Intelligent experimental apparatus for organic chemistry

Abstract

The application provides an organic chemistry intelligent experiment device, which comprises an intelligent experiment platform and an intelligent control system; the intelligent control system is used for automatically recommending experiment information such as material type, proportion, dosage, reaction temperature, stirring speed and intermediate reaction sampling interval length according to received experiment task information, and then controlling the intelligent experiment platform to complete the experiment; according to analysis and evaluation of the experiment result, the experiment data of the next batch of experiments are automatically optimized and recommended; the cycle is repeated until a satisfactory optimization target is reached. The organic chemistry intelligent experiment device provided by the application integrates the existing intelligent experiment platform with artificial intelligence technology, and can realize real-time prediction, planning, guidance, perception and optimization of the experiment situation.

Description

Technical Field

[0001] This invention relates to the field of organic chemistry experimental technology, and in particular to an intelligent experimental device for organic chemistry. Background Technology

[0002] Automated / intelligent experimental apparatus for organic chemistry typically utilizes program-controlled balances, solvent pumps, heating, stirring, centrifugation, and other devices, combined with guide rails, robotic arms, and end effectors, to automatically complete experimental processes such as solid / liquid dispensing, weighing, reaction, and separation. This can significantly improve operational efficiency, accuracy, and repeatability, while reducing human and accidental errors.

[0003] Most existing fully automated / "intelligent" experimental devices rely on manual input of reaction conditions, duration, and other information based on known reaction conditions. The experiment automatically stops when the timer expires. Their "intelligence" remains at the stage of simply integrating machine learning technology with automated experimental devices, and has not yet achieved real-time prediction, planning, guidance, perception, and optimization of the experimental situation using artificial intelligence technology. Summary of the Invention

[0004] This invention aims to address at least one of the technical problems existing in the prior art. To this end, this invention provides an intelligent organic chemistry experimental device, aiming to solve the problem that existing automated / intelligent experimental devices cannot utilize artificial intelligence technology for real-time prediction, planning, guidance, perception, and optimization of experimental situations.

[0005] This invention provides an intelligent experimental device for organic chemistry, comprising an intelligent experimental platform and an intelligent control system. The intelligent control system includes an instruction receiving module, a database module, an experimental information management module, a scheduling module, an automatic spectrum analysis module, and an evaluation module.

[0006] The instruction receiving module is used to receive experimental task information;

[0007] The database module stores historical experimental data. The database module is used to build an interpretability model based on the experimental task information and the historical experimental data, and to automatically recommend experimental information based on the interpretability model. The experimental information includes at least the material type, ratio, dosage, reaction temperature, stirring speed, and intermediate reaction sampling interval.

[0008] The experimental information management module is used to receive the experimental information recommended by the database module and the evaluation module, and determine the latest experimental information as the target experimental information based on the time of receiving the experimental information. The experimental information management module is used to collect the reaction spectrum output by the intelligent experimental platform and the analysis and processing data of the spectrum by the automatic spectrum analysis module. The experimental information management module judges the experimental progress based on the analysis and processing data to stop the reaction process in a timely manner, or terminate the experiment when the preset optimization target is reached.

[0009] The scheduling module controls the intelligent experimental platform to perform ingredient preparation, reaction, and reaction spectrum plotting based on the target experimental information;

[0010] The automatic spectrum analysis module is used to analyze the reaction spectrum and output the analysis data.

[0011] The evaluation module is used to automatically evaluate and recommend the next batch of experimental information based on the target experimental information and the analysis and processing data of the automatic spectrum analysis module, using a black-box optimization algorithm.

[0012] The intelligent experimental apparatus for organic chemistry provided by the present invention includes:

[0013] A sample stage, on which the reaction vessel and reagent container are placed;

[0014] A container storage device, wherein a first clamping assembly is provided on the container storage device, the first clamping assembly being used to clamp or release the reaction container or the reagent container;

[0015] The second reaction vessel placement device is used to place the reaction vessel after it has been opened.

[0016] At least one stirring and heating device, each of which is provided with a plurality of third reaction vessel placement devices, and each third reaction vessel placement device is provided with a second clamping assembly;

[0017] A container transfer device, wherein the movable end of the container transfer device is used to move between the sample stage, the container storage device, the second reaction container placement device and the third reaction container placement device, and the movable end of the container transfer device is provided with a rotating device and a third clamping assembly, the third clamping assembly being used to clamp or release the reaction container or the reagent container, and the rotating device being used to drive the third clamping assembly to rotate.

