Material selection method, method for manufacturing sensor module, and molecule detection method

Abstract

This material selection method is for selecting N (N is an integer of 1 or greater) materials, which are the materials used for each of N sensors that detect molecules. In the material selection method, N material is selected on the basis of: (i) respective distances Dn (n is N integers from 1 to N) between corresponding combinations of dissolution parameters Pcn of N materials and dissolution parameters Psn of N molecules corresponding to the N materials on a one-to-one basis in a theoretical space of dissolution parameters of two or more dimensions; and (ii) respective working radii Rcn of the N materials in the theoretical space.

Description

Material selection method, sensor module manufacturing method, and molecular detection method

[0001] This disclosure relates to a material selection method, a sensor module manufacturing method, and a molecular detection method.

[0002] Sensors that detect molecules using materials that adsorb molecules are known. Such sensors can detect molecules because the electrical or physical properties of the sensor change as the material adsorbs molecules. The detection results from such sensors can be used, for example, in molecular analysis, such as quantitative analysis or identification.

[0003] Patent Document 1 discloses a substance detection sensor for detecting molecules. The substance detection sensor described in Patent Document 1 includes a conductive layer, and when a molecule to be detected comes into contact with the conductive layer, the conductive layer swells. As a result, the electrical resistance of the conductive layer changes, and the molecule can be detected by measuring the change in the electrical resistance of the conductive layer.

[0004] International Publication No. 2008 / 084582

[0005] When the results of molecular detection are used for analysis, it is necessary for the molecular detection sensor to efficiently detect the molecules. Patent Document 1 discloses the formation of multiple conductive layers using different materials, but it does not disclose the selection of materials for forming the conductive layers.

[0006] Therefore, this disclosure provides a material selection method and the like that can select a material for a sensor capable of efficiently detecting molecules.

[0007] A material selection method according to one aspect of the present disclosure is a material selection method for selecting N materials to be used in each of N sensors (where N is an integer of 1 or more) that detect molecules, wherein (i) the distance D between each corresponding combination of the dissolution parameters of the N materials and the dissolution parameters of N molecules that correspond one-to-one to the N materials in a theoretical space of dissolution parameters of two or more dimensions ｎ (n is an integer from 1 to N), and (ii) the radius of action Rc of each of the N materials in the theoretical space. ｎBased on this, the N materials are selected.

[0008] A method for manufacturing a sensor module according to one aspect of this disclosure includes (i) the distance D between each corresponding combination of dissolution parameters of N materials (where N is an integer of 1 or more) and the dissolution parameters of N molecules that correspond one-to-one to the N materials in a theoretical space of dissolution parameters of two or more dimensions. ｎ (n is an integer from 1 to N), and (ii) the radius of action Rc of each of the N materials in the theoretical space. ｎ Based on this, N materials are selected, and a sensor module containing N sensors using the selected N materials is manufactured.

[0009] A molecular detection method according to one aspect of this disclosure includes (i) the distance D between each corresponding combination of the dissolution parameters of N materials (where N is an integer of 1 or more) and the dissolution parameters of N molecules that correspond one-to-one to the N materials in a theoretical space of dissolution parameters of two or more dimensions. ｎ (n is an integer from 1 to N), and (ii) the radius of action Rc of each of the N materials in the theoretical space. ｎ Based on this, N materials are selected, and molecules are detected by N sensors using the selected N materials.

[0010] This disclosure provides a material selection method and the like that can select a material for a sensor capable of efficiently detecting molecules.

[0011] Figure 1 is a top view showing an example of a sensor according to the embodiment. Figure 2 is a cross-sectional view showing an example of the configuration of the sensitive membrane of the sensor according to the embodiment. Figure 3 is a top view showing an example of a sensor module according to the embodiment. Figure 4 is a flowchart of a material selection method for selecting a material to be used in the sensor according to the embodiment. Figure 5 is a diagram showing an example of the relationship between material properties and molecular properties in the theoretical space of dissolution parameters. Figure 6 is a diagram showing an example of the relationship between material properties and molecular properties for two corresponding combinations in the theoretical space of dissolution parameters. Figure 7 is a diagram showing an example of the relationship between material properties and molecular properties for three corresponding combinations in the theoretical space of dissolution parameters. Figure 8 is a diagram showing an example of the relationship between material properties and molecular properties for five corresponding combinations in the theoretical space of dissolution parameters. Figure 9 is a diagram showing another example of the relationship between material properties and molecular properties for five corresponding combinations in the theoretical space of dissolution parameters. Figure 10 is a diagram showing another example of the relationship between material properties and molecular properties in the theoretical space of dissolution parameters. Figure 11 is a diagram showing yet another example of the relationship between material properties and molecular properties in the theoretical space of dissolution parameters. Figure 12 is a flowchart of a method for manufacturing a sensor module according to the embodiment. Figure 13 is a flowchart of the molecular detection method according to the embodiment.

