Method and equipment for determining relative mass distribution of protein in protein separation experiment

Abstract

The embodiment of the invention relates to a method and equipment for determining relative mass distribution of protein in a protein separation experiment. The method comprises the following steps: determining the substance concentration detected by a detector by using a signal value of a protein separation map; according to the substance concentration corresponding to the area of the protein separation map, obtaining the protein relative mass corresponding to the protein separation map; and according to the protein relative mass corresponding to each separated protein map in the protein maps, determining the distribution condition of the protein relative mass in the protein separation experiment. According to the technical scheme, the relative mass distribution condition of the protein in the protein separation experiment can be accurately determined.

Description

Technical Field

[0001] The present invention relates to the technical field of data processing, and in particular to a method, device, equipment and storage medium for determining relative mass distribution of proteins in a protein separation experiment. Background Art

[0002] In liquid phase purification and other similar experiments, it is sometimes necessary to collect the target protein or identify the specific situation of the relative mass distribution of the protein in the current entire spectrum from the separated protein spectra. However, general analysis methods can only obtain the area and height of the spectrum peak in a certain specified area, but cannot directly obtain the relative amount of the protein in the spectrum peak.

[0003] When the uniform protein concentration (the range that the detector can sense) is maintained for a period of time under the condition of constant flow rate, the response height of the detector signal is proportional to the concentration; therefore, many experimenters simply believe that the amount of protein separated in the protein separation experiment and the peak area of ​​the spectrum corresponding to the detector signal are also linearly positively correlated through the origin of the coordinate, but this conclusion is actually incorrect. Therefore, it is also incorrect to use this proportional relationship to estimate the relative mass of proteins contained in different peaks in the spectrum.

[0004] In protein separation experiments, proteins are not evenly mixed with the solution after elution, which means that the area and height of the protein signal spectrum are not simply proportional to its mass. That is, there will be large errors in estimating the protein mass using area and peak height. Summary of the invention

[0005] The invention provides a method, device, equipment and storage medium for determining the relative mass distribution of proteins in a protein separation experiment, aiming at accurately determining the relative mass distribution of proteins in the protein separation experiment.

[0006] In a first aspect, an embodiment of the present invention provides a method for determining the relative mass distribution of proteins in a protein separation experiment, comprising:

[0007] The concentration of the substance detected by the detector is determined using the signal value of the separated protein spectrum;

[0008] According to the concentration of the substance corresponding to the area of ​​the separated protein spectrum, the relative mass of the protein corresponding to the separated protein spectrum is obtained;

[0009] The distribution of the relative mass of proteins in the protein separation experiment is determined according to the relative mass of proteins corresponding to each of the separated protein maps in the protein map.

[0010] In a second aspect, an embodiment of the present invention provides a device for determining relative mass distribution of proteins in a protein separation experiment, comprising:

[0011] A substance concentration determination module, used to determine the substance concentration detected by the detector using the signal value of the separated protein spectrum;

[0012] A protein relative mass determination module, used to obtain the protein relative mass corresponding to the separated protein spectrum according to the concentration of the substance corresponding to the area of ​​the separated protein spectrum;

[0013] The distribution determination module is used to determine the distribution of the relative mass of proteins in the protein separation experiment according to the relative mass of proteins corresponding to each of the separated protein maps in the protein map.

[0014] In a third aspect, an embodiment of the present invention provides an electronic device, including:

[0015] one or more processors;

[0016] A memory for storing one or more programs;

[0017] When the one or more programs are executed by the one or more processors, the one or more processors implement the method for determining the relative mass distribution of proteins in a protein separation experiment as provided in any embodiment of the present invention.

[0018] In a fourth aspect, an embodiment of the present invention provides a storage medium comprising computer executable instructions, which, when executed by a computer processor, are used to perform a method for determining relative mass distribution of proteins in a protein separation experiment as provided in any embodiment of the present invention.

