CN104897817B

CN104897817B - Chromatograph and the method reusing chromatographic column

Info

Publication number: CN104897817B
Application number: CN201510341030.3A
Authority: CN
Inventors: 王柯
Original assignee: CHANGZHOU SANTAI TECHNOLOGY CO LTD
Current assignee: CHANGZHOU SANTAI TECHNOLOGY CO LTD
Priority date: 2015-06-18
Filing date: 2015-06-18
Publication date: 2017-03-01
Anticipated expiration: 2035-06-18
Also published as: CN104897817A; WO2016202256A1

Abstract

The invention provides a kind of chromatograph, for isolating and purifying of performance objective chemical combination objects system, this chromatograph includes DBM, isolates and purifies module and chromatographic column management module, and this chromatographic column management module includes：Matching unit, the use information of the chromatographic column in other DBMs of this DBM of information retrieval for the target compound system based on user input and networking is to recommend reusable chromatographic column to user, and/or the information of the target compound system based on user input is to user's suitable New GC column of recommendation, and the chromatographic column selected based on user retrieves the application message of the chromatographic column of same model of coupling for user's selection from central database；And database manipulation unit, for each target compound system isolate and purify end after update in this DBM storage chromatographic column use information.

Description

Chromatograph and the method reusing chromatographic column

Technical field

The present invention relates to chromatographic technique, more particularly, to a kind of chromatograph and the method reusing chromatographic column.

Background technology

The mechanism that isolates and purifies of chromatography (Chromatography, also known as chromatography) is based on component pair each in mixture The difference of biphase affinity, is distributed in the selectivity of different phase using different material, right with mobile phase (Mobile Phase) Mixture in fixing phase (Stationary Phase) carries out eluting, and in mixture, different materials can edge at different rates Fixing phase moves, and is finally reached the effect isolating and purifying.Chromatographic process is that the molecule of each component in mixture in mobile phase and is consolidated The process of fixed alternate repeatedly " distribution ".For example, as mobile phase, liquid chromatography liquid is as stream for gas chromatography gas Dynamic phase.Russia chemist M.C. thatch in 1903 is tieed up the first chief executive of Special Administrative Region and first is used for separating chlorophyll by liquid chromatography.

Different according to purposes, chromatography is divided into analysis chromatograph and preparative hplc again.Analysis chromatograph purpose be analyze mixed A kind of content of (or several) pure material in compound, the purpose of preparative hplc is to obtain pure material from mixture.To analyze The sample size of chromatograph increases, and show that the process of substantial amounts of desired substance (fraction) is just properly termed as preparative hplc simultaneously.

As a specific example, at present in organic synthesis laboratory wide variety of fast liquid chromatography (Flash Chromatography) technology belongs to one kind of preparative hplc, and it was in the W.Clark by Columbia Univ USA in 1978 Still proposes and in addition perfect first.Compare traditional liquid chromatograph isolation technics, fast liquid chromatography is using compared with small particle Silica filler chromatographic column, carries out sharp separation and the purification of target compound under pressure, in hgher efficiency.Using chromatograph Technology target compound is carried out isolating and purifying be each organic synthesis personnel must grasp with basic fundamental used in everyday and Means.Typically chromatographic column can be loaded manually using the chromatographic column of unlike material to be isolated and purified, or can be using certainly The chromatography column of the preparing chromatography system of dynamicization and prepackage carries out isolating and purifying of compound.It is currently based on fast performance liquid color The product of spectral technology has been commercially available and has been widely applied.By the development of hardware and software technology, modern fast performance liquid The automaticity of chromatographic system is very high, and after purification condition determines, user only just need to carry out shirtsleeve operation Isolating and purifying of target compound can be completed.

However, although existing liquid chromatograph isolation technics and its instrument automaticity are very high, pre- packing also obtains It is widely applied, including preparative scale chromatography post and analytical type chromatographic column, prior art is also carried out to the use information of chromatographic column Corresponding collect and process, but prior art is unable to the use information of chromatographic column of effective process collection and instructs further User preferably reuses chromatographic column, and, prior art can not be analyzed to the use information of the chromatographic column of same model And classification, especially the use information of one or more target compound system of chromatograph column separating purification of same model is lacked and comment Estimate analysis, thus summary can not be refined and recommends a kind of model to isolate and purify one or more target compound system to user Optimal use method.

Further, when chromatographic column can not reuse and need to scrap disposal, prior art lacks according to chromatographic column Usage history targetedly carries out scrapping the method for disposal and the foundation of flow process and guidance.

Therefore, the efficiency of the use to chromatographic column for the prior art needs to be improved further.

Content of the invention

The brief overview of one or more aspect given below is to provide the basic comprehension to these aspects.This general introduction is not The extensive overview of all aspects contemplating, and it is also non-to be both not intended to identify the key or decisive key element of all aspects Attempt to define the scope of any or all aspect.Its unique purpose is intended to provide the one of one or more aspects in simplified form A little concepts think the sequence of more detailed description given later.

According to an aspect of the present invention, there is provided a kind of chromatograph, for isolating and purifying of performance objective chemical combination objects system, This chromatograph includes DBM, isolates and purifies module and chromatographic column management module, wherein

This DBM, for storing chromatograph column information, this chromatograph column information at least includes the use information of chromatographic column；

This isolates and purifies module, for execute and generate the separation purifying technique of target compound system, chromatographic column clear That washes that regeneration preserves flow process and chromatographic column scraps disposal process；

This chromatographic column management module, further includes：

Matching unit, this DBM of information retrieval for the target compound system based on user input and connection The use information of the chromatographic column in other DBMs of net is to recommend reusable chromatographic column, and/or base to user Information in the target compound system of user input recommends suitable New GC column to user, and the color selected based on user Spectrum post retrieves the application message of the chromatographic column of same model of coupling for user's selection from central database；And

Database manipulation unit, for each target compound system isolate and purify end after update this data base's mould The use information of the chromatographic column of storage in block.

In one example, if retrieving reusable chromatographic column, this matching unit preferentially is recommended to weigh to user The multiple chromatographic column using, and if do not retrieve reusable chromatographic column, it is suitable that this matching unit is recommended to user New GC column, so that user selects；And/or

Reusable chromatographic column includes once being used for separating the chromatograph of same or analogous target compound system Post, wherein preferential by the once used chromatographic column for separating same or analogous target compound system of user oneself Mate and recommend this user；And/or

The use information of one root chromatogram column include following at least one：The whether used use state of this chromatographic column is believed The separation purifying technique letter of breath, the accumulative information of target compound system isolating and purifying each time and target compound system Breath and the operation user profile this time isolating and purifying, the bullets information isolating and purifying every time, this accumulative chromatographic column make Number information, this chromatograph column separating purification terminate after cleaning preserve the information of technological process, the scrapping of this chromatographic column Judgement information that whether disposal information, this chromatographic column can be continuing with and the positional information that this chromatographic column is deposited.

In one example, a kind of application message of the chromatographic column of model include this model chromatograph column separating purification a kind of or The set of the using method information of multiple target compounds system, wherein, using method information is according to different target compounds The information of system is classified, and each using method information has corresponding assessment efficiency, the same model mated In the application message of chromatographic column, the using method information of same category is recommended to user.

In one example, the assessment efficiency of the using method information of the same category of chromatographic column is at least determined by following parameter Fixed：The efficiency of separation purifying technique and the cost of actual reusable number of times and chromatographic column cleaning and regeneration are wherein separately pure The efficiency of metallization processes includes the response rate, Material Cost and the time cost of target compound；And/or

Using method information includes the information of target compound system, separation purifying technique information or is used for obtaining this separation The information of purifying process information, isolate and purify technological process information that the chromatographic column cleaning and regeneration after end preserves, chromatographic column Scrap disposal information, and this model one or more target compound system of chromatograph column separating purification when reality can Reusable number information；And/or

This chromatographic column management module also includes analytic unit, this isolate and purify module performance objective chemical combination objects system point After purifying process, if institute can not be continuing with using chromatographic column, this analytic unit is from this DBM and networking The using method letter with regard to used chromatographic column is extracted in use information with regard to used chromatographic column in other DBMs Breath, this database manipulation unit is authorized based on user and uploads extracted using method information to this central database to update Application message using the chromatographic column of the model of chromatographic column.

In one example, this analytic unit is estimated to the using method information extracted and analyzes, and only works as assessment When efficiency is better than the using method information of the same category of chromatographic column of existing same model, this database manipulation unit is just based on User authorizes and uploads extracted using method information.

In one example, this using method information includes the information of target compound system and associated isolating and purifying Technique information, this isolates and purifies the chromatographic column that module selected using user according to isolating and purifying in the using method information recommended Technique information or the separation purifying technique according to self-designed separation purifying technique performance objective chemical combination objects system.