[0012] (Summary of this disclosure) Below is an overview of this disclosure, including examples of a material selection method, a sensor module manufacturing method, and a molecular detection method related to this disclosure.

[0013] For example, a material selection method according to a first aspect of this disclosure is a material selection method for selecting N materials to be used in each of N sensors (where N is an integer of 1 or more) that detect molecules, wherein (i) the distance D between each corresponding combination of the dissolution parameters of the N materials and the dissolution parameters of N molecules that correspond one-to-one to the N materials in a theoretical space of dissolution parameters of two or more dimensions ｎ (n is an integer from 1 to N), and (ii) the radius of action Rc of each of the N materials in the theoretical space. ｎbased on, select the N pieces of materials.

[0014] Accordingly, in the theoretical space of solubility parameters, an action radius Rc having a predetermined relationship with respect to the solubility parameters of N molecules ｎ N pieces of materials having the above can be selected. Since the action radius of a material is a value indicating the range of molecules having affinity, N pieces of materials that can efficiently detect N molecules can be selected and used for N sensors. Further, a difference in detection results obtained by the N sensors is likely to occur between molecules other than the N molecules and the N molecules, so that the analysis accuracy can be improved when molecules are analyzed using the N sensors.

[0015] Further, for example, the material selection method according to the second aspect of the present disclosure is the material selection method according to the first aspect, wherein D ｎ ≦ Rc ｎ selecting the N pieces of materials that satisfy the above condition.

[0016] Accordingly, in the theoretical space, the solubility parameter Ps of the molecule ｎ is within the range of the action radius Rc of the material ｎ , so molecules are easily adsorbed to the material, and molecules can be efficiently detected by N sensors using N pieces of materials.

[0017] Further, for example, the material selection method according to the third aspect of the present disclosure is the material selection method according to the first aspect or the second aspect, wherein N is 2 or more, the types of the N pieces of materials are different from each other, and the types of the N molecules are different from each other.

[0018] This makes it possible to detect a wide variety of molecules by two or more sensors using two or more pieces of materials.

[0019] Further, for example, the material selection method according to the fourth aspect of the present disclosure is the material selection method according to any one of the first to third aspects, wherein N is 3 or more, the types of the N pieces of materials are different from each other, the types of the N molecules are different from each other, in the theoretical space, let Dc1 be the distance between the solubility parameters of two materials in a first combination of two materials among the N pieces of materials, and let the action radius of the two materials in the theoretical space be Rc ｉand Rc ｊ (i ≠ j, and i and j are integers from 1 to N) and Dc2 is the distance between the dissolution parameters of two materials in a second combination of two of the N materials in the theoretical space that is different from the first combination, and Rc is the radius of action of the two materials in the theoretical space. ｋ and Rc ｇ When k≠g, k≠i, k≠j, and k and g are integers from 1 to N, Dc1≦Rc ｉ +Rc ｊ , and Dc2 > Rc ｋ +Rc ｇ Select the N materials that further satisfy the condition.

[0020] This increases the variety of molecular detection patterns using N sensors made from N materials when detecting molecules other than N molecules, thereby improving the accuracy of analysis when analyzing molecules using N sensors.

[0021] Furthermore, for example, a material selection method according to a fifth aspect of this disclosure is a material selection method according to any one of the first to fourth aspects, wherein the dimensions of the theoretical space are determined based on the performance required for the device using the N sensors.

[0022] This allows for the selection of N materials suitable for a device that uses N sensors.

[0023] Furthermore, for example, the material selection method according to the sixth aspect of this disclosure is a material selection method according to any one of the first to fifth aspects, and further, the radius of action Rs of each of the N molecules in the theoretical space ｎ Based on this, the N materials are selected.

[0024] This results in the molecular radius of action Rs ｎ This allows for the selection of materials while taking these factors into consideration, enabling a more flexible selection of N materials.

[0025] Furthermore, for example, the material selection method relating to the seventh aspect of this disclosure is the material selection method relating to the sixth aspect, D ｎ ≤ Rc ｎ +Rsｎ Select the N materials that satisfy the following conditions.

