusted, and the process returns to the step of determining the fluorescence decay rate based on the intensity and lifetime of the fluorescence signal.

[0015] In some embodiments, the dissociation light parameters include dissociation light energy, dissociation light frequency, and dissociation light spot area; the step of calculating the target photodisscattering cross-sectional area by analyzing the fluorescence decay rate, the dissociation light wavelength, and the dissociation light parameters used in the photodissociation operation includes:

[0016] The first intermediate data is obtained by integrating and calculating the wavelength, energy, frequency, and area of ​​the dissociated light.

[0017] Photon flux data is obtained by performing an exponential calculation based on the preset photon count and the first intermediate data; wherein, the photon count is the number of photons required for the sample molecular ion to dissociate into the basic fragment ion;

[0018] The target photodisscattering cross-sectional area is obtained by multiplying the fluorescence decay rate and the photon flux data.

[0019] In some embodiments, the step of integrating and calculating the first intermediate data based on the dissociation light wavelength, the dissociation light energy, the dissociation light frequency, and the dissociation light spot area includes:

[0020] The area of ​​the dissociated light spot is multiplied by a preset constant factor to obtain the second intermediate data;

[0021] The third intermediate data is obtained by multiplying the wavelength of the dissociated light, the energy of the dissociated light, and the frequency of the dissociated light.

[0022] The first intermediate data is obtained by dividing the second intermediate data and the third intermediate data.

[0023] In some embodiments, before integrating the data based on the target photodisscattering cross-sectional area corresponding to at least two of the dissociated light wavelengths to obtain photodissociation spectral information, the method further includes:

[0024] Detect the dissociation light energy generated by the laser photolysis module during the photodissociation operation;

[0025] Obtain a preset energy threshold corresponding to the wavelength of the dissociated light;

[0026] If the dissociation light energy is not equal to the preset energy threshold, calculate the energy error value between the dissociation light energy and the preset energy threshold;

[0027] An adjustment signal is generated based on the energy error value, and the laser photolysis module is adjusted according to the adjustment signal until the energy error value is less than or equal to a preset error threshold.

[0028] In some embodiments, capturing sample molecular ions containing target fragment ions within the vacuum chamber via the ion trap device includes:

[0029] The mass of the target fragment ions is calculated based on their type and charge number to obtain the ion mass.

[0030] Obtain the design parameters of the ion trap device;

[0031] The radio frequency voltage of the ion trap device is obtained by calculating the radio frequency voltage value based on the ion mass, the design parameters, and the preset stability parameters.

[0032] The ion trap device captures molecular ions from the sample according to the radio frequency voltage.

[0033] To achieve the above objectives, a second aspect of this application provides a spectral detection system, the spectral detection system comprising:

[0034] A vacuum chamber used to contain sample molecular ions;

[0035] An ion trap device, disposed within the vacuum chamber, is used to generate a radio frequency field to capture molecular ions from the sample.

[0036] A laser photolysis module is used to emit dissociation light into the ion trap device to perform photodissociation on the sample molecular ions in the ion trap device to obtain target fragment ions;

[0037] A detection light module is used to emit a detection laser to the ion trap device so that the target fragment ions in the ion trap device generate fluorescence signals at different dissociation light wavelengths;

[0038] A fluorescence signal detection module is used to detect the fluorescence signal of the target fragment ions;

[0039] A signal processing module, connected to the fluorescence signal detection module, is used to determine photodissociation spectral information based on the fluorescence signal and the dissociation light wavelength.

[0040] In some embodiments, the spectral detection system is further equipped with an energy detection module, which is connected to the signal processing module and the laser photolysis module respectively. The energy detection module is used to detect the dissociation energy of the dissociated light. The signal processing module is also used to control the laser photolysis module according to the dissociation energy to adjust the dissociation energy.

[0041] To achieve the above objectives, a third aspect of this application provides an electronic device, which includes a memory and a processor. The memory stores a computer program, and the processor executes the computer program to implement the method described in the first aspect.

[0042] To achieve the above objectives, a fourth aspect of the present application provides a computer-readable storage medium storing a computer program that, when executed by a processor, implements the method described in the first aspect.

[0043] The spectral detection method, system, electronic device, and storage medium proposed in this application capture sample molecular ions containing target fragment ions using an ion trap device, and then perform photodissociation on these ions using a laser photolysis module to obtain the target fragment ions. Next, the target fragment ions are illuminated to generate fluorescence signals, which are then detected. The target photodispersive cross-sectional area is calculated based on the fluorescence signals and different dissociation wavelengths, and the photodissociation spectral information is then integrated to obtain the information. This process eliminates the need for complex time-of-flight recording and analysis required by time-of-flight mass spectrometry, avoiding dependence on demanding operating environments. This embodiment, operating in a relatively stable environment, ensures the accuracy and stability of detection based on a controllable ion capture and photodissociation process, solving the problem of low accuracy in photodissociation spectroscopy in related technologies, and providing a reliable method for accurately measuring the photodissociation spectra of specific particles. Attached Figure Description

[0044] Figure 1 This is a flowchart of the spectral detection method provided in the embodiments of this application;

[0045] Figure 2 yes Figure 1 The flowchart of step S105 in the process;

[0046] Figure 3yes Figure 2 The flowchart of step S202 in the document;

[0047] Figure 4 This is another flowchart of the spectral detection method provided in the embodiments of this application;

[0048] Figure 5 This is a schematic diagram of the structure of the spectral detection system provided in the embodiments of this application;

[0049] Figure 6 This is a schematic diagram of the ion trap device provided in the embodiments of this application;

[0050] Figure 7 This is a timing diagram of the spectral detection system provided in the embodiments of this application executing the spectral detection method;

[0051] Figure 8 This is a schematic diagram of the hardware structure of the electronic device provided in the embodiments of this application.