In one example, after this isolates and purifies the separation purifying technique of module performance objective chemical combination objects system, generate this The secondary separation purifying technique information isolating and purifying, this database manipulation unit is based on newly-generated separation purifying technique information at this In DBM the newly-increased use information of chromatographic column with regard to being used or to existing with regard to the chromatographic column that used Use information is updated.

In one example, the work that the chromatographic column cleaning and regeneration after this using method information also includes isolating and purifying end preserves Skill procedure information, this isolates and purifies module after the separation purifying technique of performance objective chemical combination objects system, if the color being used Spectrum post can be continuing with, then this isolates and purifies what module preserved according to the chromatographic column cleaning and regeneration in the using method information recommended Technological process information preserves flow process to execute to the cleaning and regeneration of used chromatographic column；And/or

What this using method information also included chromatographic column scraps disposal information, and this isolates and purifies module in performance objective chemical combination After the separation purifying technique of objects system, if the chromatographic column being used can not be continuing with, this isolates and purifies module according to pushing away Chromatographic column in the using method information recommended scrap disposal information come to execute to scrap disposal process using chromatographic column； And/or

This chromatographic column management module also includes analytic unit, isolates and purifies dividing of module performance objective chemical combination objects system at this After purifying process, the use information based on the chromatographic column being used for this analytic unit or user setup judge currently used Whether chromatographic column is continuing with, if user setup instruction does not need to be carried out regenerating flow process or is expected according to use information clear The cost washing regeneration reuses the cost of saving again more than chromatographic column, then judge that used chromatographic column does not continue to make With.

In one example, this isolate and purify module execution chromatographic column cleaning and regeneration preserve flow process after, generate with regard to The procedure information that this cleaning and regeneration preserves, the procedure information that this database manipulation unit is preserved based on newly-generated cleaning and regeneration The newly-increased use information of chromatographic column with regard to being used or to the existing chromatograph with regard to being used in this DBM The use information of post is updated；And/or

This isolates and purifies module after disposal process is scrapped in execution, generates the information that this scraps disposal process, this number According to storehouse operating unit, the color with regard to being used is increased newly in this DBM based on the newly-generated information scrapping disposal process Compose the use information of post or the use information of the existing chromatographic column with regard to being used is updated.

In one example, this DBM also stores user profile, and this user profile includes the chromatographic column of user's use Number information and user account information, often using a chromatographic column, this database manipulation unit is new according to using for user Chromatographic column or reusable old chromatographic column different situations, correspondingly increase newly or update this user using this color The number information of spectrum post is simultaneously updated operation accordingly to the accounts information of this user.

According to a further aspect in the invention, there is provided a kind of method being applied to chromatographic reuse chromatographic column, should Method includes：

The information of the target compound system of receiving user's input；

This chromatographic data base of the information retrieval of the target compound system based on user input and networking other The use information of the chromatographic column in data base to recommend reusable chromatographic column to user, and/or based on user input The information of target compound system recommends suitable New GC column to user；

The application letter of the chromatographic column of the same model of coupling is retrieved based on the chromatographic column that user selectes from central database Breath is to recommend user；

The chromatographic column selected using user and target compound system is carried out separate with reference to the application message mated Purification；And

Target compound system isolate and purify end after update in this chromatographic data base the chromatographic column of storage Use information.

In one example, if retrieving reusable chromatographic column, preferentially recommend reusable color to user Spectrum post, and if do not retrieve reusable chromatographic column, to user's suitable New GC column of recommendation, for user's choosing Select；And/or

Reusable chromatographic column includes once being used for separating the chromatograph of same or analogous target compound system Post, recommend when priority match and to user recommend by this user oneself once used for separate same or analogous mesh The chromatographic column of mark chemical combination objects system；And/or

In one example, a kind of application message of the chromatographic column of model include this model chromatograph column separating purification a kind of or The set of the using method information of multiple target compounds system, wherein, using method information is according to different target compounds The information of system is classified, and each using method information has corresponding assessment efficiency, and this recommends repeatable to user The chromatographic column using includes：Recommend the use of same category in the application message of chromatographic column of mated same model to user Method information.

The method also includes：After the separation purifying technique of performance objective chemical combination objects system, if used chromatographic column is not Can be continuing with, with regard to used chromatographic column from other chromatographic data bases of this chromatographic data base and networking The using method information with regard to used chromatographic column is extracted in use information；Authorized based on user and upload extracted using method Information is to this central database to update the application message of the chromatographic column of the model of used chromatographic column.

In one example, the method also includes：The using method information extracted is estimated and analyzes, when assessment effect When rate is better than the using method information of the same category of chromatographic column of existing same model, upload is authorized to be extracted based on user Using method information.

In one example, this using method information includes the information of target compound system and associated isolating and purifying Technique information, this target compound system is carried out isolating and purifying including：The chromatographic column selected using user is according to making of recommending With the separation purifying technique information in method information or according to self-designed separation purifying technique performance objective chemical combination object The separation purifying technique of system.

In one example, the method also includes：After the separation purifying technique of performance objective chemical combination objects system, generate this The secondary separation purifying technique information isolating and purifying；And based on newly-generated separation purifying technique information in this chromatographic data The newly-increased use information of chromatographic column with regard to being used or the use information to the existing chromatographic column with regard to being used in storehouse It is updated.

In one example, the work that the chromatographic column cleaning and regeneration after this using method information also includes isolating and purifying end preserves Skill procedure information, this carries out isolating and purifying also including to target compound system：Pure in the separation of performance objective chemical combination objects system After metallization processes, if the chromatographic column being used can be continuing with, according to the chromatographic column cleaning in the using method information recommended Regenerate the technological process information preserving to execute the cleaning and regeneration preservation flow process to used chromatographic column；And/or

What this using method information also included chromatographic column scraps disposal information, and this carries out separating pure to target compound system Change and also include：After the separation purifying technique of performance objective chemical combination objects system, if the chromatographic column being used can not be continuing with, Then according to the chromatographic column in the using method information recommended scrap disposal information execute to scrap place using chromatographic column Put flow process；And/or

After the method is additionally included in the separation purifying technique of performance objective chemical combination objects system, based on the chromatographic column being used Use information or user setup judge whether currently used chromatographic column is continuing with, if user setup instruction do not need to carry out Cleaning and regeneration flow process or the one-tenth reusing saving according to the cost that use information is expected cleaning and regeneration more than chromatographic column again This, then judge that used chromatographic column does not continue to use.

In one example, the method also includes：After the cleaning and regeneration of execution chromatographic column preserves flow process, generate with regard to this The procedure information that secondary cleaning and regeneration preserves, and the procedure information based on newly-generated cleaning and regeneration preservation is in this chromatographic number Use letter according to the use information of chromatographic column with regard to being used newly-increased in storehouse or to existing with regard to the chromatographic column that used Breath is updated；And/or

The method also includes：After disposal process is scrapped in execution, generate the information that this scraps disposal process, Yi Jiji In the newly-generated information scrapping disposal process in this chromatographic data base newly-increased using with regard to the chromatographic column that used The information or use information of the existing chromatographic column with regard to being used is updated.

In one example, the method also includes：User often using a chromatographic column, according to use new chromatographic column or Person is the different situations of reusable old chromatographic column, correspondingly increases newly or update this user in this chromatographic data base The number information using this chromatographic column and operation is updated accordingly to the accounts information of this user.

Brief description

After reading the detailed description of embodiment of the disclosure in conjunction with the following drawings, better understood when the present invention's Features described above and advantage.In the accompanying drawings, each assembly is not necessarily drawn to scale, and has similar correlation properties or feature Assembly be likely to be of same or like reference.

Fig. 1 shows the Organization Chart of the system of guiding user reuse chromatographic column according to an aspect of the present invention；

Fig. 2A and Fig. 2 B shows the flow process of the method for guiding user reuse chromatographic column according to an aspect of the present invention Figure；

Fig. 3 shows the flow chart that chromatographic column according to an aspect of the present invention scraps disposal；

Fig. 4 shows a kind of schematic diagram of the application message of model chromatographic column according to an aspect of the present invention；And

Fig. 5 shows a kind of system construction drawing of change case of the present invention.

Graphic extension and lexical or textual analysis：

Tissue：Refer to legal mechanism or the groups such as enterprise, school, scientific research institutions.

User：Refer to researcher.

Isolate and purify：Refer to for one or more mixture separating-purifyings to become single pure material component, and/and/or determine each The process of the purity of pure material component and technique.

Target compound：Refer to single compound or pure material component that user needs to isolate and purify.