[0019] The embodiments of the present invention provide a method, device, equipment and storage medium for determining the relative mass distribution of proteins in a protein separation experiment. The relative mass of proteins corresponding to a separated protein spectrum is estimated by the relationship between the area of ​​the separated protein spectrum and the relative mass of the protein values ​​within the area. This solves the problem that the peak area of ​​the spectrum obtained according to the amount of protein separated and the detector signal is linearly positively correlated, which leads to large errors in estimating the relative mass of proteins contained in different separated protein spectra in the spectrum, thereby achieving accurate determination of the relative mass distribution of proteins in a protein separation experiment. BRIEF DESCRIPTION OF THE DRAWINGS

[0020] Figure 1 A flow chart of a method for determining relative mass distribution of proteins in a protein separation experiment provided in Example 1 of the present invention;

[0021] Figure 2A schematic diagram of the structure of a device for determining relative mass distribution of proteins in a protein separation experiment provided in Example 2 of the present invention;

[0022] Figure 3 A schematic diagram of the structure of an electronic device provided in Embodiment 3 of the present invention;

[0023] Figure 4 is a protein map of an exemplary protein separation experiment in an embodiment of the present invention;

[0024] Figure 5 This is a curve diagram of exemplary preset parameter fitting in an embodiment of the present invention. DETAILED DESCRIPTION

[0025] The present invention will be further described in detail below in conjunction with the accompanying drawings and embodiments. It is to be understood that the specific embodiments described herein are only used to explain the present invention, rather than to limit the present invention. It should also be noted that, for ease of description, only parts related to the present invention, rather than all structures, are shown in the accompanying drawings.

[0026] In the prior art, such as Figure 4 The protein spectrum of the protein separation experiment shown in the figure has four peaks, and their distribution is shown in Table 1:

[0027] Table 1

[0028]

[0029] The actual mass distribution is shown in Table 2:

[0030] Table 2

[0031]

[0032] Therefore, it is inaccurate to use linear multiples to estimate the relative mass of proteins contained in different peaks in the spectrum. Figure 4 The experimental spectrum is obtained by injecting the same concentration of protein solution, but with different injection volumes; it goes directly to the detector without passing through the ion exchange column. Therefore, it can be considered that the injection volume is equal to the output volume. The relative mass of protein calculated in this application has a certain error compared with the actual injection volume, and the smaller the injection volume, the greater the error; but it can still have a certain guiding significance for the actual collection volume.

[0033] Embodiment 1

[0034] Figure 1The present invention provides a flowchart of a method for determining the relative mass distribution of proteins in a protein separation experiment according to the first embodiment of the present invention. The present embodiment is applicable to a scenario in which the relative mass distribution of proteins is determined in a protein separation experiment. The method can be performed by a device for determining the relative mass distribution of proteins in a protein separation experiment. The device can be implemented by hardware and / or software and can generally be integrated in an electronic device, such as a computer device. The method specifically includes:

[0035] Step 110: Determine the concentration of the substance detected by the detector using the signal value of the separated protein spectrum.

[0036] Among them, the detector detects protein, and for a certain detector, there is a relationship between the concentration of the detected substance and its signal value, and this relationship is relatively stable. The signal value of the separated protein spectrum can be used to determine the concentration of the substance detected by the detector.

[0037] Step 120: derive the relative mass of the protein corresponding to the separated protein spectrum according to the concentration of the substance corresponding to the area of ​​the separated protein spectrum.

[0038] The relative amount collected can be understood as volume*concentration. The relative mass estimation method of the protein in the embodiment of the present invention is based on the signal value of the separated protein spectrum corresponding to the substance concentration. From the perspective of integration, the area under the signal value curve combined with the substance concentration corresponding to the signal value can derive the relative mass of the protein corresponding to the separated protein spectrum.

[0039] Step 130: Determine the distribution of the relative mass of proteins in the protein separation experiment according to the relative mass of proteins corresponding to each of the separated protein profiles in the protein profile.

[0040] Among them, by determining the relative mass of the protein corresponding to each separated protein spectrum, the distribution of the relative mass of the protein in the protein separation experiment can be further determined.