[0018] A pipetting device, which is used to move between the container storage device and the second reaction vessel placement device, and to transfer reagents in the reagent container into the reaction vessel;

[0019] A reaction dynamic monitoring device, comprising an in-situ infrared spectrometer and / or a gas chromatograph-coupled instrument, wherein the reaction dynamic monitoring device plots reaction chromatograms based on the detected experimental parameters;

[0020] The container transfer device, the stirring and heating device, the container temporary storage device, and the pipetting device are all electrically connected to the scheduling module, and the reaction dynamic monitoring device is communicatively connected to the automatic spectrum analysis module.

[0021] According to the intelligent organic chemistry experimental apparatus provided by the present invention, the container transfer device includes:

[0022] A first transfer device, comprising a first robotic arm, wherein the moving end of the first robotic arm is provided with a first connecting end and a second connecting end, the first connecting end being connected to the third clamping assembly via the rotating device, and the pipetting device being disposed at the second connecting end; the first robotic arm is used to drive the third clamping assembly to move between the sample stage, the container storage device and the second reaction container placement device, and the first robotic arm is also used to drive the pipetting device to move between the container storage device and the second reaction container placement device.

[0023] The second transfer device includes a second robotic arm, the moving end of which is connected to the third clamping assembly via the rotating device. The second robotic arm is used to drive the third clamping assembly to move between the container storage device and the stirring and heating device.

[0024] According to the intelligent experimental apparatus for organic chemistry provided by the present invention, the first clamping assembly, the second clamping assembly, and the third clamping assembly each include:

[0025] At least two grippers, and a plurality of said grippers are arranged about the same axis;

[0026] A driving device is connected to the gripper via a transmission, and the driving device is used to drive the gripper to move along a straight line perpendicular to and intersecting the axis.

[0027] According to the intelligent experimental apparatus for organic chemistry provided by the present invention, the gripper is provided with an anti-slip structure on the side near the axis.

[0028] The intelligent experimental apparatus for organic chemistry provided by the present invention further includes a weighing device, which is communicatively connected to the experimental information management module, and the second reaction vessel placement device is disposed on the weighing device.

[0029] According to the intelligent experimental apparatus for organic chemistry provided by the present invention, a buffer device is provided at the bottom inner side of the second reaction vessel placement device.

[0030] According to the intelligent experimental apparatus for organic chemistry provided by the present invention, the stirring and heating device includes a magnetic stirrer.

[0031] According to the intelligent experimental apparatus for organic chemistry provided by the present invention, the reaction dynamic monitoring device further includes a moving device, wherein the detection end of the in-situ infrared spectrometer and / or the gas chromatograph is disposed on the moving end of the moving device, and the moving device is used to drive the detection end of the in-situ infrared spectrometer and / or the gas chromatograph to enter and exit the reaction vessel located in the third reaction vessel placement device.

[0032] The present invention has the following advantages due to the adoption of the above technical solutions:

[0033] The intelligent experimental apparatus for organic chemistry provided by this invention includes an intelligent experimental platform and an intelligent control system. The intelligent control system comprises an instruction receiving module, a database module, an experimental information management module, a scheduling module, an automatic spectrum analysis module, and an evaluation module. During the experiment, the instruction receiving module first receives experimental task information. The database module stores historical experimental data and establishes an interpretability model based on the experimental task information and historical data. Based on this model, the database module automatically recommends experimental information, which includes at least material type, ratio, dosage, reaction temperature, stirring speed, and intermediate reaction sampling interval. The experimental information management module receives the experimental information from the database module and identifies it as the target experimental information. The scheduling module controls the intelligent experimental platform to perform material preparation and reaction based on the target experimental information and outputs reaction spectra. The automatic spectrum analysis module analyzes the reaction spectra and outputs processed analytical data. The evaluation module, based on the target experimental information and the processed analytical data from the automatic spectrum analysis module, uses a black-box optimization algorithm to automatically evaluate and recommend the next batch of experimental information. During the experiment, the experimental information management module continuously collects the analysis and processing data output by the automatic spectrum analysis software, and judges the experimental progress in real time based on the analysis and processing data to stop the reaction process in a timely manner, and terminates the experiment when the experimental parameters reach the optimization target. After the first experiment is completed, the experimental information management module receives the experimental information recommended by the evaluation module, and determines the latest experimental information as the target experimental information based on the time of receiving the experimental information, and conducts the experiment again. The experimental information management module continuously compares the analysis and processing data of the automatic spectrum analysis module, and terminates the experiment when the analysis and processing data reaches the preset requirements. The intelligent experimental device for organic chemistry provided by this invention integrates artificial intelligence technology with the existing intelligent experimental platform, and can predict, plan, guide, perceive and optimize the experimental situation in real time. Attached Figure Description

[0034] To more clearly illustrate the technical solutions in this invention or the prior art, the drawings used in the description of the embodiments or the prior art will be briefly introduced below. Obviously, the drawings described below are some embodiments of this invention. For those skilled in the art, other drawings can be obtained from these drawings without creative effort.