Initial compounds：Refer to the one or more starting compounds for direct one-step synthesis target compound.

Target compound system：Refer to the mixing comprising target compound and/or initial compounds and/or impurity compound Thing.In the mixture isolating and purifying middle finger purification to be separated or sample.

The characteristic information of compound：Finger can uniquely characterize the information of compound, including but not limited to：The molecule of compound Unique No. CAS or No. MDL of structural information, the name information of compound, compound.

The characteristic information of target compound system：Refer to include initial compounds molecular structure information or No. CAS or No. MDL, Target compound molecular structure information or No. CAS or No. MDL, and/or impurity compound molecular structure information or No. CAS or MDL Number the information that can uniquely characterize a target compound system.

The information of target compound system：Can characterize and distinguish the information of a target compound system, including but not It is limited to the characteristic information of target compound system, and/or target compound system is the TLC (thin layer chromatography of mixture or sample Plate) information, and/or Information in Mass Spectra etc..When a target compound system characteristic information disappearance or can not disclosed in the case of, Described information can distinguish a target compound system.

Separation purifying technique information：The including but not limited to information of target compound system and/or the letter of pretreating process Breath, and isolation and purification method information, wherein isolation and purification method information also include the sample loading mode information of sample and sample The information of applied sample amount, and flowing instant dose of system information of phase information.

Chromatographic column：Indication chromatographic column of the present invention includes but is not limited to preparative scale chromatography post and analytical type chromatographic column.

Chromatographic column production information or information of dispatching from the factory：Including but not limited to the production code member of chromatographic column or gauge size information, Product batch number information, filler (fixing phase) information, cost information and/or default reusable number information, Yi Jibiao The parameter information levying column performance includes the number of plates, the parameter information such as peak type of separating degree and standard sample.

The use information of chromatographic column：Refer to the information of the usage history of a root chromatogram column, including but not limited to described chromatographic column The separation purifying technique letter of the accumulative information of target compound system isolating and purifying every time and described target compound system Breath and each this user profile isolating and purifying and/or bullets information isolating and purifying every time, accumulative described of operating Chromatographic column use number information (include different users the number information of use statistics), described chromatographic column scrap place Confidence breath, described chromatograph column separating purification terminate after cleaning preserve the information of technological process, the last described chromatograph Post cleans the positional information that the information of result preserving and described chromatographic column are currently deposited.The letter of the result that chromatographic column cleaning preserves Breath includes cleaning chromatographic column solvent system information and whether can reusable judgement information to this chromatographic column.

The application message of chromatographic column：Refer to one or more target compound system of chromatograph column separating purification of a kind of model Using method information set.Described using method information includes the information of target compound system, and separation purifying technique is believed Breath or the information obtaining this separation purifying technique information, isolate and purify the technological process letter that the cleaning of the chromatographic column after end preserves Breath, scraps disposal information when chromatographic column can not reuse, and one or more of the chromatograph column separating purification of described model The reusable number information of reality during target compound system.

02：The general designation of data base, including in central database 101, central database 102 and liquid chromatograph instrument or device DBM 111.

10：Access the database server cluster of the Internet.

101：Positioned at the central database at the Internet end, run on 10.

102：Central database positioned at organization internal.

11：A kind of liquid chromatograph instrument or device.

111：DBM：Comprise the software and hardware system of data base and control program, run in instrument or device 11 Chip/chipset or run on external equipment.

112：Isolate and purify module.Can be according to the user instruction receiving and/or computer instruction performance objective chemical combination The separation purifying technique of objects system.

1121：Isolate and purify the control unit in module 112.

11211：Wireless network communication unit.

11212：Cable network communication unit.

1122：Isolate and purify the performance element in module 112.

113：Pylon module.

1131：It is installed on one or more chromatographic column of pylon module.

114：Chromatographic column management module.

1141：Analytic unit in chromatographic column management module 114.

1142：Matching unit in chromatographic column management module 114.

12：Terminal unit.Mainly as the User Interface of liquid chromatograph instrument or device 11, receive user information Input and the feedback of the information of liquid chromatograph instrument or device 11.And the operation carrier of mobile terminal App application program.

121：Smart mobile phone mobile terminal device.

122：Panel computer mobile terminal device.

123：Computer terminal, containing notebook computer terminal.

13：Be in wireless network communication unit 11211 foundation wireless network range 141 outside network general designation.

14：Wirelessly or non-wirelessly network connection, as the control list in terminal unit 12 and liquid chromatograph instrument or device 11 The data communication passage of unit.

141：The wireless network communication unit 11211 in control unit 1121 in liquid chromatograph instrument or device 11 is realized Have limit physics communication context wireless communication networks.

15：Network connection, the LAN of mainly same organization internal connects or Wide Area Network connects, and uses Data communication between different pieces of information library module 111.

16：Wide Area Network connects, and the data being mainly used between DBM 111 and central data library module 101 is led to News.

17：Network connection, connects including LAN and Wide Area Network connects, and is mainly used in terminal unit 12 and liquid phase color Data communication between spectrometer device or device 11 and/or database server cluster 10.

50：One tissue.

501：Organize the database server of 50 internal operation central databases 102, can be one or many Individual.

51：User side, including user, the set of chemical apparatuses or device 11 and network etc..

511：Terminal unit 12 and the data communication network of chemical apparatuses or device 11.

512：User within tissue 50.

52：The dedicated Internet access of organization internal, for organization internal chemical apparatuses or device 11 and central database Data communication.

53：Wide Area Network connects, and is mainly used in the data communication between central database 102 and central database 101.

Specific embodiment

Before explanation assembly of the invention structures and methods flow process in detail, the operation principle that the present invention is relied on first is described in detail.

Below in conjunction with the drawings and specific embodiments, the present invention is described in detail.Note, below in conjunction with accompanying drawing with specifically in fact The aspects applying example description is only exemplary, and is understood not to carry out any restriction to protection scope of the present invention.

A kind of chromatographic column, especially forward chromatographic column, isolate and purify same or analogous target compound system, and make Use same or analogous solvent system, can more efficiently reuse, and extend reusable number of times.The present invention passes through Record and obtain chromatographic column use information, guiding user more efficiently reuse a root chromatogram column carry out same or similar The the isolating and purifying of target compound system.

The present invention uses Internet technology, processes, by collecting, chromatograph column separating purification one kind or many that different user provides The using method information of kind of target compound, and after the using method information collected is classified and assessed, be given current A kind of optimal using method information of one or more target compound system of chromatograph column separating purification of model.And, use Family can optimize existing optimal using method information, develops the more efficient using method information of this model chromatographic column And upload update this model chromatographic column application message supply other users with reference to use, thus reach to greatest extent using or weigh Again using the effect of chromatographic column.

A kind of application message of the chromatographic column of model is all chromatograph column separating purification one kind or many belonging to this kind of model Plant the set of the using method information of target compound system.The information of the target compound system according to chromatograph column separating purification The using method information of chromatographic column can be classified.The using method information of the chromatographic column of same category can pass through one Evaluation system determines assessment efficiency value laggard row major level sequence, and the high using method information preferential recommendation of assessment efficiency value is given and used Family.Described evaluation system is determined by following parameter：The efficiency of separation purifying technique, actual reusable number of times and chromatographic column are clear Wash the cost of regeneration.

User isolates and purifies a kind of a kind of target compound system (i.e. mixture using liquid chromatograph instrument of the present invention Or sample) when, first pass through target compound system information retrieval coupling isolated and purified same or analogous targeted The reusable chromatographic column of compound system, if retrieving the reusable chromatographic column of coupling, preferential recommendation is used Family is using the reusable chromatographic column of coupling.Further, after user selectes the chromatographic column that this isolates and purifies use, inspection The application message of the chromatographic column of same model of rope coupling, if retrieving the application message of the chromatographic column of coupling, preferentially pushes away Recommend the optimal using method information in the application message of chromatographic column described in user.

Without the reusable chromatographic column retrieving coupling, and/or the chromatograph also not retrieving coupling The application message of post, then after user completes the isolating and purifying of target compound system, record and preserve this chromatographic column using letter Breath, and when described chromatographic column can not be reused again, authorized according to user, carry from the use information of described chromatographic column Take using method information and through assessment after can upload be distributed to central database increase newly the affiliated model of described chromatographic column should With information, and obtain for other users and use.

When a root chromatogram column can not be reused again, user can scrap disposal information according to the chromatographic column of coupling and enter Row chromatographic column scrap disposal, reduce the impact to environment to greatest extent.Report without the chromatographic column retrieving coupling Useless disposal information, then liquid chromatograph instrument of the present invention guide what user carried out described chromatographic column to scrap disposal, and according to Family mandate is uploaded to central database disposal of scrapping of newly-increased chromatographic column in the application message of the affiliated model of described chromatographic column and flows Journey obtains for other users and uses.