[0052] Reference numerals: 1. Vacuum chamber; 2. Ion trap device; 3. Laser photolysis module; 4. Probe light module; 5. Fluorescence signal detection module; 6. Signal processing module; 7. Energy detection module; 8. Multistage vacuum pump; 9. Sample source; 10. Drift tube; 11. Electron gun; 12. First end ring electrode rod; 20. Second end ring electrode rod; 21. First intermediate electrode rod; 22. Second intermediate electrode rod; 23. Third intermediate electrode rod; 24. Fourth intermediate electrode rod; 25. Detailed Implementation

[0053] To make the objectives, technical solutions, and advantages of this application clearer, the following detailed description is provided in conjunction with the accompanying drawings and embodiments. It should be understood that the specific embodiments described herein are merely illustrative and not intended to limit the scope of this application.

[0054] It should be noted that although functional modules are divided in the device schematic diagram and a logical order is shown in the flowchart, in some cases, the steps shown or described may be performed in a different order than the module division in the device or the order in the flowchart. The terms "first," "second," etc., in the specification, claims, and the aforementioned drawings are used to distinguish similar objects and are not necessarily used to describe a specific order or sequence.

[0055] Unless otherwise defined, all technical and scientific terms used herein have the same meaning as commonly understood by one of ordinary skill in the art to which this application belongs. The terminology used herein is for the purpose of describing embodiments of this application only and is not intended to limit this application.

[0056] First, let's analyze some of the terms used in this application:

[0057] Photodissociation (PD): Photodissociation refers to the process by which a molecule, after absorbing a photon, breaks its internal chemical bonds due to the photon's energy, resulting in the molecule fragmenting into smaller fragments (including atoms, free radicals, or ions). The efficiency of photodissociation depends on the molecule's ability to absorb photons, the wavelength of the incident light, and the photon's energy.

[0058] Molecular ion: A molecular ion is an ion that carries an overall electric charge after the molecule has been ionized. This ionization can be achieved in various ways, such as photoionization (the molecule absorbs high-energy photons), collisional ionization (the molecule collides with high-speed particles), or chemical ionization (reaction with other substances). When a molecular ion forms, it may only lose or gain an electron without breaking chemical bonds; therefore, its structure is essentially the same as the original molecule.

[0059] Effective photodispersive cross section (ADC) is a physical quantity used to describe the ability of a molecule or ion to absorb photons and undergo photodissociation. Specifically, it refers to the probability of a molecule undergoing photodissociation under experimental illumination conditions. ADC is usually expressed in units of area; the higher the value, the greater the probability of photodissociation.

[0060] In related technologies, time-of-flight mass spectrometry (TOF) is commonly used to analyze charged particle products in photodissociation reactions. When charged particle products reach the detector, they collide with the detector to generate a signal. The flight time of each particle is recorded, and the photodissociation spectrum is further analyzed based on the corresponding flight time of the product. However, this method has high requirements for the operating environment, and the random and unpredictable motion of particles leads to the risk of losing the corresponding detection signal of the particle product, resulting in an inaccurate photodissociation spectrum. Therefore, how to accurately measure the photodissociation spectrum of a specific particle has become an urgent problem to be solved.

[0061] Based on this, embodiments of this application provide a spectral detection method, a spectral detection system, an electronic device, and a storage medium, which aim to accurately measure the photodissociation spectrum of a specific particle.

[0062] The spectral detection method, apparatus, electronic device, and storage medium provided in the embodiments of this application are specifically described through the following embodiments. First, the spectral detection method in the embodiments of this application is described.

[0063] This application can be used in a wide variety of general-purpose or special-purpose computer system environments or configurations. Examples include: personal computers, server computers, handheld or portable devices, tablet devices, multiprocessor systems, microprocessor-based systems, set-top boxes, programmable consumer electronics, network PCs, minicomputers, mainframe computers, and distributed computing environments including any of the above systems or devices. This application can be described in the general context of computer-executable instructions executed by a computer, such as program modules. Generally, program modules include routines, programs, objects, components, data structures, etc., that perform specific tasks or implement specific abstract data types. This application can also be practiced in distributed computing environments where tasks are performed by remote processing devices connected via a communication network. In distributed computing environments, program modules can reside in local and remote computer storage media, including storage devices.

[0064] Figure 1 This is an optional flowchart of the spectral detection method provided in the embodiments of this application. Figure 1 The method described above is applied to a spectral detection system, which is equipped with a vacuum chamber, an ion trap device, and a laser photolysis module. The ion trap device is located inside the vacuum chamber. Figure 1 The method may include, but is not limited to, steps S101 to S106.

[0065] Step S101: The sample molecular ions containing the target fragment ions are captured in the vacuum chamber using an ion trap device.