[0035] Figure 1 This is a schematic diagram of the structure of an intelligent experimental device for organic chemistry provided in an embodiment of the present invention;

[0036] Figure 2 This is a three-dimensional reaction spectrum provided in an embodiment of the present invention.

[0037] Figure label:

[0038] 100. Sample stage; 110. First reaction vessel placement device; 120. First reagent container placement device; 130. Pipe tip storage device; 200. Container temporary storage device; 300. Weighing device; 310. Second reaction vessel placement device; 400. Stirring and heating device; 410. Third reaction vessel placement device; 500. Pipette; 610. First robotic arm; 620. Second robotic arm; 630. Rotating device; 640. Third clamping assembly; 711. X-axis moving mechanism; 712. Y-axis moving mechanism; 713. Z-axis moving mechanism; 720. Mounting frame. Detailed Implementation

[0039] To make the objectives, technical solutions, and advantages of this invention clearer, the technical solutions of this invention will be clearly and completely described below with reference to the accompanying drawings. Obviously, the described embodiments are only some, not all, of the embodiments of this invention. All other embodiments obtained by those skilled in the art based on the embodiments of this invention without creative effort are within the scope of protection of this invention.

[0040] In the description of this invention, it should be understood that the terms "center," "longitudinal," "lateral," "length," "width," "thickness," "upper," "lower," "front," "rear," "left," "right," "vertical," "horizontal," "top," "bottom," "inner," "outer," "clockwise," "counterclockwise," "axial," "radial," and "circumferential" indicate the orientation or positional relationship based on the orientation or positional relationship shown in the accompanying drawings. They are used only for the convenience of describing this invention and simplifying the description, and are not intended to indicate or imply that the device or element referred to must have a specific orientation, or be constructed and operated in a specific orientation. Therefore, they should not be construed as limitations on this invention.

[0041] Furthermore, the terms "first" and "second" are used for descriptive purposes only and should not be construed as indicating or implying relative importance or implicitly specifying the number of technical features indicated. Thus, a feature defined as "first" or "second" may explicitly or implicitly include one or more of that feature. In the description of this invention, "a plurality of" means two or more, unless otherwise explicitly specified.

[0042] In this invention, unless otherwise explicitly specified and limited, the terms "installation," "connection," "linking," and "fixing," etc., should be interpreted broadly. For example, they can refer to a fixed connection, a detachable connection, or an integral part; they can refer to a mechanical connection or an electrical connection; they can refer to a direct connection or an indirect connection through an intermediate medium; they can refer to the internal communication of two components or the interaction between two components. Those skilled in the art can understand the specific meaning of the above terms in this invention according to the specific circumstances.

[0043] In this invention, unless otherwise explicitly specified and limited, "above" or "below" the second feature can mean that the first feature is in direct contact with the second feature, or that the first feature is in indirect contact with the second feature through an intermediate medium. Furthermore, "above," "over," and "on top" of the second feature can mean that the first feature is directly above or diagonally above the second feature, or simply that the first feature is at a higher horizontal level than the second feature. "Below," "below," and "beneath" of the second feature can mean that the first feature is directly below or diagonally below the second feature, or simply that the first feature is at a lower horizontal level than the second feature.

[0044] In the description of this specification, the references to terms such as "one embodiment," "some embodiments," "example," "specific example," or "some examples," etc., indicate that a specific feature, structure, material, or characteristic described in connection with that embodiment or example is included in at least one embodiment or example of the present invention. In this specification, the illustrative expressions of the above terms do not necessarily refer to the same embodiment or example. Furthermore, the specific features, structures, materials, or characteristics described may be combined in any suitable manner in one or more embodiments or examples. Moreover, without contradiction, those skilled in the art can combine and integrate the different embodiments or examples described in this specification, as well as the features of different embodiments or examples.

