WO2023157887A1 - Dispositif d'évaluation de composant, procédé d'évaluation de composant et programme - Google Patents

Dispositif d'évaluation de composant, procédé d'évaluation de composant et programme Download PDF

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Publication number
WO2023157887A1
WO2023157887A1 PCT/JP2023/005299 JP2023005299W WO2023157887A1 WO 2023157887 A1 WO2023157887 A1 WO 2023157887A1 JP 2023005299 W JP2023005299 W JP 2023005299W WO 2023157887 A1 WO2023157887 A1 WO 2023157887A1
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Prior art keywords
degree
component
variation
evaluation value
evaluation
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PCT/JP2023/005299
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English (en)
Japanese (ja)
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由佳 ▲高▼瀬
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株式会社アイシン
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Publication of WO2023157887A1 publication Critical patent/WO2023157887A1/fr

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    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N27/00—Investigating or analysing materials by the use of electric, electrochemical, or magnetic means
    • G01N27/62—Investigating or analysing materials by the use of electric, electrochemical, or magnetic means by investigating the ionisation of gases, e.g. aerosols; by investigating electric discharges, e.g. emission of cathode
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N30/00—Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
    • G01N30/02—Column chromatography
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N30/00—Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
    • G01N30/02—Column chromatography
    • G01N30/86—Signal analysis
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N30/00—Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
    • G01N30/02—Column chromatography
    • G01N30/88—Integrated analysis systems specially adapted therefor, not covered by a single one of the groups G01N30/04 - G01N30/86