[0066] Step S102: The sample molecular ions in the ion trap device are photodissociated using a laser photolysis module to obtain target fragment ions.

[0067] Step S103: Illuminate the target fragment ions with detection light so that the target fragment ions in the ion trap device generate a fluorescence signal.

[0068] Step S104: Detect the fluorescence signal of the target fragment ions.

[0069] Step S105: Based on the fluorescence signal and the dissociation wavelengths of at least two different dissociation lights, calculate the target photodisscattering cross-sectional area corresponding to each dissociation wavelength.

[0070] Step S106: Data integration is performed based on the target photodisscattering cross-sectional area corresponding to at least two dissociation light wavelengths to obtain photodissociation spectral information.

[0071] Steps S101 to S106 of this embodiment involve capturing sample molecular ions containing target fragment ions using an ion trap device, followed by photodissociation using a laser photolysis module to obtain the target fragment ions. Next, the target fragment ions are illuminated to generate fluorescence signals, which are then detected. The target photodispersive cross-sectional area is calculated based on the fluorescence signals and different dissociation wavelengths, and the photodissociation spectral information is then integrated. This process eliminates the need for complex time-of-flight recording and analysis required by time-of-flight mass spectrometry, avoiding dependence on demanding operating environments. This embodiment, operating in a relatively stable environment, ensures the accuracy and stability of detection through a controllable ion capture and photodissociation process, solving the problem of low accuracy in photodissociation spectroscopy in related technologies and providing a reliable method for accurately measuring the photodissociation spectra of specific particles.

[0072] In step S101 of some embodiments, the sample molecular ion is the molecular ion obtained after decomposing a sample source containing a specific element. The target fragment ion is the ion corresponding to the aforementioned specific element, which is subsequently obtained from the decomposition of the sample molecular ion and is also the detection target of the current method. For example, if the specific element is beryllium (Be), the sample molecular ion can be BeH+ and BeOH+, then the target fragment ion is Be+.

[0073] It should be noted that the embodiments of this application are for precise measurement of specific particles, and the type of target fragment ions is determined from the beginning of the method. Before measurement, a multi-stage pump group is used to extract the gas in the sealed cavity to form a vacuum cavity, thereby avoiding interference from background gas on the target fragment ions. Subsequently, sample source molecules are ejected into the vacuum cavity through the nozzle of the sample source or diffused into the vacuum cavity through a leakage valve, and then the sample source molecules are ionized to obtain sample molecular ions. Specifically, the generation pathway of sample molecular ions can be through electron gun firing electrons to bombard sample source molecules, or through laser ionization or electrospray ionization, and is not limited to these.

[0074] The principle of ion trap devices for capturing molecular ions in samples requires pre-determining the radio frequency (RF) voltage of the device. The ion trap device generates a corresponding RF field based on this voltage. Utilizing the dynamic characteristics of charged particles in this RF field, specific charged particles are confined to a specific region, forming a dynamic potential trap. The alternating characteristics of the RF field cause ions to undergo periodic acceleration and deceleration. Ions cannot escape directly but move around the center of the potential trap in a quasi-periodic manner. The stability of the charged particle's motion can be described by the Matthew equation. When the parameters of the RF voltage satisfy the Matthew first stability region, the ions can achieve stable motion in the RF field and be captured. The first stability region corresponds to the parameter range within which ions achieve equilibrium oscillation in the RF field. Adjusting the voltage and frequency of the RF field allows for the selective capture of ions with a specific mass-to-charge ratio, while ions that do not meet the stability region are expelled from the ion trap due to unstable motion.

[0075] Specifically, the radio frequency (RF) voltage of the ion trap device can be determined according to the following steps to capture sample molecular ions: First, the mass of the ion is calculated based on the type and charge number of the target fragment ion. Specifically, the atomic weight is determined based on the type of the target fragment ion, and the ion mass is calculated based on the ratio of the atomic weight to the charge number of the target fragment ion and Avogadro's constant. Then, the design parameters of the ion trap device are obtained, including the frequency of the electric field applied to the ring electrode and the effective radius of the ion trap. The RF voltage value is calculated based on the ion mass, design parameters, and preset stability parameters to obtain the RF voltage of the ion trap device. Specifically, the stability parameter is a dimensionless parameter in the Matthew equation, usually represented by the lowercase letter q, used to represent the RF AC intensity. The specific calculation formula can be found in the following analytical expression:

[0076] (1),

[0077] Where e is the elementary charge, V is the radio frequency voltage, m is the ion mass, r0 is the effective radius of the ion trap, and Ω is the electric field frequency.

[0078] Finally, the ion trap device is activated based on the calculated radio frequency (RF) voltage, and the ion trap device captures sample molecular ions according to the RF voltage. It should be noted that in actual operation, because the first stability range of the ion trap has a certain range, different ions may simultaneously meet the stability conditions under the same RF voltage. Therefore, the ion trap can capture multiple ions of different masses within a certain range. Thus, even if the RF voltage is calculated based on the characteristics of the target fragment ions, as long as the sample molecular ions meet the stability conditions, the ion trap device can still capture the sample molecular ions.