[0026] This allows the molecular radius of action Rs in theoretical space to be determined. ｎ Range and radius of action Rc of the material ｎ Because the ranges overlap, interactions can occur between the material and the molecules, allowing for efficient detection of molecules using N sensors made from N materials.

[0027] Furthermore, for example, the method for manufacturing a sensor module according to the eighth aspect of this disclosure includes (i) the distance D between each corresponding combination of dissolution parameters of N materials (where N is an integer of 1 or more) and dissolution parameters of N molecules that correspond one-to-one to the N materials in a theoretical space of dissolution parameters of two or more dimensions. ｎ (n is an integer from 1 to N), and (ii) the radius of action Rc of each of the N materials in the theoretical space. ｎ Based on this, N materials are selected, and a sensor module containing N sensors using the selected N materials is manufactured.

[0028] This makes it possible to select N materials that can efficiently detect N molecules, similar to the material selection method according to the first embodiment, and to manufacture a sensor module containing N sensors using the selected N materials.

[0029] Furthermore, for example, the molecular detection method according to the ninth aspect of this disclosure includes (i) the distance D between each corresponding combination of the dissolution parameters of N materials (where N is an integer of 1 or more) and the dissolution parameters of N molecules that correspond one-to-one to the N materials in a theoretical space of dissolution parameters of two or more dimensions. ｎ (n is an integer from 1 to N), and (ii) the radius of action Rc of each of the N materials in the theoretical space. ｎ Based on this, N materials are selected, and molecules are detected by N sensors using the selected N materials.

[0030] This allows for the selection of N materials that can efficiently detect N molecules, similar to the material selection method according to the first embodiment, and enables the detection of molecules using N sensors made from the selected N materials.

[0031] The embodiments will be described in detail below, with reference to the drawings as appropriate. The embodiments described below are all comprehensive or specific examples. The numerical values, shapes, materials, components, arrangement and connection configurations of components, steps, and the order of steps shown in the following embodiments are examples only and are not intended to limit the disclosure. Furthermore, any components in the following embodiments that are not described in an independent claim will be described as optional components.

[0032] Furthermore, in this specification, terms indicating relationships between elements such as parallelism, terms indicating the shape of elements, and numerical ranges do not represent only strict meanings, but also include substantially equivalent ranges, such as differences of a few percent.

[0033] Furthermore, the figures are not necessarily strictly accurate. In each figure, substantially identical components are denoted by the same reference numerals, and redundant explanations are omitted or simplified.

[0034] Furthermore, in this specification, ordinal numbers such as "first," "second," etc., do not mean the number or order of components unless otherwise specified, but are used to avoid confusion between similar components and to distinguish them.

[0035] (Embodiment) [Configuration] First, the configuration of the sensor and sensor module according to this embodiment will be described.

[0036] Figure 1 is a top view showing an example of a sensor 10 according to this embodiment. Figure 2 is a cross-sectional view showing an example of the configuration of the sensitive membrane 11 of the sensor 10 according to this embodiment. In Figure 2, a cross-section of a part of the sensitive membrane 11 is shown. Figure 3 is a top view showing an example of a sensor module 20 according to this embodiment.

[0037] As shown in Figure 1, the sensor 10 according to this embodiment has a sensitive membrane 11 and a pair of electrodes 15 electrically connected to the sensitive membrane 11. The sensor 10 is, for example, a gas sensor that detects molecules present in a gas. The molecules may also be volatile organic compounds. The molecules detected by the sensor 10 may also be present in a liquid.

[0038] The pair of electrodes 15 are separated by a sensitive film 11. The sensor 10 shown in Figure 1 is an element whose electrical properties change in response to the adsorption of molecules onto the sensitive film 11 (more specifically, the adsorption material 12 described later). The sensitive film 11 is, for example, a sensitive member whose electrical properties change in response to the adsorption concentration of molecules.

[0039] As shown in Figure 2, the sensitive film 11 includes, for example, an adsorption material 12 which is an insulating material that adsorbs molecules to be detected, and a plurality of conductive particles 13 dispersed in the adsorption material 12. As the adsorption material 12 adsorbs molecules, the distance between the conductive particles 13 changes, and as a result, the electrical resistance of the sensitive film 11 between the pair of electrodes 15 changes. The signal corresponding to the electrical resistance of the sensitive film 11 of the sensor 10 is output, for example, as a voltage signal or a current signal via the pair of electrodes 15.