Definitions

  • the present invention relates to an ingredient evaluation device, an ingredient evaluation method, and a program.
  • gas chromatography analysis results which are capable of qualitative and quantitative analysis of components contained in samples, for the production of fragrances, the detection of harmful gases, etc.
  • a component contained in a sample for example, indoor air, etc.
  • a predetermined event for example, smoking indoors
  • the presence or absence of the specified component is determined in advance.
  • components corresponding to various events can be identified by using the analysis results of gas chromatography. Relevance needs to be assessed.
  • the problem to be solved by the embodiments of the present invention is to provide a component evaluation device, a component evaluation method, and a program that can generate useful information indicating the relationship between the component and the event detected by gas chromatography. .
  • a component evaluation apparatus as an embodiment of the present invention includes an acquisition unit that acquires gas chromatography analysis results including qualitative values and quantitative values of components contained in a sample, and one event based on a plurality of analysis results. a computing unit that calculates the degree of variability in quantitative values of common components commonly contained in a plurality of samples, and calculates an evaluation value that indicates the degree of relevance between the common component and the event based on the degree of variability; an output unit for outputting a value.
  • the evaluation value may increase as the average value of the quantitative values of common components among a plurality of samples increases, and may increase as the degree of variation decreases.
  • calculation unit calculates the following formula (1 ) may be used to calculate the evaluation value.
  • E A 2 /S (1)
  • a component evaluation method as another embodiment of the present invention includes the steps of obtaining gas chromatography analysis results including qualitative values and quantitative values of components contained in a sample, and one event based on a plurality of analysis results.
  • a step of calculating the degree of variation in the quantitative value of a common component commonly contained in a plurality of samples corresponding to and a step of calculating an evaluation value indicating the degree of relevance between the common component and the event based on the degree of variation and a step of outputting the evaluation value.
  • a program as another embodiment of the present invention provides a computer with a process of acquiring gas chromatography analysis results including qualitative values and quantitative values of components contained in a sample, and one analysis result based on a plurality of analysis results.
  • a process and a process of outputting an evaluation value are executed.
  • FIG. 1 is a block diagram showing an example of the configuration of the component evaluation system of the embodiment.
  • FIG. 2 is a block diagram illustrating an example of the hardware configuration of the component evaluation device according to the embodiment;
  • FIG. 3 is a block diagram illustrating an example of the functional configuration of the component evaluation device of the embodiment;
  • FIG. 4 is a diagram showing an example of analysis results and component evaluation information according to the embodiment.
  • FIG. 5 is a diagram illustrating an example of calculating an evaluation value according to the embodiment;
  • FIG. 6 is a flow chart showing an example of processing in the component evaluation device of the embodiment.
  • Exemplary embodiments of the present invention are disclosed below.
  • the configurations of the embodiments shown below and the actions, results, and effects brought about by the configurations are examples.
  • the present invention can be realized by configurations other than those disclosed in the following embodiments, and at least one of various effects and derivative effects based on the basic configuration can be obtained.
  • FIG. 1 is a block diagram showing an example of the configuration of the component evaluation system 1 of the embodiment.
  • a component evaluation system 1 includes a gas chromatograph (GC) 11 and a component evaluation device 12 .
  • GC gas chromatograph
  • the gas chromatograph 11 is a device that performs gas chromatography, which is a method of analyzing components contained in samples.
  • the gas chromatograph 11 is capable of qualitative analysis and quantitative analysis of the components contained in the sample, and the qualitative values (retention time, etc.) corresponding to the component type and the quantitative values (signal intensity, etc.) corresponding to the content of the component. for each sample.
  • samples corresponding to predetermined events are analyzed.
  • An event is the situation under which a sample is taken, which may be, for example, smoking, noxious gas generation, malodor generation, and the like.
  • the component evaluation device 12 generates an evaluation value regarding the relationship between a common component commonly contained in a plurality of samples corresponding to one event and the event, based on a plurality of analysis results generated by the gas chromatograph 11. It is an information processing device that performs processing for
  • FIG. 2 is a block diagram showing an example of the hardware configuration of the component evaluation device 12 of the embodiment.
  • the component evaluation device 12 of this embodiment includes a CPU (Central Processing Unit) 21, a RAM (Random Access Memory) 22, a ROM (Read Only Memory) 23, a storage 24, a communication I/F (Interface) 25, and a user I/F 26. Prepare.
  • CPU Central Processing Unit
  • RAM Random Access Memory
  • ROM Read Only Memory
  • storage 24 a communication I/F (Interface) 25
  • user I/F 26 User I/F
  • the CPU 21 uses the RAM 22 as a work area according to programs stored in the ROM 23 and the storage 24 to execute predetermined arithmetic processing.
  • the storage 24 is a non-volatile memory such as SSD (Solid State Drive) or HDD (Hard Disk Drive), and it is possible to write and read programs, data necessary for the processing of the CPU 21, data generated by the processing of the CPU 21, etc. to
  • the communication I/F 25 is a device for establishing communication with electronic equipment such as the gas chromatograph 11 connected via a predetermined network.
  • the user I/F 26 is a device capable of receiving input from the user, outputting information to the user, etc., and may be, for example, a keyboard, pointing device, touch panel mechanism, display, speaker, microphone, and the like.
  • the CPU 21, RAM 22, ROM 23, storage 24, communication I/F 25 and user I/F 26 are connected via a data bus.
  • the configuration shown in FIG. 2 is an example, and the hardware configuration of the component evaluation device 12 is not limited to the above.
  • the component evaluation device 12 may be configured using, for example, FPGA (Field Programmable Gate Array), ASIC (Application Specific Integrated Circuit), etc., or may be a system in which a plurality of computers operate in cooperation. .
  • FIG. 3 is a block diagram showing an example of the functional configuration of the component evaluation device 12 of the embodiment.
  • the component evaluation device 12 of this embodiment has an acquisition unit 101 , a calculation unit 102 and an output unit 103 .
  • These functional components 101 to 103 can be realized, for example, by cooperation of hardware configuration and programs as shown in FIG. Note that these functional components 101 to 103 may be composed of a plurality of pieces of physically divided hardware.
  • the acquisition unit 101 acquires a plurality of analysis results generated by the gas chromatograph 11.
  • Each of the plurality of analysis results includes qualitative values and quantitative values of components contained in the sample.
  • a plurality of samples corresponding to one event are prepared, and a plurality of analysis results corresponding to each of the plurality of samples are obtained.
  • the calculation unit 102 calculates the degree of variation in quantitative values of common components commonly contained in multiple samples corresponding to one event. Further, the calculation unit 102 calculates an evaluation value indicating the degree of relevance between the common component and the event based on the degree of variation.
  • the evaluation value E is expressed by the following formula (1).
  • the standard deviation S corresponds to an example of the degree of variation.
  • the output unit 103 outputs the evaluation value calculated by the calculation unit 102 .
  • evaluation values There are various output formats for evaluation values, but for example, information in which evaluation values are determined for each of a plurality of common components, information in which each common component is ranked according to the degree of relevance to the event, etc. may be output.
  • methods of using evaluation values for example, identification of components (such as nicotine) that are highly related to a predetermined event (such as when smoking), sensor based on the identification result It can be used for the development of sensors capable of detecting high-precision components with high accuracy.
  • FIG. 4 is a diagram showing an example of analysis results D1 to D4 and component evaluation information I of the embodiment.
  • an example of generating component evaluation information I including evaluation values for each of five common components C1 to C5 based on four analysis results D1 to D4 is conceptually shown.
  • the horizontal axis of each analysis result D1 to D4 corresponds to RT (Retention Time) as a qualitative value
  • the vertical axis corresponds to intensity (signal intensity) as a quantitative value.
  • the horizontal axis of the component evaluation information I corresponds to RT as a qualitative value
  • the vertical axis corresponds to the evaluation value.
  • the four analysis results D1 to D4 are gas chromatography analysis results obtained when different conditions are applied to one event.
  • the analysis result D1 is the analysis result obtained when the brand A is smoked
  • the analysis result D2 is the analysis result obtained when the brand B is smoked
  • the analysis result D3 is the analysis result obtained when the brand C is smoked
  • the analysis result D4 is the analysis result obtained when the brand D is smoked.
  • each of the four brands A to D contains five common components C1 to C5, and the strength (content) of each common component C1 to C5 is different for each brand A to D.
  • the component evaluation information I indicates evaluation values for each of the five common components C1 to C5.
  • the evaluation value of this embodiment is based on the average value of the intensity of the common components C1 to C5 between the four analysis results D1 to D4 and the degree of variation in the intensity of the common components C1 to C5 between the four analysis results D1 to D4. calculated based on
  • FIG. 5 is a diagram showing an example of calculating an evaluation value according to the embodiment.
  • the evaluation value E of each common component C1 to C5 is the average value of the intensity between the four analysis results D1 to D4, and the standard deviation of the intensity between the four analysis results D1 to D4.
  • S it is calculated by the above formula (1).
  • the evaluation value E increases as the average value A increases, and increases as the standard deviation S decreases.
  • the common component for example, common component C2 that shows stable strength (content) even if the conditions (brands) are changed, the relationship with the event (during smoking) It is judged that the sex is relatively high.
  • a common component for example, common component C4 that exhibits a large intensity under certain conditions but has a large degree of variation in intensity as a whole is determined to have relatively low relevance to the event.
  • FIG. 6 is a flow chart showing an example of processing in the component evaluation device 12 of the embodiment.
  • the acquisition unit 101 acquires a plurality of analysis results D1 to D4 (S101)
  • the calculation unit 102 calculates the average value A of the intensities of the common components C1 to C5 (S102), and calculates the standard deviation S of the intensities. (S103).
  • the calculation unit 102 calculates the evaluation value E of each of the common components C1 to C5 using the above formula (1), etc., based on the calculated average value A and standard deviation S (S104).
  • the output unit 103 outputs the calculated evaluation value E in a predetermined format (for example, as the component evaluation information I described above) (S105).
  • the program for realizing the above functions is a file in a format that can be installed in the component evaluation device 12 or in an executable format, and It may be provided by being recorded on a computer-readable recording medium such as.
  • the program may be stored on a computer connected to a network such as the Internet, and provided by being downloaded via the network.
  • the program may be configured to be provided or distributed via a network such as the Internet.