Referring to concrete accompanying drawing, the embodiment of this case is described in detail.

The guiding user that Fig. 1 shows according to an aspect of the present invention reuses the framework of the system 100 of chromatographic column Figure.System 100 includes the chromatographic apparatuss 11 of one or more networkings, such as chromatograph of liquid (hereinafter referred " instrument ").Instrument 11 can according to embodiments of the invention isolating and purifying come performance objective chemical combination objects system, obtain, record and store chromatographic column Use information, and obtain the application message with more New GC column, As described in detail below.

As shown in figure 1, instrument 11 may include DBM 111, isolates and purifies module 112, pylon module 113 and chromatograph Post management module 114, shows terminal unit 12 in association with every instrument 11, and instrument 11 can enter line number with terminal unit 12 According to communication and interaction.

System 100 may include multiple instruments 11, in addition may include the central database server cluster positioned at the Internet end 10 (including central database 101) and one or more terminal unit 12.Can be with other access networks after instrument 11 access network The instrument 11 of network and central database server 10 carry out data communication.

Isolate and purify module 112 and may include control unit 1121 and performance element 1122.Performance element 1122 can mainly be used In isolating and purifying of performance objective chemical combination objects system, and the cleaning of chromatographic column preserves and scraps the relevant portion of disposal process, The flushing of such as solvent and removal dry up solvent.

Control unit 1121 may include network communication unit, wireless network communication unit 11211 He for example as depicted Cable network communication unit 11212, for terminal unit 12 and performance element 1122, DBM 111 pylon mould The communication of block 113 and chromatographic column management module 114 and control.

When user is located in the wireless communication networks 141 that wireless network communication unit 11211 is set up, it is possible to use mobile Terminal unit 121 and/or 122 is set up wireless network with instrument 11 and is connected 14 it is possible to pass through control unit 1121 to instrument 11 Operated and controlled.In one example, this cordless communication network 141 can be WLAN, and e.g. one experiment is indoor WLAN.When outside user being located at wireless communication networks 141, such as not in laboratory, and it is at laboratory When in other networks 13 outside WLAN, it is possible to use other terminal units 12 set up network connection with instrument 11 17, and then working condition and the working result of instrument 11 is inquired about by control unit 1121.

The pylon module 113 of instrument 11 can be used for installing and connects chromatographic column.More preferably, pylon module 113 can provide Status information in pylon module for the chromatographic column, has installed the status information of connection including chromatographic column and chromatographic column has not installed connection Status information.

The DBM 111 of instrument 11 can be used for storing the separation purifying technique of target compound system, chromatographic column Produce/dispatch from the factory information, the use information of chromatographic column and user profile.The life of the chromatographic column of DBM 111 storage here Produce/dispatch from the factory information and use information can be the chromatographic column local with regard to instrument 11 production/information of dispatching from the factory and use information, example As being laboratory, company, the production/information of dispatching from the factory of all chromatographic columns of tissue and the use information that instrument 11 is located.Logical Cross the production/information of dispatching from the factory of chromatographic column storing in DBM 111 and use information it will be appreciated that local user can make The overview of chromatographic column, such as service condition, so that follow-up recommend suitable chromatographic column to carry out isolating and purifying work for user.

The production information of chromatographic column/information of dispatching from the factory is uploaded to the central database at the Internet end by the manufacturer of chromatographic column 101, the production/information of dispatching from the factory of chromatographic column can be obtained after instrument 11 access network, to be stored in DBM 111.

In the present invention, use information is the information of the usage history that have recorded chromatographic column.For each root chromatogram column Speech, use information is that this root chromatogram column is carried out one kind by one or more users (user) one or many using this chromatographic column Or the true record of the usage history isolating and purifying of multiple target compounds system.The use information of chromatographic column may include but not It is limited to：The whether used use state information of this chromatographic column, the accumulative target compound system isolating and purifying each time User profile that the separation purifying technique information of information and target compound system and operation this time isolate and purify, separate every time The bullets information of purification, this accumulative chromatographic column use number information, this chromatograph column separating purification terminate after cleaning The information of technological process, the judgement information that whether can be continuing with of this chromatographic column and the described chromatographic column preserving is deposited Positional information, this chromatographic column scrap disposal information etc..The information of the technological process that the cleaning of chromatographic column preserves for example can be wrapped Include the solvent system information of cleaning chromatographic column.By the use information of a root chromatogram column it will be appreciated that the use of this root chromatogram column History.So, in inquiry DBM 111, the use information of all chromatographic columns is it will be appreciated that local all available chromatographs The service condition of post, thus recommend reusable chromatographic column for user.

Instrument 11, after the separation purifying technique of performance objective chemical combination objects system, can generate chromatographic column that is newly-increased or updating Use information is simultaneously stored in DBM 111.By network connection 15, the different data in different instruments 11 Data exchange can be carried out, including but not limited between library module 111：Obtain the use information of new chromatographic column, transmission or more The newly use information of existing chromatographic column.

The application message of the chromatographic column that can be stored with central database 101.For the chromatographic column of each model, should It is the set of the using method information of one or more target compound system of chromatograph column separating purification of this kind of model with information. Using method information may include but be not limited to：The information of target compound system, separation purifying technique information or be used for obtaining this The information of separation purifying technique information, isolate and purify technological process information, the chromatograph that the chromatographic column cleaning and regeneration after end preserves Post scrap disposal information, and this model one or more target compound system of chromatograph column separating purification when reality Reusable number information.

The application message of chromatographic column can be classified according to the information of different target compound systems, and each use Method information has corresponding assessment efficiency.The assessment efficiency value of the using method information of the same category of chromatographic column at least can be by Following parameter determines：The efficiency of separation purifying technique and the cost of actual reusable number of times and chromatographic column cleaning and regeneration, The efficiency of wherein separation purifying technique includes the response rate, Material Cost and the time cost of target compound.

Fig. 4 shows a kind of application message of model chromatographic column according to different target compound according to an aspect of the present invention The schematic diagram that system is classified and is ranked up according to the assessment efficiency value of using method information.

The specific chromatographic column of each of each model can isolate and purify different target compound systems, thus producing The different using method information of life.Each using method information corresponds to specific target compound system.It is thus possible to according to Target compound system is classified to these using method information.

As shown in figure 4, the multiple using method information processing a kind of target compound system 411 are divided into a class, including Using method information 411-1,411-2 ... 411-n；Process multiple using method letters of another kind of target compound system 412 Breath be divided into another kind of, including using method information 412-1,412-2 ... 412-n；And process another m kind target compound body Be that multiple using method information of 41m are divided into another m class, including using method information 41m-1,41m-2 ... 41m-n.

In addition, corresponding to each classification, the using method information of this classification can be ranked up according to efficiency value.Thus, with When family needs the purifies and separates carrying out specific objective chemical combination objects system using specific chromatographic column, can retrieve in central database The application message of chromatographic column, specifically finds the corresponding application message of model of this chromatographic column, it is right to find from this application message Should specific objective chemical combination objects system classification using method information, and then from the using method information of this classification recommend effect The higher using method information of rate carries out this purifies and separates to user.

Application message can be extracted from the use information of the chromatographic column of the DBM 111 of each instrument 11, these should Central database 101 can be uploaded to information, so that all users being able to access that central database 101 share use.At it In his embodiment, the DBM 111 of instrument 11 also can enter row data communication with central database 101, to obtain chromatographic column Application message.

In the present invention, instrument 11 may include chromatographic column management module 114, and be mainly used in chromatographic column uses management.Tool Body ground, chromatographic column management module 114 may include analytic unit 1141, matching unit 1142 and database manipulation unit 1143.

When user needs the purifies and separates executing specific objective chemical combination objects system, can for example pass through on terminal unit 12 User interface inputs the information of target compound system.After receiving the information of this target compound system, control unit 1121 refers to The information based on the target compound system of user input for the matching unit 1142 is made to retrieve chromatographic column in DBM 111 Use information, to recommend reusable chromatographic column to user.Here, reusable chromatographic column refers to once be used for dividing Chromatographic column from excessively same or analogous target compound system.For example, the letter of the target compound system according to user input What knowable to breath, hope isolated and purified is target compound system A, then the chromatograph in matching unit 1142 searching database module 111 The use information of post, to search whether to there is the color being once used for excessively same or analogous target compound system A of purifies and separates Such chromatographic column if there are such chromatographic column, is then recommended user by spectrum post, thus recommended users use once made as far as possible Used reusable chromatographic column, to improve the utilization ratio of every root chromatogram column as much as possible and to avoid target compound Potential cross-contamination.

