阅读说明：本技术 一种化合物分子3d打印系统及方法 (Compound molecule 3D printing system and method ) 是由 陈语谦 于 2020-07-17 设计创作，主要内容包括：本发明提供了一种化合物分子3D打印系统及方法,包括化合物分子分析装置、三维光阱生成装置、粒子生成与激发装置、粒子捕获装置、粒子传送装置,化合物分子分析装置、三维光阱生成装置、粒子传送装置、粒子捕获装置、粒子生成与激发装置依次相连。本发明的有益效果是:本发明的化合物分子3D打印系统可以应用于制作传统化学方法难以制作或分离的高纯度化合物分子,甚至可以制造出通过计算机仿真合成的更高效且无法通过常规化学方法生成的靶向药物分子；其次,本发明的化合物分子3D打印系统由于无需通过复杂的合成步骤,也无需考虑选择合成方式,更加不需要考虑合成后有效成分的分离,可以大大缩短药物开发的周期以及节约开发成本。(The invention provides a compound molecule 3D printing system and method, which comprises a compound molecule analysis device, a three-dimensional optical trap generation device, a particle generation and excitation device, a particle capture device and a particle transmission device, wherein the compound molecule analysis device, the three-dimensional optical trap generation device, the particle transmission device, the particle capture device and the particle generation and excitation device are sequentially connected. The compound molecule 3D printing system has the beneficial effects that the compound molecule 3D printing system can be applied to manufacturing high-purity compound molecules which are difficult to manufacture or separate by the traditional chemical method, and even can manufacture target drug molecules which are synthesized by computer simulation and have higher efficiency and can not be generated by the conventional chemical method; in addition, the compound molecule 3D printing system does not need to adopt complex synthesis steps, does not need to consider the selection of a synthesis mode, and does not need to consider the separation of the active ingredients after synthesis, so that the period of drug development can be greatly shortened, and the development cost can be saved.)

1. A compound molecule 3D printing system, characterized by: the particle trap comprises a compound molecule analysis device (10), a three-dimensional optical trap generation device (30), a particle generation and excitation device (40), a particle capture device (50) and a particle transmission device (60), wherein the compound molecule analysis device (10), the three-dimensional optical trap generation device (30), the particle transmission device (60), the particle capture device (50) and the particle generation and excitation device (40) are sequentially connected;

The compound molecule analysis device (10): for storing a compound molecular three-dimensional structure (11) and parameterizing the spatial structure of each atom (12) in the compound molecular three-dimensional structure (11) into three-dimensional spatial coordinate points;

the three-dimensional optical trap generation device (30): a three-dimensional array of optical traps (31) for forming coordinate points which completely encompass all atoms (12) in the three-dimensional structure (11) of the compound molecule at the same origin of coordinates;

the particle generation and excitation device (40): used for exciting and separating a plurality of high-energy state particles (13);

the particle catch arrangement (50): the particle transfer device is used for capturing the high-energy-state particles (13) into single particles (51) and transferring the single particles (51) to corresponding coordinate points in the three-dimensional optical trap array (31) through the particle transfer device (60) and trapping the single particles in the optical traps.

2. The compound molecule 3D printing system of claim 1, wherein: in the three-dimensional optical trap generation device (30), each lattice node of the three-dimensional optical trap array (31) can trap not less than one single particle (51).

3. The compound molecule 3D printing system of claim 1, wherein: the three-dimensional optical trap generation device (30) comprises a composite phase grating (32) and a lens (33); the input light (35) forms a spatial three-dimensional optical trap with certain array relation after passing through the composite phase grating (32) and the lens (33); the three-dimensional optical trap generation apparatus (30) further comprises a spatial light modulator for generating the input light (35).

4. The compound molecule 3D printing system of claim 1, wherein: the particle generation and excitation device (40) comprises a nozzle (41), and the high-energy-state particles (13) are ejected through the nozzle (41).

5. The compound molecule 3D printing system of claim 1, wherein: the particle generating and exciting device (40) can excite the high-energy particles (13) by vapor deposition, plasma or laser.

6. The compound molecule 3D printing system of claim 1, wherein: in the particle catch arrangement (50), the high energy state particles (13) comprise atoms, ions or corresponding excited state particles.