[0041] The technical solution of this embodiment estimates the relative mass of the protein corresponding to the separated protein spectrum by the relationship between the area of ​​the separated protein spectrum and the relative mass of the protein value within the area, which solves the problem that the peak area of ​​the spectrum obtained according to the amount of protein separated and the detector signal is linearly positively correlated, resulting in large errors in estimating the relative mass of proteins contained in different separated protein spectra in the spectrum, and realizes accurate determination of the relative mass distribution of proteins in protein separation experiments.

[0042] Optionally, the method of using the signal value of the separated protein spectrum to determine the concentration of the substance detected by the detector includes:

[0043] The substance concentration corresponding to the signal value is determined according to a preset relationship between the signal value and the substance concentration.

[0044] Optionally, determining the substance concentration corresponding to the signal value according to a preset relationship between the signal value and the substance concentration includes:

[0045] The concentration of the substance is calculated according to the following formula:

[0046] M=k*h w +b

[0047] Among them, M represents the concentration of the substance detected by the detector at time T, k, w, and b are preset parameters, and h is the signal value at time T.

[0048] Optionally, obtaining the relative mass of the protein corresponding to the separated protein map according to the concentration of the substance corresponding to the area of ​​the separated protein map comprises:

[0049] According to the distribution of the signal values ​​in the separated protein spectrum, the substance concentration corresponding to the signal values ​​is integrated to obtain the relative mass of the protein corresponding to the separated protein spectrum.

[0050] Optionally, the step of integrating the substance concentration corresponding to the signal value according to the distribution of the signal value in the separated protein map to obtain the relative mass of the protein corresponding to the separated protein map comprises:

[0051] The relative mass of the protein was calculated according to the following formula:

[0052]

[0053] Wherein, M represents the concentration of the substance detected by the detector at time T, and Vol represents the total amount of the substance in the time range from time t0 to time t1.

[0054] The preset parameters k, w, and b are general parameters of the function, which are related to the detector. If the detectors are of the same model, that is, the performance differences are not large, k, w, and b are basically universal. They will not change greatly with the different injected proteins and samples. The preset parameters can be obtained by using the iterative least squares method to fit all the signal points (time, signal value) of the four peaks, the mass of the four peaks, and the fitting mathematical model using the above two formulas. Among them, the curve needs to pass through the coordinate origin (0,0) (such as Figure 5The fitting curve shown is consistent with the linear trend). This method realizes that the relative amount of protein substances does not need to be obtained by collecting and processing each protein; making the experimental analysis more convenient and efficient. The result of the formula calculation is the relative amount of protein under the corresponding area; this value has no mass unit; this value is only marked as the relative amount of the substance compared with other protein peaks in the spectrum of the embodiment of the present invention or the spectrum of the same experiment.

[0055] Embodiment 2

[0056] Figure 2 A schematic diagram of a device for determining the relative mass distribution of proteins in a protein separation experiment provided in the second embodiment of the present invention is shown in FIG. Figure 2 As shown, the device for determining the relative mass distribution of proteins in the protein separation experiment comprises: a substance concentration determination module 210, a protein relative mass determination module 220 and a distribution determination module 230, wherein:

[0057] A substance concentration determination module 210, for determining the substance concentration detected by the detector using the signal value of the separated protein spectrum;

[0058] The protein relative mass determination module 220 is used to obtain the protein relative mass corresponding to the separated protein spectrum according to the concentration of the substance corresponding to the area of ​​the separated protein spectrum;

[0059] The distribution determination module 230 is used to determine the distribution of the relative mass of proteins in the protein separation experiment according to the relative mass of proteins corresponding to each of the separated protein profiles in the protein profile.

[0060] Optionally, the substance concentration determination module is specifically used to determine the substance concentration corresponding to the signal value according to a preset relationship between the signal value and the substance concentration.

[0061] Optionally, a substance concentration determination module is specifically used to:

[0062] The concentration of the substance is calculated according to the following formula:

[0063] M=k*h w +b

[0064] Among them, M represents the concentration of the substance detected by the detector at time T, k, w, and b are preset parameters, and h is the signal value at time T.