User in addition to inputting the information of target compound system, the item that also can input such as user profile, isolates and purifies Mesh number information etc..In use information, user profile, the bullets information isolating and purifying may be with target compound bodies The information of system is associated, thus also can by user profile, the bullets information that the isolates and purifies chromatographic column to retrieve coupling Recommend user.Especially, in user input in the case of user profile and the bullets information that isolates and purifies, can be first Recommended users oneself once used chromatographic column.

The reusable chromatographic column that matching unit 1142 is recommended can be one or more, and user may select from. Except reusable chromatographic column, matching unit 1142 also can recommend suitable New GC column.For example, matching unit 1142 can The information of the target compound system according to user input, specifically mainly according to target compound system (i.e. mixture, or sample Product) TLC (information of chromatographic sheet, such as R_fValue) information, total sample size determine suitably new chromatographic column to calculate, To recommend user.Certainly, matching unit 1142 can recommend reusable chromatographic column first, makes not having to repeat In the case of chromatographic column, then recommend suitably new chromatographic column.User can choose weighing of recommendation according to their needs The new chromatographic column of the multiple chromatographic column using or recommendation is not it is also possible to select the chromatographic column recommended, and uses its of oneself selection His chromatographic column.If using reusable chromatographic column, user is according to the deposit position in the use information of this chromatographic column Information, finds this chromatographic column, and is installed in pylon module 113.

After user selectes chromatographic column, chromatographic column management module 114 can read unique number information of this chromatographic column, Obtain the production/information of dispatching from the factory of this chromatographic column and the use state letter of chromatographic column according to the number information retrieval read in data base Breath.If the use state information of the chromatographic column obtaining is untapped state, and this chromatographic column is installed on pylon module standard It is ready for use on isolating and purifying of this target compound system, then increase the information of this chromatographic column in DBM newly.If color The use state information of spectrum post is used state, then obtain the use information of this chromatographic column further and by control unit 1121 operations carrying out correlation.The associative operation of control unit 1121 includes：If this chromatographic column is installed on pylon module 113 On, then this separation purifying technique that control unit 1121 comparison match unit 1142 selects needs the information of the chromatographic column using With the information of the chromatographic column being installed on pylon module obtaining, if information is consistent, continue this separation purifying technique stream Journey, if information is inconsistent, control unit 1121 is pointed out the information of user's chromatographic column setup error and is selected to install correctly Chromatographic column is in pylon module 113.If this chromatographic column is not also installed on pylon module, control unit 1121 can be in instrument 11 Display device or be shown in data base and obtaining by the mobile terminal device of network linking or other-end equipment with instrument 11 The information used in connection with regard to this chromatographic column taking, including the information of the last target compound system, solvent system letter Breath and user profile etc..

After user selectes chromatographic column to be used, matching unit 1142 can be based further on the chromatograph that user selectes The application message of the chromatographic column of same model of coupling retrieved from central database 101 by post, so that performance element 1122 uses The chromatographic column that user selectes and the application message mated carry out corresponding operating.

Specifically, matching unit 1142 can retrieve the application message of the chromatographic column in central database 101, find with regard to The application message of the chromatographic column of the model of this chromatographic column that family is selected, wherein the using method information in this application message is basis Target compound system is classified, can from this purification to be separated target compound this classification of system use In method information, by efficiency highest using method information recommendation to user.It is of course also possible to all uses that this is classified Method information all recommends user, is voluntarily selected by user.User may be selected the using method information in the application message recommended, Also the using method information of recommendation can not be used, and purifies and separates are carried out according to the technological process of designed, designed.

Chromatographic column that performance element 1122 is selected using user and the operation that the application message mated is carried out may include What the separation purifying technique of target compound system, the cleaning and regeneration of chromatographic column preserved flow process and chromatographic column scraps disposal process. Certainly, in the case of non-selected the mated recommendation application message of user, performance element 1122 voluntarily sets also dependent on user The technological process of meter is to carry out isolating and purifying, chromatographic column cleaning and regeneration preserves and scraps disposal process.

For example, unit 1122 is first carried out to be held according to the separation purifying technique information in the using method information recommended The separation purifying technique of row target compound system.After execution separation purifying technique, performance element 1122 also can generate this Isolate and purify the separation purifying technique information of process.Database manipulation unit is being counted based on newly-generated separation purifying technique information According to the use information of chromatographic column with regard to being used newly-increased in library module 111 or to existing with regard to the chromatographic column that used Use information is updated.

After execution separation purifying technique, the use information based on chromatographic column for the analytic unit 1141 and user setup judge Whether this chromatographic column also continues to use.If user setup instruction does not need to be carried out regenerating flow process or according to regard to this chromatograph The use information of post is expected that the cost of cleaning and regeneration reuses the cost of saving again more than chromatographic column, then judge this chromatographic column Do not continue to use.

If chromatographic column also needs to be continuing with it indicates that unit 1141 can be according to the chromatographic column in the using method information recommended The technological process information that cleaning and regeneration preserves is executing to the cleaning and regeneration of use chromatographic column preservation flow process.In execution cleaning again After raw preservation flow process, performance element 1122 can generate the procedure information preserving with regard to this cleaning and regeneration.Correspondingly, data base Operating unit 1143 can be increased newly with regard to being made in DBM 111 based on the procedure information that newly-generated cleaning and regeneration preserves The use information of the chromatographic column or use information of the existing chromatographic column with regard to being used is updated.

If chromatographic column does not continue to use, performance element 1122 can be according to the chromatographic column in the using method information recommended Scrap disposal information come to execute to scrap disposal process using chromatographic column.After disposal process is scrapped in execution, execution What unit 1122 can generate that this scraps disposal scraps disposal information.Database manipulation unit 1143 can upload newly-generated scrapping Processing information is to DBM 111, other DBMs 111 of networking and central database 101 for sharing.

If chromatographic column does not continue to use, analytic unit 1141 can be from other data of DBM 111 and networking The using method information with regard to this chromatographic column is extracted in the use information of used chromatographic column of library module storage.Database manipulation Unit 1143 can be authorized based on user and upload extracted using method information to central database 101 to update used chromatograph The application message of the chromatographic column of the model of post.

More preferably, only when assessment efficiency is better than the using method information of the same category of the chromatographic column of existing same model When, described database manipulation unit ability is authorized based on user and uploads extracted using method information.For example, when making of being extracted With the assessment efficiency of method information be higher than existing same model the using method information of the same category of chromatographic column in highest During the using method information of efficiency, just upload and update.

Because even if the application message that user recommends according to matching unit 1142 is operated, it is possible that user (some parameters of such as mixture when using this root separation column separating purification same or analogous target compound system Have that some are different from existing), a little change or " optimization " are carried out to flow process (or existing isolation and purification method), then just Preferably situation occurs.

For design is, be such as same target compound system, but because of building-up process or to mixture after The impact of some variable factors in processing procedure, can lead to the composition of each component of target compound system (i.e. mixture) to contain The difference of amount, thus leading to some tiny changes of isolation and purification method, if each user can be " poor in multi-pass operation These changes to the greatest extent ", then in theory, when user from now on meets this target compound system, just can find highest The using method of efficiency.

And, use once used reusable chromatographic column to encourage user to try one's best, with save resources, number Include number information and the user account information of the chromatographic column of user's use according to the user profile in library module 111.User often makes With a chromatographic column, database manipulation unit 1143 can be according to using new chromatographic column or reusable old color The different situations of spectrum post, correspondingly increase or update the number information using this chromatographic column the account to this user of this user newly Information is updated operation accordingly.For example, often reuse once old chromatographic column, you can increase remaining in accounts information Volume, thus setting up corresponding incentive mechanism, thus encourage user to reuse chromatographic column.

In FIG, each tissue, such as each laboratory or company have an instrument 11, the instrument 11 of each tissue May be connected to central database 101.Local all of chromatographic column is stored in the data base 111 of the instrument 11 of each organization internal Use information, and in central database 111, store the application message of various types of chromatographic columns.Certainly, the data base of instrument 11 111 also can enter row data communication to obtain this application message with central database 111.

When carrying out the purifies and separates of target compound system, user can inquire about all in DBM 111 user The use information of chromatographic column it will be appreciated that the service condition of local all available chromatographic columns, thus recommend repeatable for user The chromatographic column using.If there are such chromatographic column, then such chromatographic column is recommended user, thus recommended users make as far as possible With once used reusable chromatographic column, to improve the utilization ratio of every root chromatogram column as much as possible.

Once user have selected chromatographic column, central database 101 can be inquired about again and be applied to this to find in the range of whole network The using method information of the optimum of chromatographic column and target compound system, thus improve purifies and separates efficiency.