[0079] In step S102 of some embodiments, a dissociation laser with a specific wavelength is emitted to the sample molecular ions in the ion trap device via a laser photolysis module, thereby achieving photodissociation. This embodiment does not strictly limit the wavelength of the dissociation laser; it can be 200 nm. Different fragment ions will exist in the photodissociation products of the sample molecular ions. The ion trap device will filter and remove fragment ions based on its own generated radio frequency field, thereby retaining the target fragment ion. For example, a dissociation laser is used to dissociate the molecular ion BeOH+ into Be+ and OH (hydroxyl radicals). At this time, the hydroxyl radicals cannot move stably in the ion trap device and are therefore removed, leaving the target fragment ion Be+. As another example, a dissociation laser is used to decompose the molecular ion MgH+ into Mg+ and hydrogen radicals. The ion trap device retains the target fragment ion Mg+ and removes the hydrogen radicals.

[0080] In this embodiment, the laser photolysis module can be a dye laser. It is understood that this embodiment achieves the effect of ion purification, is non-destructive to the ion system, and reduces the accumulation of non-qubit ions, thereby increasing the qubit lifetime. For example, Be+ can act as a qubit, but if background H2 and H2O are present, BeH+ and BeOH+ will be generated. These molecular ions gradually accumulate as the reaction proceeds, leading to the loss of Be+ qubits and decoherence. Therefore, photodissociation of BeH+ and BeOH+ to regenerate Be+ will restore the qubit lifetime. This is a qubit recovery method in the field of quantum computing.

[0081] In step S103 of some embodiments, the target fragment ions are illuminated with probe light to generate a fluorescence signal within the ion trap device. Specifically, the wavelength of the probe light is determined based on the fluorescence characteristics of the target fragment ions. For example, for Be+, a probe light with a wavelength of 313 nm can be used for detection. For Mg+, a probe light with a wavelength of 280 nm can be used for detection.

[0082] It should be noted that the order of the detection illumination, steps S101 and S102 is not strictly limited in the embodiments of this application. The step sequence of first turning on the ion trap device to capture sample molecular ions and photodissociating the sample molecular ions, and then turning on the detection light source to detect the fluorescence signal is only a preferred solution.

[0083] In step S104 of some embodiments, it is understood that the intensity of the fluorescence signal depends on the number of target fragment ions, which in turn depends on the rate of photodissociation.

[0084] In some embodiments, a high-sensitivity camera can be used to acquire images of target fragment ions, thereby enabling the detection of fluorescence signals. A high-sensitivity camera is a photon detection device based on two-dimensional imaging, capable of recording the fluorescence distribution and intensity information of target fragment ions in real time. When the fluorescent photons of the target ion reach the camera's photosensitive element, the photosensitive pixels convert the photon energy into electrons through the photoelectric effect, accumulating a charge signal within each pixel. The charge signal is amplified, then read by an analog-to-digital converter, generating a two-dimensional digital image containing the fluorescence intensity distribution.

[0085] In other embodiments, photomultiplier tubes (PMTs) can be used to detect fluorescence signals. A PMT is a highly sensitive single-point photon detection device that utilizes the photoelectric effect and electron multiplication effect to detect fluorescence signals. When fluorescent photons emitted by target fragment ions enter the PMT, these photons are first absorbed by the photocathode and released as photoelectrons through the photoelectric effect. Subsequently, these photoelectrons enter the multiplication channel of the PMT, and after multiple multiplications, the photoelectrons are amplified into a measurable current signal, which is finally collected and output as a fluorescence signal.

[0086] Please see Figure 2 In some embodiments, step S105 may include, but is not limited to, steps S201 to S203:

[0087] Step S201: Determine the fluorescence decay rate based on the intensity and lifetime of the fluorescence signal.

[0088] Step S202: Calculate the fluorescence decay rate, dissociation wavelength, and dissociation parameters used in the photodissociation operation to obtain the target photodisscattering cross-sectional area.

[0089] Step S203: Adjust the wavelength of the dissociation light in the laser photolysis module, and return to the step of determining the fluorescence decay rate based on the intensity and lifetime of the fluorescence signal.

[0090] In step S201 of some embodiments, during step S104, detailed data on the change of fluorescence signal intensity over time are recorded to generate a time-fluorescence intensity curve, which can intuitively reflect how the fluorescence intensity of the target fragment ions decays over time. Then, the time-fluorescence intensity curve is fitted to obtain the corresponding exponential decay function. During the fitting process, the signal lifetime of the fluorescence signal can be obtained, and the fluorescence decay rate is the reciprocal of the fluorescence lifetime.

[0091] In step S202 of some embodiments, the target photodisscattering cross-sectional area is the effective photodisscattering cross-sectional area under the current illumination conditions, which is used to represent the absorption capacity of the target fragment ions for dissociation light, and the unit is area, usually cm² or m².

[0092] In step S203 of some embodiments, after calculating the target photodisscattering cross-sectional area corresponding to the dissociation at the current wavelength, the wavelength of the dissociated light is changed, and the corresponding target photodisscattering cross-sectional area is recalculated, thereby obtaining multiple target photodisscattering cross-sectional areas. The wavelength of the dissociated light to be adjusted and the number of adjustments can be determined according to the actual application scenario requirements. By adjusting the wavelength and measuring the target photodisscattering cross-sectional area multiple times, it is possible to ultimately cover all scattering cross-sectional data within the required wavelength range to construct a complete photodissociation spectrum.