[0045] The intelligent experimental apparatus for organic chemistry provided by this invention includes an intelligent experimental platform and an intelligent control system. The intelligent control system comprises an instruction receiving module, a database module, an experimental information management module, a scheduling module, an automatic spectrum analysis module, and an evaluation module. During the experiment, the instruction receiving module first receives experimental task information. The database module stores historical experimental data and establishes an interpretability model based on the experimental task information and historical data. Based on this model, the database module automatically recommends experimental information, which includes at least material type, ratio, dosage, reaction temperature, stirring speed, and intermediate reaction sampling interval. The experimental information management module receives the experimental information from the database module and identifies it as the target experimental information. The scheduling module controls the intelligent experimental platform to perform material preparation and reaction based on the target experimental information and outputs reaction spectra. The automatic spectrum analysis module analyzes the reaction spectra and outputs processed analytical data. The evaluation module, based on the target experimental information and the processed analytical data from the automatic spectrum analysis module, uses a black-box optimization algorithm to automatically evaluate and recommend the next batch of experimental information. During the experiment, the experimental information management module continuously collects the analysis and processing data output by the automatic spectrum analysis software, and judges the experimental progress in real time based on the analysis and processing data to stop the reaction process in a timely manner, and terminates the experiment when the experimental parameters reach the optimization target. After the first experiment is completed, the experimental information management module receives the experimental information recommended by the evaluation module, and determines the latest experimental information as the target experimental information based on the time of receiving the experimental information, and conducts the experiment again. The experimental information management module continuously compares the analysis and processing data of the automatic spectrum analysis module, and terminates the experiment when the analysis and processing data reaches the preset requirements. The intelligent experimental device for organic chemistry provided by this invention integrates artificial intelligence technology with the existing intelligent experimental platform, and can predict, plan, guide, perceive and optimize the experimental situation in real time.

[0046] The following is combined with Figure 1 and Figure 2 This invention describes an intelligent experimental apparatus for organic chemistry.

[0047] The intelligent experimental apparatus for organic chemistry provided in the embodiments of the present invention includes an intelligent experimental platform and an intelligent control system. The intelligent control system includes an instruction receiving module, a database module, an experimental information management module, a scheduling module, an automatic spectrum analysis module, and an evaluation module.

[0048] The instruction receiving module is used to receive experimental task information.

[0049] The database module stores historical experimental data. It is used to build an interpretability model based on experimental task information and historical experimental data, and to automatically recommend experimental information based on the interpretability model. The experimental information includes at least the material type, ratio, dosage, reaction temperature, stirring speed, and intermediate reaction sampling interval.

[0050] The experimental information management module is used to receive experimental information recommended by the database module and the evaluation module, and to determine the latest experimental information as the target experimental information based on the time of receiving the experimental information. The experimental information management module is used to collect the reaction spectrum output by the intelligent experimental platform and the analysis and processing data of the spectrum by the automatic spectrum analysis module. The experimental information management module judges the experimental progress based on the analysis and processing data and stops the reaction process in a timely manner, or terminates the experiment when the preset optimization target is reached.

[0051] The scheduling module controls the intelligent experimental platform based on the target experimental information to perform ingredient preparation, reaction, and reaction spectrum plotting.

[0052] The automatic spectrum analysis module is used to analyze reaction spectra and output the analysis data.

[0053] The evaluation module is used to automatically evaluate and recommend the next batch of experimental information based on the target experimental information and the data analyzed by the automatic graph analysis module, using a black-box optimization algorithm.

[0054] Before the experiment begins, the experimental task information is first input through the instruction receiving module, such as the maximum yield of a certain product under a certain reaction. After receiving the experimental task information, the instruction receiving module sends it to the database module. The database module stores historical experimental data, including data generated from literature, patents, and platform experiments. Based on the received experimental task information and historical experimental data, the database builds an interpretability model. This interpretability model is generated through data training and testing, enabling rational design for specific chemical problems. The database model automatically recommends experimental information based on the interpretability model. This experimental information includes at least the material type, ratio, dosage, reaction temperature, stirring speed, and intermediate reaction sampling interval for the corresponding experimental item.

[0055] The experimental information management module receives experimental information recommended by the database module and identifies this information as the target experimental information. The scheduling module, based on the target experimental information from the experimental information management module, controls the intelligent experimental platform to perform ingredient preparation, reaction, and reaction mapping.

[0056] The automatic spectrum analysis module is used to analyze the reaction spectra generated by the intelligent experimental platform and output the analysis and processing data.

[0057] The experimental information management module collects, analyzes, and processes data in real time, judges the progress of the experiment based on the analyzed data, and stops the reaction process at an appropriate time.

[0058] The evaluation module uses black-box optimization algorithms to automatically evaluate and recommend experimental information for the next batch, based on the target experimental information and the data processed by the automatic graph analysis module.

[0059] The experimental information management module is also used to receive experimental information recommended by the evaluation module, and to determine the latest experimental information as the target experimental information based on the time of receipt of the experimental information.

[0060] Once the experimental information management module receives and confirms the new target experimental information, the above experiment will be executed again.

[0061] After each experiment, the experiment information management module records the analysis and processing data of the experiment and compares the analysis and processing data with the preset values. When the error between the target value and the preset value in the analysis and processing data is within an acceptable range, the experiment information management module terminates the loop experiment.