7. The compound molecule 3D printing system of claim 1, wherein: the particle trapping device (50) comprises an ion trap particle trapping device, a four-dipole electric field particle trapping device and a magneto-optical trap particle trapping device.

8. The compound molecule 3D printing system of claim 1, wherein: the particle conveying device (60) comprises an optical tweezers particle moving cold particle device, a relativistic electron beam particle moving cold particle device and an electromagnetic field particle moving cold particle device.

9. The compound molecule 3D printing system of claim 1, wherein: the particle transport device (60) comprises an imaging device (61), the imaging device (61) being adapted to identify and control the single particle (51); the particle catch arrangement (50) is a single particle catch arrangement; the compound molecule 3D printing system comprises a cloud server (20), wherein the compound molecule analysis device (10) is connected with the cloud server (20).

10. A compound molecule 3D printing method, characterized in that:

step 1: providing a compound molecular three-dimensional structure (11);

step 2: parameterizing the spatial positions of all atoms (12) in a three-dimensional structure (11) of a compound molecule into spatial coordinate points by using a compound molecule analysis device (10);

and step 3: forming a three-dimensional optical trap array (31) which can completely contain coordinate points of all atoms (12) in the compound molecule three-dimensional structure (11) under the same coordinate origin by using a three-dimensional optical trap generating device (30), and ensuring that each lattice node of an optical trap can trap not less than one single particle (51);

and 4, step 4: generating a plurality of high-energy-state particles (13) by using a particle generating and exciting device (40), and spraying the high-energy-state particles into a particle capturing device (50) through a nozzle (41); the particle capture device (50) captures the high-energy-state particles into single particles (51) and sends the single particles to the particle conveying device (60);

And 5: the particle transfer device (60) transfers a plurality of single particles (51) to corresponding positions in the three-dimensional optical trap array (31) and traps the single particles in the optical traps;

step 6: when the trapping of all the single particles (51) is completed, the corresponding chemical bond generation environment is applied externally, so that all the single particles (51) in the optical trap are promoted to form chemical bonds, and finally, the compound molecule three-dimensional structure (11) is formed.

Background

Conventionally, the development of new drugs is a very complicated process, requiring a large amount of resources to be invested and a long development period. Each synthesis of a different drug molecule means that several similar or different chemical synthesis steps are performed, usually at least 5 more synthesis steps are required. Generally, if more than eight synthetic steps are required for a drug, the cost of the drug is significantly increased. Therefore, how to reduce the synthesis or simplify the synthesis steps becomes a key factor for reducing the cost of drug development.

In order to reduce the difficulty of drug development and synthesis, researchers select pre-designed drugs, screen out effective molecular structures by computers, consider synthetic steps by chemical methods, and even screen out compounds containing the same structures by computers through functional group structures and connection structures of binding sites of key target proteins of diseases. The computer aided drug design has the advantages that the molecular structure of the drug can be rapidly screened from a compound database in a large quantity, and the functional group modification is carried out on the compound with high binding force, so that a new compound is generated, and the drug molecule more suitable for treating certain diseases is obtained through software simulation test. However, in practice, although the computer simulation method can obtain the optimal solution of the molecular structure of the drug for treating the target disease, the obtained drug is not necessarily obtained by chemical synthesis.

In addition, due to the increasing development of Chinese herbs, many effective components of Chinese herbs have been identified, but most of the effective structures of Chinese herbs have not been obtained by chemical synthesis. If only the effective components are extracted from the traditional Chinese medicine, a single compound is difficult to separate from all the compositions.

The various technical problems mentioned above have become key factors limiting the progress of drug development.

Disclosure of Invention

The invention provides a compound molecule 3D printing system which comprises a compound molecule analysis device, a three-dimensional optical trap generation device, a particle generation and excitation device, a particle capture device and a particle transmission device, wherein the compound molecule analysis device, the three-dimensional optical trap generation device, the particle transmission device, the particle capture device and the particle generation and excitation device are sequentially connected;

the compound molecule analysis device: the three-dimensional structure storage device is used for storing a compound molecule three-dimensional structure and parameterizing the spatial structure of each atom in the compound molecule three-dimensional structure into a three-dimensional space coordinate point;

the three-dimensional optical trap generation device: forming a three-dimensional array of optical traps having coordinate points that completely encompass all atoms in the three-dimensional structure of said compound molecule at the same origin of coordinates;

The particle generation and excitation device: used for exciting and separating a plurality of high energy state particles;

the particle capture device: the particle transfer device is used for capturing the high-energy-state particles into single particles, transferring the single particles to corresponding coordinate points in the three-dimensional optical trap array through the particle transfer device and trapping the single particles in optical traps.