[0093] Steps S201 to S203 as shown in the embodiments of this application can accurately infer the fluorescence decay rate by means of fluorescence signal intensity and signal lifetime. Based on the fluorescence decay rate, dissociation light wavelength and dissociation light parameters, precise calculations are performed. By adjusting the wavelength of the laser photolysis module and performing cyclic measurements, the effective scattering cross-sectional area corresponding to multiple dissociation light wavelengths is obtained. In other words, the photodissociation capability of the target fragment ion under different wavelength conditions is obtained, which provides the necessary data basis for finally drawing a complete photodissociation spectrum, thereby significantly improving the accuracy and reliability of the photodissociation spectrum measurement of the target fragment ion.

[0094] Please see Figure 3 In some embodiments, the dissociation light parameters include dissociation light energy, dissociation light frequency, and dissociation light spot area. Step S202 may include, but is not limited to, steps S301 to S304:

[0095] Step S301: Based on the wavelength, energy, frequency and area of ​​the dissociated light, the first intermediate data is obtained by integrating and calculating.

[0096] Step S302: Perform exponential calculation based on the preset number of photons and the first intermediate data to obtain photon flux data.

[0097] Step S303: Calculate the target photodisscattering cross-sectional area by multiplying the fluorescence decay rate and photon flux data.

[0098] In step S301 of some embodiments, a first intermediate data may be obtained, including but not limited to the following steps: multiplying the dissociated light spot area A by a preset constant factor, wherein the constant factor includes Planck's constant h, quantum efficiency η, and the speed of light c, to obtain a second intermediate data (hcAη). The quantum efficiency η ranges from 0 to 1; in this embodiment, the quantum efficiency η is 1. Multiplying the dissociated light wavelength λ, dissociated light energy E, and dissociated light frequency f, a third intermediate data (Eλf) is obtained. Then, a division is performed between the second intermediate data (hcAη) and the third intermediate data (Eλf) to obtain the first intermediate data (hcAη). ).

[0099] In step S302 of some embodiments, the photon quantity is the number of photons required for the sample molecular ion to dissociate into basic fragment ions, typically 1 or 2. Photon flux data can be expressed as... .

[0100] In step S303 of some embodiments, the target photodisscattering cross-sectional area can be calculated according to the following analytical expression:

[0101] (2),

[0102] in, Let be the target photodispersive cross-sectional area, r be the fluorescence decay rate, and n be the number of photons. h be Planck's constant, c be the speed of light, A be the area of ​​the dissociated light spot, η be the quantum efficiency, E be the energy of the dissociated light, λ be the wavelength of the dissociated light, and f be the frequency of the dissociated light.

[0103] Steps S301 to S303 shown in the embodiments of this application can comprehensively describe the light scattering and absorption behavior of target fragment ions under specific dissociation light conditions, and can also generate scattering cross-section data under multi-wavelength illumination conditions, providing necessary data support for constructing a complete photodissociation spectrum.

[0104] Prior to step S106 in some embodiments, the spectral detection method proposed in this application further includes energy adjustment of the dissociated light. During the photolysis process, the energy of the dissociated light emitted by the laser photolysis module is easily affected by the environment. In each measurement of the target photoscattering cross-sectional area, it is necessary to stabilize the energy of the dissociated light to ensure the stability of the photolysis operation. Please refer to... Figure 4 The spectral detection method in this application embodiment may also include, but is not limited to, steps S401 to S404:

[0105] Step S401: Detect the dissociation light energy generated by the laser photolysis module during photodissociation operation.

[0106] Step S402: Obtain the preset energy threshold corresponding to the wavelength of the dissociated light.

[0107] Step S403: If the dissociation light energy is not equal to the preset energy threshold, calculate the energy error value between the dissociation light energy and the preset energy threshold.

[0108] Step S404: Generate an adjustment signal based on the energy error value, and adjust the laser photolysis module according to the adjustment signal until the energy error value is less than or equal to a preset error threshold.

[0109] In step S401 of some embodiments, specialized optical energy detection equipment, such as an energy meter, can typically be used. Energy meters operate based on the photoelectric effect or the thermal effect. Taking a photodiode energy meter as an example, when dissociated light shines on a photodiode, a photocurrent proportional to the light energy is generated. By measuring the magnitude of this photocurrent and performing a series of signal conversions and amplifications, the energy value of the dissociated light can ultimately be obtained.

[0110] In step S402 of some embodiments, a database can be established to store preset energy thresholds corresponding to different dissociation wavelengths. It is understood that each preset energy threshold may be different; in this embodiment, the preset energy threshold may be from 10mW to 40mW.

[0111] In step S403 of some embodiments, the dissociated light energy is subtracted from a preset energy threshold, and the absolute value of the result is the energy error value. When the energy error value is greater than a specific value, it can be determined that the current laser energy has deviated from the expectation to a certain extent.

[0112] If the dissociation light energy is equal to the preset energy threshold, then no adjustment operation is required for the laser photolysis module.

[0113] In step S404 of some embodiments, an adjustment signal can be generated according to a PID algorithm and applied to the laser photolysis module. Specifically, the adjustment signal can adjust the angle of the emitting crystal of the dissociated light and readjust the energy of the dissociated light.