[0062] The intelligent experimental device for organic chemistry provided by this invention integrates artificial intelligence technology with the existing intelligent experimental platform, enabling real-time prediction, planning, guidance, perception, and optimization of the experimental situation.

[0063] In some embodiments, the intelligent experimental platform includes a sample stage 100, a container storage device 200, a second reaction container placement device 310, at least one stirring and heating device 400, a container transfer device, a pipetting device 500, and a reaction dynamic monitoring device. The reaction dynamic monitoring device includes an in-situ infrared spectrometer and / or a gas chromatograph-coupled instrument for detecting and plotting reaction spectra. The container storage device 200, stirring and heating device 400, container transfer device, and pipetting device 500 are all electrically connected to the scheduling module, and the reaction dynamic monitoring device is communicatively connected to the automatic spectrum analysis module.

[0064] During operation, the scheduling module, based on the type and amount of reagents required in the target experimental information from the experimental information management module, controls the intelligent experimental platform to add the corresponding reagents to the reaction vessel and adjusts the reaction parameters according to the reaction conditions.

[0065] Specifically, the container transfer device first transfers the reaction vessel on the sample stage 100 to the container storage device 200. The container transfer device and the container storage device 200 work together to remove the lid of the reaction vessel. Then, the reaction vessel with the lid removed is transferred to the second reaction vessel placement device 310. Next, the container transfer device transfers the reagent container containing the required reagent from the sample stage 100 to the container storage device 200. With the cooperation of the container transfer device and the container storage device 200, the lid of the reagent container is removed. The pipetting device 500 transfers the reagent from the opened reagent container to the reaction vessel located on the second reaction vessel placement device 310. After all the required reagents have been added to the reaction vessel, the container transfer device transfers the reaction vessel to the container storage device 200, and with the cooperation of the container transfer device and the container storage device 200, the lid of the reaction vessel is screwed back on. Finally, the container transfer device transfers the reaction vessel to the stirring and heating device 400 for reaction.

[0066] The scheduling module adjusts the heating temperature of the stirring and heating device according to the corresponding reaction conditions in the target experimental information, or manually controls the heating temperature of the stirring and heating device.

[0067] During the reaction, the container transfer device works in conjunction with the stirring and heating device to continuously open and close the reaction container lid. After the reaction container lid is opened, the reaction container monitoring device detects the substances inside the reaction container and outputs a reaction spectrum.

[0068] Furthermore, the sample stage 100 is provided with a first reaction container placement device 110 and a first reagent container placement device 120. Both the first reaction container placement device 110 and the first reagent container placement device 120 are provided with multiple first container placement slots, and the reaction container and the reagent container are placed in the corresponding first container placement slots.

[0069] The container storage device 200 is provided with a second container placement slot, and a first clamping component is provided in the second container placement slot. When the reaction container or reagent container is placed in the second container placement slot, the first clamping component can clamp or release the reaction container or reagent container.

[0070] The second reaction vessel placement device 310 is used to temporarily place the reaction vessel, at which the operation of adding reagents into the reaction vessel is completed.

[0071] The stirring and heating device 400 is used to control the temperature of the solution in the reaction vessel. Multiple stirring and heating devices 400 are provided, each equipped with multiple third reaction vessel placement devices 410, allowing simultaneous heating of multiple reaction vessels to improve efficiency. The multiple stirring and heating devices 400 can be individually temperature-controlled, enabling the acquisition of data on the same experiment at different temperatures, and facilitating various types of experiments with different heating temperatures. Because continuous monitoring of the reaction process is required, necessitating frequent opening and closing of the reaction vessel lids, each third reaction vessel placement device 410 is also equipped with a second clamping assembly. When opening or closing the lid is required, the second clamping assembly clamps the reaction vessel to prevent rotation; when transferring the reaction vessel, the second clamping assembly releases the reaction vessel.

[0072] The container transfer device is used to transfer reaction containers and reagent containers, and to perform the opening and closing actions of the reaction containers and reagent containers. The movable end of the container transfer device is used to move between the sample stage 100, the container storage device 200, the second reaction container placement device 310, and the stirring and heating device 400 to complete the transfer of reaction containers or reagent containers.

[0073] The moving end of the container transfer device is equipped with a rotating device 630 and a third clamping assembly 640, with the rotating device 630 located between the moving end and the third clamping assembly 640. When the container transfer device transfers a container, the third clamping assembly 640 grips the container. After the container is transferred to the correct position, the third clamping assembly 640 releases the container, placing it down. When the container transfer device performs an opening or closing action, the third clamping assembly 640 clamps the lid of the corresponding container. At this time, the rotating device 630 drives the third clamping assembly 640 to rotate, thereby causing the lid to rotate and open or close.