Fig. 2A and Fig. 2 B shows the flow process of the method for guiding user reuse chromatographic column according to an aspect of the present invention Figure.As illustrated, the method may include following steps：

Step 21：The information of the target compound system that user input needs isolate and purify.

It is mixture or sample that the information of target compound system may be used to characterize and distinguish a target compound system, Including the characteristic information of target compound system, and/or target compound system is the TLC (thin layer chromatography of mixture or sample Plate) information, and/or Information in Mass Spectra etc..When a target compound system characteristic information disappearance or can not disclosed in the case of, Described information can distinguish a target compound system.

Except the information of target compound system, user also can input user profile and/or the bullets isolating and purifying Information.

Step 22：The above- mentioned information that matching unit 1142 passes through to obtain retrieves the reusable of coupling in data base Chromatograph column information and/or according to the information of target compound system for user recommend suitably new chromatographic column carry out separating pure Change.

Step 23：If retrieving the information of the reusable chromatographic column of coupling, execution step 231 judges further Whether selection, using the reusable chromatographic column of coupling, if selecting the reusable chromatographic column using coupling, is held Row step 24.If not retrieving the information of the reusable chromatographic column of coupling, execution step 25.

Step 24：Control unit 1121 selects to carry out point using the reusable chromatographic column of coupling based on user instruction From purification.

Step 25：Control unit 1121 selects the suitably new chromatographic column of matching unit 1142 recommendation based on user instruction Or the chromatographic column that user voluntarily selects is isolated and purified.

Step 26：Matching unit 1142 retrieves the color of the same model mated with above-mentioned selected chromatographic column in data base The application message of spectrum column separating purification same or analogous target compound system.

If there are the application message of the chromatographic column of coupling, control unit 1121 points out user priority to select this chromatograph of coupling Using method information in the application message of post, to include loading according to the parameter information that isolates and purifies in this using method information Amount and sample loading mode carry out the setting of this separation purifying technique parameter, and it is pure to terminate this separation in performance element 1122 After metallization processes, control unit 1121 points out user priority to select the technological process that the chromatographic column in this application message cleans preservation to enter The cleaning of this chromatographic column of row and preservation, this is in judging the situation that chromatographic column can also continue to use certainly.

More preferably, efficiency highest using method information in application message can be recommended.However, user may be selected making of recommendation Use method information, also can not select the using method information recommended, and the corresponding technological process of designed, designed.

Step 261：Performance element 1122 executes this and isolates and purifies.

Performance element 1122 can according to user select recommendation using method information in separation purifying technique information or Person carries out this and isolates and purifies also dependent on the separation purifying technique setting of designed, designed.

After isolating and purifying end, control unit 1121 instruction chromatographic column management module 114 is operated accordingly.

Step 262：The setting being isolated and purified according to user and the cost of the technological process of cleaning and regeneration of estimated/calculating Judge described chromatographic column the need of be carried out regenerate.

If it is determined that not needing cleaning and regeneration, then execution step 263；If it is determined that needing cleaning and regeneration, then execution step 264.

Step 263：Chromatographic column management module 114 recommends chromatographic column to scrap the information of handling process to user, and user checks colors Spectrum post carries out scrapping disposal, execution step 265.

Performance element 1122 according to recommend scrap handling process or designed, designed scrap disposal process to chromatographic column Carry out scrapping disposal, and can generate and scrap disposal information accordingly.Database manipulation unit 1143 can make to this chromatographic column Increased newly with information or updated operation.

Step 264：Control unit 1121 instruction execution unit 1122 executes the cleaning and regeneration flow process of chromatographic column.Generate chromatograph The procedure information of the cleaning and regeneration of post.

Performance element 1122 carries out the cleaning and regeneration of chromatographic column according to the cleaning and regeneration flow process in the application message recommended.

Step 265：Authorized according to user, analytic unit 1141 extracts using method from the use information of described chromatographic column Information, can upload after assessing by analysis and be distributed to data base 02.

More preferably, only when assessment efficiency is better than the using method information of the same category of the chromatographic column of existing same model When, database manipulation unit 1143 ability is authorized based on user and uploads extracted using method information.

Step 266：Database manipulation unit 1143 is increased newly to the use information of the chromatographic column that this uses or is updated Operation.

Step 267：Database manipulation unit 1143 is increased newly to the user profile of the user that this operates or is updated behaviour Make.

Fig. 3 shows the flow chart that chromatographic column according to an aspect of the present invention scraps disposal.As illustrated, this flow process bag Include following steps：

Step 31：Judge whether chromatographic column can continue to reuse.

After separation purifying technique terminates, chromatographic column management module can use information based on chromatographic column and/or user set Put, judge whether this chromatographic column can continue to reuse.

For example, if user setup instruction does not need to be carried out regenerating flow process or is expected cleaning and regeneration according to use information Cost reuse the cost of saving again more than chromatographic column, then judge that used chromatographic column does not continue to use.

Step 32：Judge whether chromatographic column can continue to reuse, if can continue to reuse, execution step 33, if can not continue to reuse, execution step 34.

Step 33：Execution flow process 264,266,267.

Step 34：Execution chromatographic column scraps disposal process.

Step 35：Chromatographic column management module 114 searching database has or not the application message of the chromatographic column of coupling.

If there are coupling chromatographic column application message, that is, the application message of described chromatographic column include scrapping of chromatographic column The procedure information disposed, execution step 36；Without the application message of the chromatographic column of coupling, execute flow process 351.

Here retrieval matching process can be in flow process 23 retrieval matching process it is also possible to be independently of flow process 23 New retrieval matching process.

Step 351：The chromatographic column of close model of target compound system of coupling in searching database 02 further Disposal information is scrapped in application message.If there are the result of coupling, then execution step 36, otherwise execution step 352.

The chromatographic column of different model can isolate and purify identical target compound system, such as because of sample size not With the sample of undersized chromatograph column separating purification a small amount of, and the big sample of large-sized chromatograph column separating purification amount, if greatly The application message with regard to this target compound system of the chromatographic column of size does not also have the information of scrapping, if then undersized chromatograph The application message with regard to this target compound system of post have correlation scrap information, then when large-sized chromatographic column is scrapped, That can retrieve the undersized chromatographic column of coupling scraps information as reference.

Step 352：Disposal process is scrapped in guiding user's execution：

1st, whether the history of the target compound system according to this chromatograph column separating purification, have correlation in searching database 02 The specially treated requirement of compound；

2nd, generally use intensive polar solvent flushing chromatographic column can ignore to the basic noresidue of sample or impact, record solvent The parameters such as species and ratio, flow velocity and washing time；

3rd, remove the residual solvent in chromatographic column, such as using compressed air or a small size air air pump；

4th, scrap the waste liquid collected in disposal process to carry out offal treatment according to relevant regulations and form record；

5th, remove the chromatographic column scrapped after solvent to be recycled by specialized agency, the basic procedure of recycling is report Useless chromatographic column resolves into chromatographic column body and chromatographic column filler, then carries out the process of solid waste respectively according to relevant regulations；

6th, chromatographic column is generated by performance element 1122 and scrap disposal process information.

Step 353：Disposal process information is scrapped in upload.

User authorize after, unit 1141 analysis and evaluation by analysis, performance element 1122 generate chromatographic column scrap place Put procedure information and can be uploaded to data base 02 for other users acquisition use, for example, be added in central database with regard to this color In the application message of type of spectrum post.Or, scrap disposal process information and can be added in the use information of this chromatographic column, with In extraction using method information, then it is uploaded in central database for sharing.

Step 36：The disposal process information of scrapping of the chromatographic column using coupling for the recommended users carries out scrapping of described chromatographic column Disposal process.User can directly using coupling scrap disposal process it is also possible to according to coupling scrap disposal process according to Step 352 is optimized, then execution step 353.

Although said method being illustrated and is described as a series of actions for making explanation simplify, it should be understood that and understand, These methods are not limited by the order of action, because according to one or more embodiments, some actions can occur in different order And/or with from depicted and described herein or not shown herein and description but it will be appreciated by those skilled in the art that other Action concomitantly occurs.

Fig. 5 describes the instrument of the present invention and the change case of method.Tissue 50 (such as enterprises) have multiple instruments 11, and And the one or more central database server 501 of internal installation.The DBM 111 of in-house each instrument 11 can be distinguished Carry out data exchange with the centre data library module 102 in the central database server 501 of organization center status.Center DBM 102 connects 53 by internet and carries out data exchange with central data library module 101.