[0114] Steps S401 to S404, as illustrated in this embodiment, firstly, precise energy detection and threshold matching ensure that the photodissociation operation is always under the expected energy conditions, guaranteeing that the photodissociation reaction proceeds as expected. Secondly, the introduction of feedback control enables the system to dynamically generate adjustment signals based on real-time energy errors, quickly and stably adjusting the laser photodissociation module. This not only enhances the adaptive capability of the spectral detection system, enabling it to cope with various complex external interferences and rapidly bring the dissociation light energy close to the preset value, but also improves the stability and reliability of the photodissociation reaction, reducing the uncertainty of spectral results caused by energy fluctuations.

[0115] In other embodiments, the power can also be detected and adjusted based on feedback. The adjustment principle is the same as that in steps S401 to S404, and will not be described in detail here.

[0116] In step S106 of some embodiments, the photodissociation spectral information can be a statistical image. For example, the horizontal axis variable of the statistical image is the wavelength of the dissociated light, which can be in nm. The vertical axis variable is the target photodisscattering cross-sectional area, which can be in cm² or m². The photodissociation spectral information can intuitively determine the changing trend of the target photodisscattering cross-sectional area as the wavelength of the dissociating laser changes.

[0117] Please see Figure 5 This application also provides a spectral detection system that can implement the above-described spectral detection method. The system includes:

[0118] Vacuum chamber 1 is used to contain sample molecular ions;

[0119] Ion trap device 2 is disposed inside vacuum chamber 1 and is used to generate a radio frequency field to capture sample molecular ions.

[0120] The laser photolysis module 3 is used to emit dissociation light into the ion trap device 2 to perform photodissociation on the sample molecular ions in the ion trap device 2 to obtain target fragment ions;

[0121] The detection light module 4 is used to emit a detection laser to the ion trap device 2 so that the target fragment ions in the ion trap device 2 generate fluorescence signals at different dissociation light wavelengths.

[0122] Fluorescence signal detection module 5 is used to detect the fluorescence signal of the target fragment ions;

[0123] Signal processing module 6 is connected to fluorescence signal detection module 5 and is used to determine photodissociation spectral information based on fluorescence signal and dissociation light wavelength.

[0124] In some embodiments, the spectral detection system is further equipped with an energy detection module 7, which is connected to the signal processing module 6 and the laser photolysis module 3 respectively. The energy detection module 7 is used to detect the dissociation energy of the dissociated light. The signal processing module 6 is also used to control the laser photolysis module 3 according to the dissociation energy to adjust the dissociation energy.

[0125] In other embodiments, the spectral detection system is also equipped with a multi-stage vacuum pump 8, which is used to extract the gas in the cavity at the beginning of the spectral detection to form a vacuum cavity 1, so as to avoid the interference of background gas on the photodissociation reaction.

[0126] Sample source 9 ejects high-speed sample molecules through the duckbill 10, which then enter the vacuum chamber 1 through the drift tube 11 and are bombarded by the electron gun 12 to generate sample molecular ions.

[0127] The specific implementation of this spectral detection system is basically the same as the specific implementation of the spectral detection method described above, and will not be repeated here.

[0128] This application also provides an electronic device, which includes a memory and a processor. The memory stores a computer program, and the processor executes the computer program to implement the above-described spectral detection method. This electronic device can be any smart terminal, including tablet computers, in-vehicle computers, etc.

[0129] Figure 6 This is a schematic diagram of the structure of the ion trap device 2 provided in the embodiment of this application. The ion trap device 2 in the embodiment of this application includes: a first end ring electrode rod 20, a second end ring electrode rod 21, a first intermediate electrode rod 22, a second intermediate electrode rod 23, a third intermediate electrode rod 24, and a fourth intermediate electrode rod 25.

[0130] Figure 7 This is a timing diagram of the spectral detection system provided in this application performing the spectral detection method. Specifically, the sample source generates sample source molecules during time period t0 and ejects them into the vacuum chamber. Subsequently, the electron gun emits electrons during time period t1 to bombard the sample, initiating an ionization process to generate sample molecular ions. The detection laser and the radio frequency field of the ion trap device are simultaneously activated, with the radio frequency field remaining activated from time period t2 to t4. Photodissociation begins inside the ion trap device. The detection light is activated during time period t3 to allow the information processing module to receive fluorescence information. The information processing module needs to perform timing control and stability regulation of the entire photodissociation detection process. Simultaneously, it needs to perform data analysis, correction, and processing of the acquired target ion spectral information.

[0131] Please see Figure 8 , Figure 8 The hardware structure of an electronic device according to another embodiment is illustrated. The electronic device includes:

[0132] The processor 801 can be implemented using a general-purpose CPU (Central Processing Unit), microprocessor, application-specific integrated circuit (ASIC), or one or more integrated circuits, and is used to execute relevant programs to implement the technical solutions provided in the embodiments of this application.

[0133] The memory 802 can be implemented as a read-only memory (ROM), a static storage device, a dynamic storage device, or a random access memory (RAM). The memory 802 can store the operating system and other application programs. When the technical solutions provided in the embodiments of this specification are implemented through software or firmware, the relevant program code is stored in the memory 802 and is called and executed by the processor 801 using the spectral detection method of the embodiments of this application.

[0134] The 803 input / output interface is used to implement information input and output.

[0135] The communication interface 804 is used to enable communication and interaction between this device and other devices. Communication can be achieved through wired means (such as USB, Ethernet cable, etc.) or wireless means (such as mobile network, WIFI, Bluetooth, etc.).