As a further improvement of the present invention, in the three-dimensional optical trap generation apparatus, each lattice node of the three-dimensional optical trap array can trap not less than a single particle.

As a further improvement of the invention, the three-dimensional optical trap generation device comprises a composite phase grating and a lens; the input light forms a spatial three-dimensional optical trap with certain array relation after passing through the composite phase grating and the lens; the three-dimensional optical trap generation apparatus further comprises a spatial light modulator for generating the input light.

As a further improvement of the present invention, the particle generation and excitation device includes a nozzle through which the high-energy-state particles are ejected.

As a further improvement of the present invention, the particle generating and exciting device can excite high-energy particles by using vapor deposition, plasma or laser.

As a further improvement of the present invention, in the particle trap apparatus, the high-energy-state particles include atoms, ions or corresponding excited-state particles.

As a further improvement of the invention, the particle trapping device comprises an ion trap particle trapping device, a four dipole electric field particle trapping device and a magneto-optical trap particle trapping device.

As a further improvement of the invention, the particle conveying device comprises an optical tweezers particle moving cold particle device, a relativistic electron beam particle moving cold particle device and an electromagnetic field particle moving cold particle device.

As a further improvement of the present invention, the particle transport apparatus comprises an imaging device for identifying and controlling the single particle; the particle catch arrangement is a single particle catch arrangement.

As a further improvement of the present invention, the compound molecule 3D printing system includes a cloud server, and the compound molecule analysis device is connected to the cloud server.

The invention has the beneficial effects that: the compound molecule 3D printing system can be applied to manufacturing high-purity compound molecules which are difficult to manufacture or separate by the traditional chemical method, and even can manufacture target drug molecules which are synthesized by computer simulation and have higher efficiency and can not be generated by the conventional chemical method; in addition, the compound molecule 3D printing system does not need to adopt complex synthesis steps, does not need to consider the selection of a synthesis mode, and does not need to consider the separation of the active ingredients after synthesis, so that the period of drug development can be greatly shortened, and the development cost can be saved.

Drawings

FIG. 1 is a schematic block diagram of a compound molecule 3D printing system of the present invention;

FIG. 2 is a molecular structural diagram of a compound of the present invention;

FIG. 3 is a block diagram of a single particle trap apparatus according to the present invention;

FIG. 4 is a block diagram of a three-dimensional optical trap generation apparatus of the present invention;

FIG. 5 is a structural view of a particle transporting apparatus according to the present invention;

FIG. 6 is a flow chart of a method of molecular printing of compounds of the present invention;

reference numerals: 10-a compound molecular analysis device; 11-compound molecular three-dimensional structure; 12-atom; 13-high energy state particles; 20-a cloud server; 30-a three-dimensional optical trap generation device; 31-a three-dimensional array of optical traps; a 32-composite phase grating; 33-a lens; 40-particle generation and excitation means; 41-particle nozzle; 50-single particle capture device; 51-single particles; 60-a particle transport device; 61-image device.

Detailed Description

As shown in fig. 1 to 5, the present invention discloses a compound molecule 3D printing system, which includes a compound molecule analyzing apparatus 10, a three-dimensional optical trap generating apparatus 30, a particle generating and exciting apparatus 40, a particle capturing apparatus 50, and a particle transporting apparatus 60, wherein the compound molecule analyzing apparatus 10, the three-dimensional optical trap generating apparatus 30, the particle transporting apparatus 60, the particle capturing apparatus 50, and the particle generating and exciting apparatus 40 are sequentially connected;