DBM 111 in instrument 11 can pass through the meter of server end/client with centre data library module 102 Calculation machine technology realizes the exchange of data.Centre data library module 102 and central data library module 101 can also pass through server The computer technology of end/client realizes the exchange of data.

It is assumed that enterprise has multiple laboratorys in this framework, each laboratory includes an instrument 11, this instrument 11 with Corresponding terminal unit 12 constitutes a network 51.

The user of certain laboratory will carry out the purifies and separates of target compound system in the instrument 11 using this laboratory When, institute in the DBM 111 of every other instrument that user can inquire about in the DBM 111 of this instrument and enterprise Have the use information of chromatographic column it will be appreciated that not only this laboratory, but in this enterprise all available chromatographic columns use feelings Condition, thus recommend reusable chromatographic column for user in whole enterprise.If there are such chromatographic column, then will be such Chromatographic column recommends user, thus recommended users use once used reusable chromatographic column, with as far as possible as far as possible Ground improves the utilization ratio of every root chromatogram column.

Alternatively, central database server 501 can also be undertaken by the arbitrary instrument of organization internal 11, inside this instrument 11 DBM 111 undertake the role of central database 102.Additionally, remaining variation pattern of instrument such as chromatographic column management Module 114, DBM 111 and isolate and purify the software and hardware control system of module 112 and can be integrated in a high-performance In embedded software hardware system or independent software and hardware system.Further, the software control procedure in instrument 11 is permissible It is integrated in a computer program, realize to DBM 111, isolate and purify module 112, chromatographic column management module 114 Operation with pylon module 113 and control.

Those skilled in the art will further appreciate that, the various illustrative to describe in conjunction with the embodiments described herein Logic plate, module, circuit and algorithm steps can achieve as electronic hardware, computer software or combination of the two.For clear Chu ground explains this interchangeability of hardware and software, various illustrative components, frame, module, circuit and step be above with Its functional form makees vague generalization description.Such feature be implemented as hardware or software depend on concrete application and Put on the design constraint of total system.Technical staff can be realized described for every kind of application-specific with different modes Feature, but such realize decision-making and should not be interpreted to lead to departing from the scope of the present invention.

General place can be used in conjunction with the various illustrative logic plates of presently disclosed embodiment description, module and circuit Reason device, digital signal processor (DSP), special IC (ASIC), field programmable gate array (FPGA) or other can be compiled Journey logical device, discrete door or transistor logic, discrete nextport hardware component NextPort or its be designed to carry out function described herein Any combinations are realizing or to execute.General processor can be microprocessor, but in alternative, this processor can be appointed What conventional processor, controller, microcontroller or state machine.Processor is also implemented as the combination of computing device, example Such as the combining of DSP and microprocessor, the one or more microprocessors that multi-microprocessor is cooperated with DSP core or any its His such configuration.

The step of the method in conjunction with embodiment disclosed herein description or algorithm can be embodied directly in hardware, in by processor Embody in the software module of execution or in combination of the two.Software module can reside in RAM memory, flash memory, ROM deposit Reservoir, eprom memory, eeprom memory, depositor, hard disk, removable disk, CD-ROM or known in the art appointing In the storage medium of what other forms.Exemplary storage medium is coupled to processor so that this processor can be from/to this storage Medium reads and write information.In alternative, storage medium can be integrated into processor.Processor and storage medium can Reside in ASIC.ASIC can reside in user terminal.In alternative, processor and storage medium can be used as discrete sets Part is resident in the user terminal.

In one or more exemplary embodiments, described function can be in hardware, software, firmware or its any combinations Middle realization.If being embodied as computer program in software, each function can be used as the instruction of one or more bars or generation Code storage on a computer-readable medium or mat its transmitted.Computer-readable medium includes computer-readable storage medium and communication Both media, it includes any medium facilitating computer program to shift from one place to another.Storage medium can be can quilt Any usable medium that computer accesses.Non-limiting as an example, such computer-readable medium may include RAM, ROM, EEPROM, CD-ROM or other optical disc storage, disk storage or other magnetic storage apparatus or can be used to carry or store instruction Or the desirable program code of data structure form and any other medium that can be accessed by a computer.Any connection is also by by rights Referred to as computer-readable medium.For example, if software is using coaxial cable, fiber optic cables, twisted-pair feeder, digital subscriber line Or the wireless technology of such as infrared, radio and microwave etc passes from web site, server or other remote source (DSL) Send, then this coaxial cable, fiber optic cables, twisted-pair feeder, DSL or such as infrared, radio and microwave etc is wireless Technology is just included among the definition of medium.Disk (disk) and dish (disc) include compact disc as used herein (CD), laser disc, laser disc, digital versatile disc (DVD), floppy disk and blu-ray disc, which disk (disk) is often reproduced in the way of magnetic Data, and dish (disc) laser reproduce data optically.Combinations of the above also should be included in computer-readable medium In the range of.

Of this disclosure being previously described is provided to be for so that any person skilled in the art all can make or use this public affairs Open.Various modification of this disclosure all will be apparent from for a person skilled in the art, and as defined herein general Suitable principle can be applied to the spirit or scope without departing from the disclosure for other variants.Thus, the disclosure is not intended to be limited Due to example described herein and design, but should be awarded and principle disclosed herein and novel features phase one The widest scope causing.

Claims

1. a kind of chromatograph, for isolating and purifying of performance objective chemical combination objects system, described chromatograph includes DBM, divides From purification blocks and chromatographic column management module, wherein

Described DBM, for storing chromatograph column information, described chromatograph column information at least includes the use information of chromatographic column；

Described isolate and purify module, for executing and generating the cleaning of the separation purifying technique of target compound system, chromatographic column What regeneration preserved flow process and chromatographic column scraps disposal process；

Described chromatographic column management module, further includes：

Matching unit, for DBM and the networking described in information retrieval of the target compound system based on user input Other DBMs in chromatographic column use information to recommend reusable chromatographic column to user, and/or be based on The information of the target compound system of user input recommends suitable New GC column to user, and the chromatograph selected based on user Post retrieves the application message of the chromatographic column of the same model of coupling for user's selection from central database；And

Database manipulation unit, for each target compound system isolate and purify end after update described DBM The use information of the chromatographic column of middle storage.

If 2. chromatograph as claimed in claim 1 is it is characterised in that retrieve reusable chromatographic column, described Join unit and preferentially recommend reusable chromatographic column to user, and if not retrieving reusable chromatographic column, institute State matching unit and recommend suitable New GC column to user, so that user selects；And/or

Reusable chromatographic column includes once being used for separating the chromatographic column of same or analogous target compound system, its Middle by user oneself once used for separate same or analogous target compound system chromatographic column by priority match With recommend this user；And/or

The use information of one root chromatogram column include following at least one：The whether used use state information of this chromatographic column, tired Meter the information of target compound system isolating and purifying each time and target compound system separation purifying technique information with And operate this time user profile isolating and purifying, the bullets information isolating and purifying every time, this accumulative chromatographic column to use Number information, this chromatograph column separating purification terminate after cleaning preserve the information of technological process, this chromatographic column scrap disposal Judgement information that whether information, this chromatographic column can be continuing with and the positional information that described chromatographic column is deposited.

3. chromatograph as claimed in claim 1 is it is characterised in that a kind of application message of the chromatographic column of model includes described type Number the using method information of one or more target compound system of chromatograph column separating purification set, wherein, using method Information is classified according to the information of different target compound systems, and each using method information has corresponding assessment Efficiency, in the application message of the chromatographic column of the same model mated, the using method information of same category is recommended to user.

4. chromatograph as claimed in claim 3 is it is characterised in that the assessment of the using method information of the same category of chromatographic column Efficiency is at least determined by following parameter：The efficiency of separation purifying technique and actual reusable number of times and chromatographic column cleaning The cost of regeneration, the efficiency of wherein separation purifying technique includes the response rate of target compound, Material Cost and time cost； And/or

Using method information includes the information of target compound system, separation purifying technique information or is used for obtaining this and isolates and purifies The information of technique information, isolate and purify the technological process information that the chromatographic column cleaning and regeneration after end preserves, the scrapping of chromatographic column Disposal information, and this model one or more target compound system of chromatograph column separating purification when reality repeatable The number information using；And/or

Described chromatographic column management module also includes analytic unit, described isolate and purify module performance objective chemical combination objects system point After purifying process, if institute can not be continuing with using chromatographic column, described analytic unit is from described DBM and connection The user with regard to used chromatographic column is extracted in use information with regard to used chromatographic column in other DBMs of net Method information, described database manipulation unit is authorized based on user and uploads extracted using method information to described central database To update the application message of the chromatographic column of the model of used chromatographic column.