[0040] Examples of adsorbent materials 12 include polymer materials such as polyalkylene glycol resins, polyester resins, and silicone resins. However, the adsorbent material 12 is not limited to polymer materials and is not particularly restricted as long as it can adsorb the molecules to be detected. The adsorbent material 12 may also be low molecular weight compounds such as glycerols, nitriles, dicarboxylic acid monoesters, or aliphatic amines.

[0041] Multiple conductive particles 13 form a conductive network within the adsorbent material 12. The conductive particles 13 are not particularly limited as long as they are made of a conductive material having conductivity. Examples of conductive materials include carbon materials, conductive polymers, metallic materials, metal oxides, semiconductor materials, superconductors, and complex compounds. Furthermore, as long as a conductive network is formed within the adsorbent material 12, the sensitive film 11 may have conductive materials in shapes other than particles instead of conductive particles 13.

[0042] Furthermore, the sensor 10 is not particularly limited as long as it is a sensor whose electrical or physical properties change due to the adsorption of molecules onto the adsorption material 12, and various known sensors such as gas sensors can be used.

[0043] As shown in Figure 3, the sensor module 20 according to this embodiment includes a plurality of sensors 10 and a substrate 17. The detection results of the plurality of sensors 10 by the sensor module 20 are used, for example, for molecular identification.

[0044] In the example shown in Figure 3, the sensor module 20 contains four sensors 10, but the number of sensors 10 in the sensor module 20 is not particularly limited. The number of sensors 10 in the sensor module 20 may be one or more, and three or more. For example, the sensor module 20 may contain 16 sensors 10 arranged in a 4x4 grid.

[0045] The adsorption materials 12 of at least two of the multiple sensors 10 are made of different types of materials. If the adsorption materials 12 are resin materials, different types of materials mean, for example, that their compositional formulas are substantially different.

[0046] Multiple sensors 10 are provided on a substrate 17. The multiple sensors 10 are arranged in an array, for example, in a plan view of the substrate 17. The substrate 17 is, for example, a silicon substrate, but is not particularly limited. Measurement circuits (not shown) for acquiring signals indicating the electrical resistance of the sensitive film 11 may be formed on the substrate 17. In the example shown in Figure 3, the multiple sensors 10 are provided on one substrate 17, but they may be provided on multiple substrates 17. For example, one sensor 10 may be provided on each of the multiple substrates 17, and the multiple substrates 17 may be mounted on separate substrates.

[0047] [Material Selection Method] Next, a material selection method for selecting the material to be used in the sensor 10 according to this embodiment will be described.

[0048] Figure 4 is a flowchart of a material selection method for selecting materials to be used in the sensor 10 according to this embodiment. Figure 4 shows a material selection method when selecting N materials, each of which is used in N sensors 10. Here, N is an integer of 1 or more. The N sensors 10 are at least some of the multiple sensors 10 included in the sensor module 20. N may also be the number of multiple sensors 10 included in the sensor module 20. In addition, in the material selection method according to this embodiment, an adsorption material 12 that adsorbs molecules is selected as the material to be used in the sensor 10.

[0049] As shown in Figure 4, in the material selection method according to this embodiment, first, the dimensions of the theoretical space of the dissolution parameters used for material selection are determined (step S11). Here, the number of dimensions and the configuration of the dimensions are determined with respect to the dimensions of the theoretical space of the dissolution parameters. The theoretical space of the dissolution parameters used for material selection is two or more dimensions. In step S11, for example, the dimensions of the theoretical space of the dissolution parameters are determined based on the performance required for a device using N sensors 10. For example, if N sensors 10 are used in a device for analyzing gas, a three-dimensional theoretical space is used as a standard, and if high analytical accuracy is not required, it is determined to be two dimensions, and if higher analytical accuracy is required, it is determined to be four dimensions or more. Also, in step S11, either a two-dimensional or three-dimensional theoretical space of dissolution parameters may be selected based on the performance required for a device using N sensors 10. The dimensions of the theoretical space of dissolution parameters are composed of, for example, intrinsic physical properties such as the dispersion force of the material. In addition, the dimensions of the theoretical space of dissolution parameters may be composed of factors that can affect the detection results of molecules, such as humidity or temperature. For example, in step S11, if the humidity or temperature fluctuates in the environment in which the apparatus is used, the dimensions of the theoretical space may be determined such that the dimensions include the humidity or temperature at the time of molecular detection by the sensor 10.