[0136] Bus 805 transmits information between various components of the device (e.g., processor 801, memory 802, input / output interface 803, and communication interface 804);

[0137] The processor 801, memory 802, input / output interface 803, and communication interface 804 are connected to each other within the device via bus 805.

[0138] This application also provides a computer-readable storage medium storing a computer program that, when executed by a processor, implements the above-described spectral detection method.

[0139] Memory, as a non-transitory computer-readable storage medium, can be used to store non-transitory software programs and non-transitory computer-executable programs. Furthermore, memory may include high-speed random access memory, and may also include non-transitory memory, such as at least one disk storage device, flash memory device, or other non-transitory solid-state storage device. In some embodiments, memory may optionally include memory remotely located relative to the processor, and these remote memories can be connected to the processor via a network. Examples of such networks include, but are not limited to, the Internet, intranets, local area networks, mobile communication networks, and combinations thereof.

[0140] The spectral detection method, system, electronic device, and storage medium provided in this application capture sample molecular ions containing target fragment ions using an ion trap device, and then perform photodissociation on these ions using a laser photolysis module to obtain the target fragment ions. Next, the target fragment ions are illuminated to generate fluorescence signals, which are then detected. The target photodispersive cross-sectional area is calculated based on the fluorescence signals and different dissociation wavelengths, and the photodissociation spectral information is then integrated to obtain the spectral information. This process does not require the complex time-of-flight recording and analysis that time-of-flight mass spectrometry relies on, thus avoiding dependence on demanding operating environments. This embodiment, in a relatively stable environment, ensures the accuracy and stability of detection based on a controllable ion capture and photodissociation process, solving the problem of low accuracy in photodissociation spectroscopy in related technologies, and providing a reliable method for accurately measuring the photodissociation spectra of specific particles.

[0141] The embodiments described in this application are for the purpose of more clearly illustrating the technical solutions of the embodiments of this application, and do not constitute a limitation on the technical solutions provided by the embodiments of this application. As those skilled in the art will know, with the evolution of technology and the emergence of new application scenarios, the technical solutions provided by the embodiments of this application are also applicable to similar technical problems.

[0142] Those skilled in the art will understand that the technical solutions shown in the figures do not constitute a limitation on the embodiments of this application, and may include more or fewer steps than shown, or combine certain steps, or different steps.

[0143] The device embodiments described above are merely illustrative. The units described as separate components may or may not be physically separate; that is, they may be located in one place or distributed across multiple network units. Some or all of the modules can be selected to achieve the purpose of this embodiment according to actual needs.

[0144] Those skilled in the art will understand that all or some of the steps in the methods disclosed above, as well as the functional modules / units in the systems and devices, can be implemented as software, firmware, hardware, or suitable combinations thereof.

[0145] The terms “first,” “second,” “third,” “fourth,” etc. (if present) in the specification and accompanying drawings of this application are used to distinguish similar objects and are not necessarily used to describe a specific order or sequence. It should be understood that such data can be interchanged where appropriate so that the embodiments of this application described herein can be implemented in orders other than those illustrated or described herein. Furthermore, the terms “comprising” and “having,” and any variations thereof, are intended to cover non-exclusive inclusion; for example, a process, method, system, product, or apparatus that comprises a series of steps or units is not necessarily limited to those steps or units explicitly listed, but may include other steps or units not explicitly listed or inherent to such processes, methods, products, or apparatus.

[0146] It should be understood that in this application, "at least one (item)" means one or more, and "more than" means two or more. "And / or" is used to describe the relationship between related objects, indicating that three relationships can exist. For example, "A and / or B" can represent three cases: only A exists, only B exists, and both A and B exist simultaneously, where A and B can be singular or plural. The character " / " generally indicates that the preceding and following related objects are in an "or" relationship. "At least one (item) of the following" or similar expressions refer to any combination of these items, including any combination of single or plural items. For example, at least one (item) of a, b, or c can represent: a, b, c, "a and b", "a and c", "b and c", or "a and b and c", where a, b, and c can be single or multiple.

[0147] In the several embodiments provided in this application, it should be understood that the disclosed apparatus and methods can be implemented in other ways. For example, the apparatus embodiments described above are merely illustrative; for instance, the division of the units described above is only a logical functional division, and in actual implementation, there may be other division methods. For example, multiple units or components may be combined or integrated into another system, or some features may be ignored or not executed. Furthermore, the coupling or direct coupling or communication connection shown or discussed may be through some interfaces; the indirect coupling or communication connection between apparatuses or units may be electrical, mechanical, or other forms.

[0148] The units described above as separate components may or may not be physically separate. The components shown as units may or may not be physical units; that is, they may be located in one place or distributed across multiple network units. Some or all of the units can be selected to achieve the purpose of this embodiment according to actual needs.

[0149] Furthermore, the functional units in the various embodiments of this application can be integrated into one processing unit, or each unit can exist physically separately, or two or more units can be integrated into one unit. The integrated unit can be implemented in hardware or as a software functional unit.