[0065] Optionally, the protein relative mass determination module is specifically used to obtain the protein relative mass corresponding to the separated protein map by integrating the substance concentration corresponding to the signal value according to the distribution of the signal value in the separated protein map.

[0066] Optionally, the protein relative mass determination module is specifically used to calculate the protein relative mass according to the following formula:

[0067]

[0068] Wherein, M represents the concentration of the substance detected by the detector at time T, and Vol represents the total amount of the substance in the time range from time t0 to time t1.

[0069] The device for determining the relative mass distribution of proteins in a protein separation experiment provided in an embodiment of the present invention can execute the method for determining the relative mass distribution of proteins in a protein separation experiment provided in any embodiment of the present invention, and has the corresponding functional modules and beneficial effects of the execution method.

[0070] Embodiment 3

[0071] Figure 3 A schematic diagram of the structure of an electronic device provided in Embodiment 3 of the present invention is shown in FIG. Figure 3 As shown, the electronic device includes a processor 310, a memory 320, an input device 330 and an output device 340; the number of the processor 310 in the electronic device can be one or more. Figure 3 A processor 310 is taken as an example; the processor 310, the memory 320, the input device 330 and the output device 340 in the electronic device can be connected via a bus or other means. Figure 3 The example of connecting through bus is taken in the following.

[0072] The memory 320, as a computer-readable storage medium, can be used to store software programs, computer executable programs and modules, such as the program instructions / modules corresponding to the method for determining the relative mass distribution of proteins in a protein separation experiment in the embodiment of the present invention (for example, the substance concentration determination module 210, the protein relative mass determination module 220 and the distribution determination module 230 in the device for determining the relative mass distribution of proteins in a protein separation experiment). The processor 310 executes various functional applications and data processing of the electronic device by running the software programs, instructions and modules stored in the memory 320, that is, realizes the above-mentioned method for determining the relative mass distribution of proteins in a protein separation experiment.

[0073] The memory 320 may mainly include a program storage area and a data storage area, wherein the program storage area may store an operating system and at least one application required for a function; the data storage area may store data created according to the use of the terminal, etc. In addition, the memory 320 may include a high-speed random access memory, and may also include a non-volatile memory, such as at least one disk storage device, a flash memory device, or other non-volatile solid-state storage device. In some instances, the memory 320 may further include a memory remotely arranged relative to the processor 310, and these remote memories may be connected to the electronic device via a network. Examples of the above-mentioned network include, but are not limited to, the Internet, an intranet, a local area network, a mobile communication network, and combinations thereof.

[0074] The input device 330 may be used to receive input digital or character information and generate key signal input related to user settings and function control of the electronic device. The output device 340 may include a display device such as a display screen.

[0075] Embodiment 4

[0076] Embodiment 4 of the present invention further provides a storage medium comprising computer executable instructions, wherein the computer executable instructions, when executed by a computer processor, are used to perform a method for determining the relative mass distribution of proteins in a protein separation experiment, comprising:

[0077] The concentration of the substance detected by the detector is determined using the signal value of the separated protein spectrum;

[0078] According to the concentration of the substance corresponding to the area of ​​the separated protein spectrum, the relative mass of the protein corresponding to the separated protein spectrum is obtained;

[0079] The distribution of the relative mass of proteins in the protein separation experiment is determined according to the relative mass of proteins corresponding to each of the separated protein maps in the protein map.

[0080] Of course, the computer executable instructions of a storage medium containing computer executable instructions provided in an embodiment of the present invention are not limited to the method operations described above, and can also execute related operations in the method for determining the relative mass distribution of proteins in a protein separation experiment provided in any embodiment of the present invention.

[0081] Through the above description of the implementation methods, the technicians in the relevant field can clearly understand that the present invention can be implemented by means of software and necessary general hardware, and of course it can also be implemented by hardware, but in many cases the former is a better implementation method. Based on such an understanding, the technical solution of the present invention, in essence, or the part that contributes to the prior art, 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 a computer floppy disk, read-only memory (ROM), random access memory (RAM), flash memory (FLASH), hard disk or optical disk, etc., including a number of instructions for a computer device (which can be a personal computer, server, or network device, etc.) to execute the methods described in each embodiment of the present invention.