[0074] The pipette 500 is primarily used to transfer reagents from a reagent container located on the container storage device 200 to a reaction vessel located on the second reaction vessel placement device 310. Therefore, the moving end of the pipette 500 is used to move between the container storage device 200 and the second reaction vessel placement device 310. The pipette 500 can be a suction device, capable of drawing reagents from the reagent container and spraying them into the reaction vessel.

[0075] A pipette tip storage device 130 is also provided on the sample stage 100. The pipette tip storage device 130 is provided with multiple pipette tip storage slots. Before transferring reagents, the moving end of the pipette device 500 needs to move to the top of the pipette tip to be used and engage with the pipette tip.

[0076] See Figure 2In some embodiments of the present invention, the reaction dynamic monitoring device can output a three-dimensional reaction spectrum, and the automatic spectrum analysis module can further analyze the three-dimensional reaction spectrum and automatically extract data from the spectrum to calculate the data required for the experiment, such as the yield of the target product. The analyzed data is automatically associated with the experimental information module.

[0077] In some embodiments of the present invention, in order to improve work efficiency, two container transfer devices may be provided, namely a first transfer device and a second transfer device.

[0078] Specifically, the first transfer device may include a first robotic arm 610. The moving end of the first robotic arm 610 is provided with a first connecting end and a second connecting end. The first connecting end is connected to the third clamping assembly 640 through a rotating device 630, and the pipetting device 500 is disposed at the second connecting end. The first robotic arm 610 has multiple motion joints, which can drive the first connecting end and the second connecting end of the first robotic arm 610 to achieve multi-degree-of-freedom movement. In this way, the first robotic arm 610 can drive the third clamping assembly 640 to move between the sample stage 100, the container storage device 200, and the second reaction vessel placement device 310, and the first robotic arm 610 can drive the pipetting device 500 to move between the container storage device 200 and the second reaction vessel placement device 310.

[0079] The first robotic arm 610 can drive the rotating device 630 and the third clamping assembly 640 to transfer the reaction container from the sample stage 100 to the container storage device 200. At this time, the rotating device 630, the third clamping assembly 640 and the container storage device 200 cooperate to perform the action of opening the reaction container. Then the first robotic arm 610 transfers the reaction container to the second reaction container placement device 310. After all the reagents are added to the reaction container, the reaction container is transferred back to the container storage device 200 and the action of closing the reaction container is performed.

[0080] The first robotic arm 610 can drive the rotating device 630 and the third clamping assembly 640 to transfer the reagent container from the sample stage 100 to the container storage device 200, and cooperate with the container storage device 200 to perform the action of opening the reagent container. After the reagent in the reagent container is transferred, the action of closing the reagent container is performed. Finally, the first robotic arm 610 transfers the reagent container back to the sample stage 100.

[0081] The first robotic arm 610 can drive the pipetting device 500 to draw reagents from the opened reagent container located on the container storage device 200. Then, the first robotic arm 610 drives the pipetting device 500 to move to the opened reaction container on the second reaction container placement device 310 and sprays the drawn reagents into the reaction container.

[0082] The second transfer device may include a second robotic arm 620. The moving end of the second robotic arm 620 is connected to the third clamping assembly 640 via a rotating device 630. The second robotic arm 620 has multiple motion joints, which can drive the moving end of the second robotic arm 620 to achieve multi-degree-of-freedom movement. In this way, the second robotic arm 620 can drive the third clamping assembly 640 to move between the second reaction vessel placement device 310 and the stirring and heating device 400.

[0083] The second robotic arm 620 can drive the rotating device 630 and the third clamping assembly 640 to move between the container storage device 200 and the stirring and heating device 400. Above the container storage device 200, the third clamping assembly 640 clamps the reaction container. The second robotic arm 620 drives the third clamping assembly 640 to move the reaction container into the third reaction container placement device 410 of the stirring and heating device 400, and then the third clamping assembly 640 releases the reaction container. When the third clamping assembly 640 on the second robotic arm 620 clamps the lid of the reaction container, and the third clamping assembly on the stirring and heating device 400 clamps the reaction container, the rotating device 630 rotates to realize the opening and closing of the lid.

[0084] In some embodiments of the present invention, the first clamping assembly, the second clamping assembly, the third clamping assembly, and the third clamping assembly 640 all include grippers and a driving device.