[0050] Step S11 may be omitted, and a theoretical space of dissolution parameters of a predetermined dimension may be used for material selection. In this embodiment, a theoretical space of dissolution parameters of two or three dimensions may be used as the theoretical space of dissolution parameters of a predetermined dimension for material selection.

[0051] Next, the properties of one or more molecules to be detected by the sensor 10 are obtained in the theoretical space of the dissolution parameters (step S12). The properties of molecules in the theoretical space of the dissolution parameters can be obtained, for example, from a database or literature. Alternatively, the properties of molecules in the theoretical space can be determined experimentally. Furthermore, the properties of molecules in the theoretical space determined experimentally may be stored in a database.

[0052] The properties of the molecule obtained include the values ​​of the molecule's solubility parameters in theoretical space. The values ​​of the solubility parameters are the coordinates of the axes in each dimension of theoretical space. In the case of three-dimensional theoretical space, the solubility parameters are, for example, the Hansen solubility parameters, and consist of dispersion forces, dipole forces, and hydrogen bonding forces. In the case of two-dimensional theoretical space, the solubility parameters consist of, for example, dispersion forces and dipole forces. In the case of four-dimensional theoretical space, the solubility parameters consist of, for example, dispersion forces, dipole forces, hydrogen bonding forces, and temperature or humidity. In the case of four-dimensional theoretical space, the solubility parameters may consist of dispersion forces, dipole forces, temperature, and humidity.

[0053] In step S12, the molecular properties obtained may include the molecular radius of action in theoretical space. The radius of action in theoretical space is a value that indicates the range of substances that have affinity for a substance having a certain solubility parameter.

[0054] When the solubility parameter is the Hansen solubility parameter, the radius of action is the radius of the Hansen sphere determined by the Hansen sphere method. Here, we will explain how to experimentally determine the radius of action using the Hansen sphere method. In the Hansen sphere method, first, a substance is mixed with a solvent whose Hansen solubility parameter is known, and it is determined whether or not the substance dissolves. The Hansen solubility parameters of the solvents are then plotted in theoretical space. This operation is repeated using multiple types of solvents. In theoretical space, the largest sphere that includes the coordinates of the solvent in which the substance dissolved and does not include the coordinates of the solvent in which the substance did not dissolve is determined as the Hansen sphere. The center coordinates of the Hansen sphere become the Hansen solubility parameter of the substance. Therefore, when the solubility parameter is the Hansen solubility parameter, the radius of action and the solubility parameter of a molecule can be determined using the Hansen sphere method. Furthermore, even when the solubility parameter is a parameter other than the Hansen solubility parameter, the radius of action and the solubility parameter of a molecule can be determined in a similar manner to the Hansen sphere method, using a solvent whose solubility parameter is known.

[0055] Next, N materials are selected based on the distance between dissolution parameters in theoretical space and the radius of action in theoretical space (step S13). More specifically, in step S13, (i) the distance D between each corresponding combination of the dissolution parameters of the N materials in theoretical space and the dissolution parameters of the N molecules that correspond one-to-one with the N materials. ｎ , and (ii) the radius of action Rc of each of the N materials in theoretical space ｎ Based on this, N materials are selected. Here, n is an integer from 1 to N. That is, distance D ｎ The distance D between each of the N combinations of the dissolution parameters of the materials and the molecules is the distance between the N combinations of the dissolution parameters of the materials and the molecules. １ , D ２ ...D Ｎ This indicates the radius of action Rc ｎ The radius of action Rc of each of the N materials １ , Rc ２ ...Rc ＮThis indicates that the N molecules are at least a portion of the one or more molecules that the sensor 10 detects in step S12.

[0056] Figure 5 shows an example of the relationship between material properties and molecular properties in the theoretical space of dissolution parameters. Figure 5 shows a two-dimensional theoretical space of dissolution parameters with x1 and x2 axes. For clarity, Figure 5 and the diagrams of the theoretical space of dissolution parameters described later show a two-dimensional theoretical space of dissolution parameters. Unless otherwise specified, the following explanation will focus on examples using a two-dimensional theoretical space of dissolution parameters, but the same approach can be applied to theoretical spaces of dissolution parameters in three or more dimensions.