[0150] If the integrated unit is implemented as a software functional unit and sold or used as an independent product, it can be stored in a computer-readable storage medium. Based on this understanding, the technical solution of this application, in essence, or the part that contributes to the prior art, or all or part of the technical solution, can be embodied in the form of a software product. This computer software product is stored in a storage medium and includes multiple instructions to cause a computer device (which may be a personal computer, server, or network device, etc.) to execute all or part of the steps of the methods of the various embodiments of this application. The aforementioned storage medium includes various media capable of storing programs, such as USB flash drives, portable hard drives, read-only memory (ROM), random access memory (RAM), magnetic disks, or optical disks.

[0151] The preferred embodiments of the present application have been described above with reference to the accompanying drawings, but this does not limit the scope of the claims of the present application. Any modifications, equivalent substitutions, and improvements made by those skilled in the art without departing from the scope and substance of the embodiments of the present application shall be within the scope of the claims of the present application.

Claims

1. A spectral detection method, characterized in that, The method is applied to a spectral detection system, which includes a vacuum chamber, an ion trap device, and a laser photolysis module, wherein the ion trap device is disposed within the vacuum chamber; the method includes: The ion trap device captures sample molecular ions containing target fragment ions within the vacuum chamber. The laser photolysis module performs photodissociation on the sample molecular ions in the ion trap device to obtain target fragment ions. The target fragment ions are illuminated with detection light to induce fluorescence signals in the target fragment ions within the ion trap device; Detect the fluorescence signal of the target fragment ions; The fluorescence decay rate is determined based on the intensity of the fluorescence signal and the signal lifetime of the fluorescence signal; Determine the fluorescence decay rate, at least two different dissociation wavelengths, and the dissociation parameters used in the photodissociation operation, wherein the dissociation parameters include dissociation energy, dissociation frequency, and dissociation spot area; The area of ​​the dissociated light spot is multiplied by a preset constant factor to obtain the second intermediate data; wherein the constant factor includes Planck's constant h, quantum efficiency η, and speed of light c; The third intermediate data is obtained by multiplying the wavelength of the dissociated light, the energy of the dissociated light, and the frequency of the dissociated light. The first intermediate data is obtained by dividing the second intermediate data and the third intermediate data. Based on the preset number of photons and the first intermediate data, an exponential calculation is performed, with the first intermediate data as the base and the number of photons as the exponent, to obtain the photon flux data; wherein, the number of photons is the number of photons that the sample molecular ion needs to absorb to dissociate into basic fragment ions; The target photodisscattering cross-sectional area is obtained by multiplying the fluorescence decay rate and the photon flux data; the dissociation wavelength of the laser photodissolution module is adjusted, and the process returns to the step of determining the fluorescence decay rate based on the intensity and lifetime of the fluorescence signal. The photodissociation spectrum information is obtained by integrating the data based on the target photodisscattering cross-sectional area corresponding to at least two of the dissociation light wavelengths.

2. The method according to claim 1, characterized in that, Before integrating the data based on the target photodisscattering cross-sectional area corresponding to at least two of the dissociated light wavelengths to obtain photodissociation spectral information, the method further includes: Detect the dissociation light energy generated by the laser photolysis module during the photodissociation operation; Obtain a preset energy threshold corresponding to the wavelength of the dissociated light; If the dissociation light energy is not equal to the preset energy threshold, calculate the energy error value between the dissociation light energy and the preset energy threshold; An adjustment signal is generated based on the energy error value, and the laser photolysis module is adjusted according to the adjustment signal until the energy error value is less than or equal to a preset error threshold.

3. The method according to any one of claims 1 to 2, characterized in that, The capture of sample molecular ions containing target fragment ions within the vacuum chamber via the ion trap device includes: The mass of the target fragment ions is calculated based on their type and charge number to obtain the ion mass. Obtain the design parameters of the ion trap device; The radio frequency voltage of the ion trap device is obtained by calculating the radio frequency voltage value based on the ion mass, the design parameters, and the preset stability parameters. The ion trap device captures molecular ions from the sample according to the radio frequency voltage.

4. A spectral detection system for performing the method according to any one of claims 1 to 3, characterized in that, The spectral detection system is deployed with: A vacuum chamber used to contain sample molecular ions; An ion trap device, disposed within the vacuum chamber, is used to generate a radio frequency field to capture molecular ions from the sample. A laser photolysis module is used to emit dissociation light into the ion trap device to perform photodissociation on the sample molecular ions in the ion trap device to obtain target fragment ions; A detection light module is used to emit a detection laser to the ion trap device so that the target fragment ions in the ion trap device generate fluorescence signals at different dissociation light wavelengths; A fluorescence signal detection module is used to detect the fluorescence signal of the target fragment ions; A signal processing module, connected to the fluorescence signal detection module, is used to determine photodissociation spectral information based on the fluorescence signal and the dissociation light wavelength.

5. The spectral detection system according to claim 4, characterized in that, The spectral detection system is also equipped with an energy detection module, which is connected to the signal processing module and the laser photolysis module. The energy detection module is used to detect the dissociation energy of the dissociated light. The signal processing module is also used to control the laser photolysis module according to the dissociation energy to adjust the dissociation energy.

6. An electronic device, characterized in that, The electronic device includes a memory and a processor, the memory storing a computer program, and the processor executing the computer program to implement the spectral detection method according to any one of claims 1 to 3.

7. A computer-readable storage medium storing a computer program, characterized in that, When the computer program is executed by the processor, it implements the spectral detection method according to any one of claims 1 to 3.

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