[0085] The gripper includes at least two grippers, and the multiple grippers are arranged around the same axis. Each gripper is connected to a drive device, which drives the gripper to move along a direction perpendicular to and through the distribution axis of the gripper, so as to realize the action of multiple grippers approaching each other to clamp the container and moving away from each other to release the container.

[0086] To enhance the friction between the grippers and the lid and container, an anti-slip structure, such as a rubber pad, is provided on the side of the grippers closest to the container or lid.

[0087] In addition, different containers have different outer diameters of lids or bodies. In order for the grippers to be able to grip containers of different sizes, the gripping surface on the inside of the grippers can be stepped to accommodate containers with different outer diameters.

[0088] In some embodiments of the present invention, a weighing device 300 is further included, and a second reaction vessel placement device 310 is disposed on the weighing device 300. The weighing device 300 is communicatively connected to the experimental information management module and is used to transmit weighing information to the experimental information management module. A buffer device is provided at the bottom inner side of the second reaction vessel placement device 310.

[0089] When the first transfer device moves the reaction container above the second reaction container placement device 310 and the bottom of the reaction container enters the second reaction container placement device 310, the third clamping component 640 on the first transfer device releases the reaction container. The buffer device located at the bottom of the second reaction container placement device 310 can provide a buffering effect for the reaction container to prevent the reaction container from making hard contact with the bottom of the second reaction container placement device 310, which would cause the reaction container to break.

[0090] For example, the cushioning device can be a spring or other elastic material.

[0091] In some embodiments of the present invention, the stirring and heating device 400 can be an electromagnetic stirrer. During the reaction process, the electromagnetic stirrer mixes the solution in the reaction vessel and heats the solution in the reaction vessel.

[0092] In some embodiments of the present invention, the reaction dynamic monitoring device further includes a mobile device with the detection end of an in-situ infrared spectrometer and / or a gas chromatograph mounted on the mobile end of the mobile device. The mobile device is used to drive the detection end of the in-situ infrared spectrometer and / or the gas chromatograph to extend into the reaction vessel on the third reactor storage device, for detecting the substances in the reaction vessel to generate a three-dimensional reaction spectrum.

[0093] The mobile device can be a third robotic arm or a gantry-type three-way moving mechanism. This embodiment will be described using a gantry-type three-way moving mechanism as an example.

[0094] The moving device includes an X-axis moving mechanism 711, a Y-axis moving mechanism 712, a Z-axis moving mechanism 713, and a mounting frame 720. Two X-axis moving mechanisms 711 are provided, respectively positioned on opposite sides of the stirring and heating device 400. Two Z-axis moving mechanisms 713 are also provided; the fixed portions of the two Z-axis moving mechanisms 713 are connected to the moving portions of the two X-axis moving mechanisms 711. The two ends of the fixed portions of the Y-axis moving mechanisms 712 are connected to the moving portions of the two Z-axis moving mechanisms 713. The mounting frame 720 is connected to the moving portion of the Y-axis moving mechanism 712. An in-situ infrared spectrometer and / or a gas chromatograph-coupled device are both mounted on the mounting frame 720.

[0095] The X-axis moving mechanism 711, Y-axis moving mechanism 712 and Z-axis moving mechanism 713 mentioned above are all lead screw and nut mechanisms driven by motors.

[0096] Finally, it should be noted that the above embodiments are only used to illustrate the technical solutions of this application, and not to limit them. Although this application has been described in detail with reference to the foregoing embodiments, those skilled in the art should understand that modifications can still be made to the technical solutions described in the foregoing embodiments, or equivalent substitutions can be made to some or all of the technical features therein. These modifications or substitutions do not cause the essence of the corresponding technical solutions to deviate from the scope of the technical solutions of the embodiments of this application, and they should all be covered within the scope of the claims and specification of this application. In particular, as long as there is no structural conflict, the various technical features mentioned in the embodiments can be combined in any way. This application is not limited to the specific embodiments disclosed herein, but includes all technical solutions falling within the scope of the claims.

Claims

1. An intelligent experimental apparatus for organic chemistry, characterized in that, It includes an intelligent experimental platform and an intelligent control system, wherein the intelligent control system includes an instruction receiving module, a database module, an experimental information management module, a scheduling module, an automatic graph analysis module, and an evaluation module, wherein: The instruction receiving module is used to receive experimental task information; The database module stores historical experimental data. The database module is used to build an interpretability model based on the experimental task information and the historical experimental data, and to automatically recommend experimental information based on the interpretability model. The experimental information includes at least the material type, ratio, dosage, reaction temperature, stirring speed, and intermediate reaction sampling interval. The experimental information management module is used to receive the experimental information recommended by the database module and the evaluation module, and determine the latest experimental information as the target experimental information based on the time of receiving the experimental information. The experimental information management module is used to collect the reaction spectrum output by the intelligent experimental platform and the analysis and processing data of the spectrum by the automatic spectrum analysis module. The experimental information management module judges the experimental progress based on the analysis and processing data to stop the reaction process in a timely manner, or terminate the experiment when the preset optimization target is reached. The scheduling module controls the intelligent experimental platform to perform ingredient preparation, reaction, and reaction spectrum plotting based on the target experimental information; The automatic spectrum analysis module is used to analyze the reaction spectrum and output the analysis data. The evaluation module is used to automatically evaluate and recommend the next batch of experimental information based on the target experimental information and the analysis and processing data of the automatic spectrum analysis module, using a black-box optimization algorithm.