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  • Chemical & Material Sciences (AREA)
  • General Health & Medical Sciences (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Health & Medical Sciences (AREA)
  • Analytical Chemistry (AREA)
  • Biochemistry (AREA)
  • Physics & Mathematics (AREA)
  • General Physics & Mathematics (AREA)
  • Immunology (AREA)
  • Pathology (AREA)
  • Chemical Kinetics & Catalysis (AREA)
  • Electrochemistry (AREA)
  • Sampling And Sample Adjustment (AREA)

Abstract

Ce dispositif d'évaluation de composant comprend : une unité d'acquisition servant à acquérir un résultat d'analyse de chromatographie en phase gazeuse comprenant des valeurs qualitatives et quantitatives de composants contenus dans un échantillon ; une unité de calcul servant à calculer, sur la base d'une pluralité de résultats d'analyse, le degré de variation de la valeur quantitative d'un composant commun contenu en commun dans une pluralité d'échantillons correspondant à un événement, et à calculer, sur la base du degré de variation, une valeur d'évaluation indiquant le degré d'association entre le composant commun et l'événement ; et une unité de sortie servant à générer la valeur d'évaluation.
PCT/JP2023/005299 2022-02-17 2023-02-15 Dispositif d'évaluation de composant, procédé d'évaluation de composant et programme WO2023157887A1 (fr)

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JP2022-022867 2022-02-17
JP2022022867A JP2023119798A (ja) 2022-02-17 2022-02-17 成分評価装置、成分評価方法及びプログラム

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Citations (2)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JPH0835961A (ja) * 1994-01-27 1996-02-06 Wyatt Technol Corp クロマトグラフィ法で分離したサンプルの各スライスにおける測定に関連する変数の標準偏差を決定する方法
JP2016180599A (ja) * 2015-03-23 2016-10-13 株式会社島津製作所 データ解析装置

Patent Citations (2)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JPH0835961A (ja) * 1994-01-27 1996-02-06 Wyatt Technol Corp クロマトグラフィ法で分離したサンプルの各スライスにおける測定に関連する変数の標準偏差を決定する方法
JP2016180599A (ja) * 2015-03-23 2016-10-13 株式会社島津製作所 データ解析装置

Non-Patent Citations (2)

* Cited by examiner, † Cited by third party
Title
BOGDANOV M., MATSON W. R., WANG L., MATSON T., SAUNDERS-PULLMAN R., BRESSMAN S. S., BEAL M. F.: "Metabolomic profiling to develop blood biomarkers for Parkinson's disease", BRAIN, OXFORD UNIVERSITY PRESS, GB, vol. 131, no. 2, 1 February 2008 (2008-02-01), GB , pages 389 - 396, XP093086458, ISSN: 0006-8950, DOI: 10.1093/brain/awm304 *
HIDEYUKI TANAKA: "Statistical Methods for Data Evaluation -Using Analysis of Variance-", BUNSEKI, NIHON BUNSEKI KAGAKUKAI, TOKYO, JP, 1 April 2010 (2010-04-01), JP , pages 168 - 174, XP009538480, ISSN: 0386-2178 *

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