5. chromatograph as claimed in claim 4 is it is characterised in that described analytic unit enters to the using method information extracted Row assessment and analysis, only when assessment efficiency is better than the using method information of the same category of the chromatographic column of existing same model When, described database manipulation unit ability is authorized based on user and uploads extracted using method information.

6. chromatograph as claimed in claim 3 is it is characterised in that described using method information includes target compound system Information and associated separation purifying technique information, described isolate and purify the chromatographic column that module selected using user according to pushing away Separation purifying technique information in the using method information recommended or according to self-designed separation purifying technique performance objective The separation purifying technique of compound system.

7. chromatograph as claimed in claim 6 is it is characterised in that the described module performance objective chemical combination objects system of isolating and purifying After separation purifying technique, generate the separation purifying technique information that this isolates and purifies, described database manipulation unit is based on new The separation purifying technique information generating in described DBM the newly-increased use information of chromatographic column with regard to being used or The use information of the existing chromatographic column with regard to being used is updated.

8. chromatograph as claimed in claim 6 is it is characterised in that after described using method information also includes isolating and purifying end The technological process information that preserves of chromatographic column cleaning and regeneration, described isolate and purify the separation in performance objective chemical combination objects system for the module After purifying process, if the chromatographic column being used can be continuing with, the described module that isolates and purifies is according to the using method recommended The technological process information that chromatographic column cleaning and regeneration in information preserves flows to execute the cleaning and regeneration to used chromatographic column and to preserve Journey；And/or

What described using method information also included chromatographic column scraps disposal information, and the described module that isolates and purifies is in performance objective chemical combination After the separation purifying technique of objects system, if the chromatographic column being used can not be continuing with, described isolate and purify module according to Chromatographic column in the using method information recommended scrap disposal information come to execute to scrap disposal process using chromatographic column； And/or

Described chromatographic column management module also includes analytic unit, isolates and purifies dividing of module performance objective chemical combination objects system described After purifying process, the use information based on the chromatographic column being used for the described analytic unit or user setup judge currently used Chromatographic column whether be continuing with, if user setup instruction does not need to be carried out to regenerate flow process or is expected according to use information The cost of cleaning and regeneration reuses the cost of saving again more than chromatographic column, then judge that used chromatographic column does not continue to make With.

9. chromatograph as claimed in claim 8 is it is characterised in that described isolate and purify module in the cleaning executing chromatographic column again After raw preservation flow process, generate the procedure information preserving with regard to this cleaning and regeneration, described database manipulation unit is based on new life The use information of the procedure information that the cleaning and regeneration becoming preserves newly-increased chromatographic column with regard to being used in described DBM Or the use information of the existing chromatographic column with regard to being used is updated；And/or

The described module that isolates and purifies, after disposal process is scrapped in execution, generates the information that this scraps disposal process, described number According to storehouse operating unit based on the newly-generated information scrapping disposal process in described DBM newly-increased with regard to being used The use information of the chromatographic column or use information of the existing chromatographic column with regard to being used is updated.

10. chromatograph as claimed in claim 1 is it is characterised in that described DBM also stores user profile, described use Family information includes the number information of chromatographic column and the user account information of user's use, and user is often using a chromatographic column, described Database manipulation unit according to the different situations using new chromatographic column or reusable old chromatographic column, accordingly Increase or update the number information using this chromatographic column of this user newly and the accounts information of this user is updated accordingly Operation.

A kind of 11. methods being applied to chromatographic reuse chromatographic column, methods described includes：

The information of the target compound system of receiving user's input；

Other numbers of chromatographic data base and networking described in information retrieval based on the target compound system of user input According to the chromatographic column in storehouse use information to recommend reusable chromatographic column, and/or the mesh based on user input to user The information of mark chemical combination objects system recommends suitable New GC column to user；

Retrieved from central database based on the chromatographic column that user selectes the same model of coupling chromatographic column application message with Recommend user；

The chromatographic column selected using user and target compound system being isolated and purified with reference to the application message mated； And

Target compound system isolate and purify end after update in described chromatographic data base the making of chromatographic column of storage Use information.

If 12. methods as claimed in claim 11 are it is characterised in that retrieve reusable chromatographic column, preferentially to User recommends reusable chromatographic column, and if not retrieving reusable chromatographic column, to user's recommendation properly New GC column, for user select；And/or

Reusable chromatographic column includes once being used for separating the chromatographic column of same or analogous target compound system, During recommendation priority match and to user recommend by this user oneself once used for separate same or analogous targeted The chromatographic column of compound system；And/or

13. methods as claimed in claim 11 are it is characterised in that a kind of application message of the chromatographic column of model includes described type Number the using method information of one or more target compound system of chromatograph column separating purification set, wherein, using method Information is classified according to the information of different target compound systems, and each using method information has corresponding assessment Efficiency, described to user recommend reusable chromatographic column include：Recommend the chromatographic column of mated same model to user Application message in same category using method information.

14. methods as claimed in claim 13 are it is characterised in that the assessment of the using method information of the same category of chromatographic column Efficiency is at least determined by following parameter：The efficiency of separation purifying technique and actual reusable number of times and chromatographic column cleaning The cost of regeneration, the efficiency of wherein separation purifying technique includes the response rate of target compound, Material Cost and time cost； And/or

Methods described also includes：

After the separation purifying technique of performance objective chemical combination objects system, if institute can not be continuing with using chromatographic column, from described With regard to extracting in the use information of used chromatographic column in other chromatographic data bases of chromatographic data base and networking Using method information with regard to used chromatographic column；

Authorized based on user and upload extracted using method information to described central database to update used chromatographic column The application message of the chromatographic column of model.

15. methods as claimed in claim 14 are it is characterised in that also include：

The using method information extracted is estimated and analyzes,

When assessing the using method information of the same category that efficiency is better than the chromatographic column of existing same model, authorized based on user Upload extracted using method information.

16. methods as claimed in claim 13 are it is characterised in that described using method information includes target compound system Information and associated separation purifying technique information, described target compound system is carried out isolating and purifying including：

The chromatographic column selected using user is according to the separation purifying technique information in the using method information recommended or according to certainly The separation purifying technique of the separation purifying technique performance objective chemical combination objects system of oneself design.

17. methods as claimed in claim 16 are it is characterised in that also include：

After the separation purifying technique of performance objective chemical combination objects system, generate the separation purifying technique letter that this isolates and purifies Breath；And

Chromatographic column with regard to being used is increased newly in described chromatographic data base based on newly-generated separation purifying technique information Use information or the use information of the existing chromatographic column with regard to being used is updated.

18. methods as claimed in claim 16 are it is characterised in that after described using method information also includes isolating and purifying end The technological process information that preserves of chromatographic column cleaning and regeneration, described target compound system is carried out isolating and purifying also including：

After the separation purifying technique of performance objective chemical combination objects system, if the chromatographic column being used can be continuing with, basis The technological process information that chromatographic column cleaning and regeneration in the using method information recommended preserves is executing to used chromatographic column Cleaning and regeneration preserves flow process；And/or

What described using method information also included chromatographic column scraps disposal information, described target compound system is carried out separate pure Change and also include：

After the separation purifying technique of performance objective chemical combination objects system, if the chromatographic column being used can not be continuing with, root According to recommend using method information in chromatographic column scrap disposal information to execute to using chromatographic column scrap disposal stream Journey；And/or

After methods described is additionally included in the separation purifying technique of performance objective chemical combination objects system, based on the chromatographic column being used Use information or user setup judge whether currently used chromatographic column is continuing with, if user setup instruction does not need to carry out clearly The cost washed regeneration flow process or reuse saving according to the cost that use information is expected cleaning and regeneration more than chromatographic column again, Then judge that used chromatographic column does not continue to use.

19. methods as claimed in claim 18 are it is characterised in that methods described also includes：

After the cleaning and regeneration of execution chromatographic column preserves flow process, generate the procedure information preserving with regard to this cleaning and regeneration, with And

The procedure information that preserved based on newly-generated cleaning and regeneration in described chromatographic data base newly-increased with regard to being used The use information of the chromatographic column or use information of the existing chromatographic column with regard to being used is updated；And/or

Methods described also includes：

After disposal process is scrapped in execution, generate the information that this scraps disposal process, and

Chromatograph with regard to being used is increased newly in described chromatographic data base based on the newly-generated information scrapping disposal process The use information of the post or use information of the existing chromatographic column with regard to being used is updated.

20. methods as claimed in claim 11 are it is characterised in that also include：

User often using a chromatographic column, according to using new chromatographic column or reusable old chromatographic column not Same situation, correspondingly increases or updates the number information using this chromatographic column of this user newly simultaneously in described chromatographic data base Operation is updated accordingly to the accounts information of this user.