2. The intelligent experimental apparatus for organic chemistry according to claim 1, characterized in that, The intelligent experimental platform includes: A sample stage (100) is provided for placing reaction vessels and reagent containers; A container storage device (200) is provided with a first clamping assembly, which is used to clamp or release the reaction container or the reagent container. The second reaction vessel placement device (310) is used to place the reaction vessel after it has been opened; At least one stirring and heating device (400), each of the stirring and heating devices (400) is provided with a plurality of third reaction vessel placement devices (410), and the third reaction vessel placement device (410) is provided with a second clamping assembly; A container transfer device, wherein the movable end of the container transfer device is used to move between the sample stage (100), the container storage device (200), the second reaction container placement device (310), and the third reaction container placement device (410), and the movable end of the container transfer device is provided with a rotating device (630) and a third clamping assembly (640), the third clamping assembly (640) being used to clamp or release the reaction container or the reagent container, and the rotating device (630) being used to drive the third clamping assembly (640) to rotate; A pipetting device (500) is used to move between the container storage device (200) and the second reaction vessel placement device (310) and to transfer reagents in the reagent container into the reaction vessel; A reaction dynamic monitoring device, comprising an in-situ infrared spectrometer and / or a gas chromatograph-coupled instrument, wherein the reaction dynamic monitoring device plots reaction chromatograms based on the detected experimental parameters; The container transfer device, the stirring and heating device, the container temporary storage device, and the pipetting device are all electrically connected to the scheduling module, and the reaction dynamic monitoring device is communicatively connected to the automatic spectrum analysis module.

3. The intelligent experimental apparatus for organic chemistry according to claim 2, characterized in that, The container transfer device includes: A first transfer device, comprising a first robotic arm (610), wherein the moving end of the first robotic arm (610) is provided with a first connecting end and a second connecting end, the first connecting end being connected to the third clamping assembly (640) via the rotating device (630), and the pipetting device (500) being disposed at the second connecting end; the first robotic arm (610) is used to drive the third clamping assembly (640) to move between the sample stage (100), the container storage device (200), and the second reaction container placement device (310), and the first robotic arm (610) is used to drive the pipetting device (500) to move between the container storage device (200) and the second reaction container placement device (310); The second transfer device includes a second robotic arm (620), the moving end of which is connected to the third clamping assembly (640) via the rotating device (630). The second robotic arm (620) is used to drive the third clamping assembly (640) to move between the container storage device (200) and the stirring and heating device (400).

4. The intelligent experimental apparatus for organic chemistry according to claim 3, characterized in that, The first clamping assembly, the second clamping assembly, and the third clamping assembly each include: At least two grippers, and a plurality of said grippers are arranged about the same axis; A driving device is connected to the gripper via a transmission, and the driving device is used to drive the gripper to move along a straight line perpendicular to and intersecting the axis.

5. The intelligent experimental apparatus for organic chemistry according to claim 4, characterized in that, The gripper is provided with an anti-slip structure on the side closest to the axis.

6. The intelligent experimental apparatus for organic chemistry according to claim 2, characterized in that, It also includes a weighing device (300), which is communicatively connected to the experimental information management module, and the second reaction vessel placement device (310) is disposed on the weighing device (300).

7. The intelligent experimental apparatus for organic chemistry according to claim 6, characterized in that, A buffer device is provided on the bottom inner side of the second reaction vessel placement device (310).

8. The intelligent experimental apparatus for organic chemistry according to claim 2, characterized in that, The stirring and heating device (400) includes a magnetic stirrer.

9. The intelligent experimental apparatus for organic chemistry according to claim 2, characterized in that, The reaction dynamic monitoring device also includes a moving device, and the detection end of the in-situ infrared spectrometer and / or the gas chromatograph is set on the moving end of the moving device. The moving device is used to drive the detection end of the in-situ infrared spectrometer and / or the gas chromatograph to enter and exit the reaction container located in the third reaction container placement device (410).

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