[0082] It is worth noting that in the embodiment of the device for determining the relative mass distribution of proteins in the above-mentioned protein separation experiment, the various units and modules included are only divided according to functional logic, but are not limited to the above-mentioned division, as long as the corresponding functions can be achieved; in addition, the specific names of the functional units are only for the convenience of distinguishing each other, and are not used to limit the scope of protection of the present invention.

[0083] Although the present invention has been described in detail above by means of general description, specific implementation methods and tests, it is obvious to those skilled in the art that some modifications or improvements may be made to the present invention. Therefore, these modifications or improvements made without departing from the spirit of the present invention all fall within the scope of protection claimed by the present invention.

Claims

1. A method for determining the relative mass distribution of proteins in a protein separation experiment, characterized in that: include: The concentration of the substance detected by the detector is determined using the signal value of the separated protein spectrum; According to the concentration of the substance corresponding to the area of ​​the separated protein spectrum, the relative mass of the protein corresponding to the separated protein spectrum is obtained; The distribution of the relative mass of proteins in the protein separation experiment is determined according to the relative mass of proteins corresponding to each of the separated protein maps in the protein map.

2. The method according to claim 1, characterized in that The method of using the signal value of the separated protein spectrum to determine the concentration of the substance detected by the detector comprises: The substance concentration corresponding to the signal value is determined according to a preset relationship between the signal value and the substance concentration.

3. The method according to claim 2, characterized in that The determining the substance concentration corresponding to the signal value according to a preset relationship between the signal value and the substance concentration includes: The concentration of the substance is calculated according to the following formula: M=k*h w +b Among them, M represents the concentration of the substance detected by the detector at time T, k, w, and b are preset parameters, and h is the signal value at time T.

4. The method according to claim 2 or 3, characterized in that: The step of obtaining the relative mass of the protein corresponding to the separated protein spectrum according to the concentration of the substance corresponding to the area of ​​the separated protein spectrum comprises: According to the distribution of the signal values ​​in the separated protein spectrum, the substance concentration corresponding to the signal values ​​is integrated to obtain the relative mass of the protein corresponding to the separated protein spectrum.

5. The method according to claim 4, characterized in that The method of integrating the substance concentration corresponding to the signal value according to the distribution of the signal value in the separated protein spectrum to obtain the relative mass of the protein corresponding to the separated protein spectrum comprises: The relative mass of the protein was calculated according to the following formula: Among them, M represents the concentration of the substance detected by the detector at time T, and Vol represents the total amount of the substance in the time range from time t0 to time t1.

6. A device for determining the relative mass distribution of proteins in a protein separation experiment, characterized in that: include: A substance concentration determination module, used to determine the substance concentration detected by the detector using the signal value of the separated protein spectrum; A protein relative mass determination module, used to obtain the protein relative mass corresponding to the separated protein spectrum according to the concentration of the substance corresponding to the area of ​​the separated protein spectrum; The distribution determination module is used to determine the distribution of the relative mass of proteins in the protein separation experiment according to the relative mass of proteins corresponding to each of the separated protein maps in the protein map.

7. The device according to claim 6, characterized in that The substance concentration determination module is specifically configured to determine the substance concentration corresponding to the signal value according to a preset relationship between the signal value and the substance concentration.

8. The device according to claim 6, characterized in that The protein relative mass determination module is specifically used to obtain the protein relative mass corresponding to the separated protein map by integrating the substance concentration corresponding to the signal value according to the distribution of the signal value in the separated protein map.

9. An electronic device, characterized in that: include: one or more processors; A memory for storing one or more programs; When the one or more programs are executed by the one or more processors, the one or more processors implement the method for determining the relative mass distribution of proteins in a protein separation experiment as described in any one of claims 1 to 5.

10. A storage medium containing computer executable instructions, characterized in that: When the computer executable instructions are executed by a computer processor, they are used to perform the method for determining the relative mass distribution of proteins in a protein separation experiment as described in any one of claims 1 to 5.

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