The compound molecule analysis device 10: the three-dimensional structure storage device is used for storing a compound molecular three-dimensional structure 11 and parameterizing the spatial structure of each atom 12 in the compound molecular three-dimensional structure 11 into a three-dimensional coordinate point;

the three-dimensional optical trap generation apparatus 30: a three-dimensional optical trap array 31 for forming coordinate points that can completely contain all the atoms 12 in the three-dimensional structure 11 of the compound molecule at the same origin of coordinates;

the particle generation and excitation device 40: used for exciting and separating a plurality of high-energy state particles 13;

the particle catch arrangement 50: for capturing the high-energy-state particles 13 as single particles 51, and transporting the single particles 51 to corresponding coordinate points in the three-dimensional optical trap array 31 through the particle transporting device 60 and trapping the single particles in the optical traps, when trapping of all the single particles 51 is completed, the corresponding chemical bond generation environment is applied externally, so that all the single particles 51 in the optical traps are promoted to form chemical bonds, and finally the compound molecular three-dimensional structure 11 is formed. The three-dimensional optical trap array comprises a plurality of optical traps.

In the three-dimensional optical trap generation apparatus 30, each lattice node of the three-dimensional optical trap array 31 can trap not less than one single particle 51.

The three-dimensional optical trap generation device 30 comprises a composite phase grating 32 and a lens 33; the input light 35 forms a spatial three-dimensional light trap with certain array relation after passing through the composite phase grating 32 and the lens 33, namely a three-dimensional light trap array 31; the three-dimensional optical trap generating device 30 further comprises a spatial light modulator for generating the input light 35.

The particle generation and excitation device 40 includes a nozzle 41, and the high-energy-state particles 13 are ejected through the nozzle 41.

The particle generating and exciting device 40 can excite the high energy particles 13 by vapor deposition, plasma, or laser.

In the particle catch arrangement 50, the high energy state particles 13 comprise atoms, ions or corresponding excited state particles.

The particle trapping device 50 comprises an ion trap particle trapping device, a four dipole electric field particle trapping device and a magneto-optical trap particle trapping device.

The particle transfer device 60 comprises an optical tweezers particle moving cold particle device, a relativistic electron beam particle moving cold particle device and an electromagnetic field particle moving cold particle device.

Preferably, the particle transporting device 60 comprises an imaging device 61, wherein the imaging device 61 is used for conveniently identifying and controlling the single particles 51; the particle catch arrangement 50 is a single particle catch arrangement.

The compound molecule 3D printing system comprises a cloud server 20, wherein the compound molecule analysis device 10 is connected with the cloud server 20.

As shown in fig. 6, the invention discloses a 3D printing method for compound molecules, comprising the following steps:

step 1: providing a compound molecular three-dimensional structure 11;

step 2: parameterizing the spatial positions of all atoms 12 in a three-dimensional structure 11 of compound molecules into spatial coordinate points by using a compound molecule analysis device 10;

and step 3: forming a three-dimensional optical trap array 31 which can completely contain coordinate points of all atoms 12 in the compound molecule three-dimensional structure 11 under the same coordinate origin by using a three-dimensional optical trap generation device 30, and ensuring that each lattice node of an optical trap can trap not less than one single particle 51;

and 4, step 4: generating a plurality of high-energy state particles 13 by using a particle generating and exciting device 40, and spraying the high-energy state particles into a particle capture device 50 through a nozzle 41; the particle capture device 50 captures the high-energy state particles into single particles 51 and sends the single particles to the particle transmission device 60;

and 5: the particle transport device 60 transports a number of single particles 51 to corresponding locations in the three-dimensional array of optical traps 31 and traps in the optical traps;

step 6: when trapping of all the single particles 51 is completed, the corresponding chemical bond generation environment is applied externally, so that all the single particles 51 in the optical trap are promoted to form chemical bonds, and finally the compound molecule three-dimensional structure 11 is formed.

The invention has the beneficial effects that: the compound molecule 3D printing system can be applied to manufacturing high-purity compound molecules which are difficult to manufacture or separate by the traditional chemical method, and even can manufacture target drug molecules which are synthesized by computer simulation and have higher efficiency and can not be generated by the conventional chemical method; in addition, the compound molecule 3D printing system does not need to adopt complex synthesis steps, does not need to consider the selection of a synthesis mode, and does not need to consider the separation of the active ingredients after synthesis, so that the period of drug development can be greatly shortened, and the development cost can be saved.

The foregoing is a more detailed description of the invention in connection with specific preferred embodiments and it is not intended that the invention be limited to these specific details. For those skilled in the art to which the invention pertains, several simple deductions or substitutions can be made without departing from the spirit of the invention, and all shall be considered as belonging to the protection scope of the invention.