[0057] As shown in Figure 5, in step S13, for example, D ｎ ≤ Rc ｎ Select N materials that satisfy the following conditions. For example, obtain the dissolution parameters and radius of action of multiple candidate materials, and select D from among the multiple candidate materials. ｎ ≤ Rc ｎ Select N materials that satisfy the following condition. ｎ ≤ Rc ｎ If the following conditions are met, then in theoretical space, the molecular dissolution parameter Ps ｎ The radius of action of the material Rc ｎ Because the molecules are located within this range, they are more easily adsorbed onto the material, and the sensor 10 can efficiently detect them. Here, the range of the radius of action is the range within the distance of the radius of action from the dissolution parameter in theoretical space.

[0058] The distance between dissolution parameters in theoretical space is, for example, the Euclidean distance. In the two-dimensional theoretical space of dissolution parameters as shown in Figure 5, the dissolution parameter of the material is Pc ｎ (PC x 1) ｎ , PCx2 ｎ ) and set the molecular solubility parameter to Ps ｎ (PSX1 ｎ PSX2 ｎ ) If D ｎ = {(Pcx1 ｎ - Psx1ｎ ) ２ +(Pcx2 ｎ -Psx2 ｎ ) ２} １／２ This gives the above expression. Even in the case of a theoretical space of solubility parameters with three or more dimensions, if the distance between solubility parameters in the theoretical space is the Euclidean distance, it is the square root of the sum of squares of the differences between the coordinates in each dimension. That is, the distance D ｎ When extended to a theoretical space of M-dimensional solubility parameters, it is the square root of the sum of squares of the coordinate differences along the M axes of x1, x2, ..., xM. Specifically, let the solubility parameter of a material be Pc ｎ (Pcx1 ｎ , Pcx2 ｎ , ... PcxM ｎ ), and let the solubility parameter of a molecule be Ps ｎ (Psx1 ｎ , Psx2 ｎ , ... PsxM ｎ ), then D ｎ ={(Pcx1 ｎ -Psx1 ｎ ) ２ +(Pcx2 ｎ -Psx2 ｎ ) ２ +...(PcxM ｎ -PsxM ｎ ) ２} １／２ This is obtained.

[0059] Note that depending on the type of solubility parameter used, the distance between solubility parameters in the theoretical space may be a different distance from the square root of the sum of squares of the differences between the coordinates in each dimension. For example, when the solubility parameter is the Hansen solubility parameter, the distance between solubility parameters in the theoretical space is the so-called Hansen distance, which is the square root of the sum of four times the square of the difference in dispersion force coordinates, the square of the difference in dipole-dipole interaction force coordinates, and the square of the difference in hydrogen bonding force coordinates. For example, D ｎ ={4(Pcd ｎ -Psd ｎ ) ２ +(Pcp ｎ -Psp ｎ ) ２ +(Pch ｎ -Psh ｎ )２} １／２ is obtained. Here, Pcd ｎ and Psd ｎ are the dispersion forces of the material and the molecule, respectively. Further, Pcp ｎ and Psp ｎ are the dipole-dipole forces of the material and the molecule, respectively. Further, Pch ｎ and Psh ｎ are the hydrogen bonding forces of the material and the molecule, respectively.

[0060] Similar to the properties of molecules in the above-described theoretical space, the properties of a material in the theoretical space such as the solubility parameter and interaction radius can be obtained, for example, from a database, literature, or the like. Further, the properties of a material in the theoretical space can also be determined by experiment. Furthermore, the properties of a material in the theoretical space determined by experiment may be stored in a database. Similar to the solubility parameter and interaction radius of a molecule, the solubility parameter and interaction radius of a material can be determined by the above-described Hansen sphere method or a method equivalent to the Hansen sphere method. Note that when the solubility parameter and interaction radius of a material insoluble in a solvent are determined by experiment, the solubility parameter and interaction radius can be obtained by determining whether swelling, softening, cracking, dispersion, or the like occurs instead of determining whether the material is dissolved in the above-described method.

[0061] In the material selection method according to the present embodiment, N may be 2 or greater. In this case, the N materials are of different types from each other, and the N molecules are of different types from each other. This enables detection of a wide variety of molecules by two or more sensors 10 using two or more materials. FIGS. 6 to 9 are diagrams illustrating an example of the relationship between the properties of materials and the properties of molecules in corresponding combinations of N pieces in the theoretical space of solubility parameters. In FIG. 6, N=2; in FIG. 7, N=3; and in FIGS. 8 and 9, N=5.

[0062] As shown in FIGS. 6 to 9, when N is 2 or greater, in step S13, for example, for each of the N materials, D ｎ ≦ Rc ｎSelect N materials that satisfy the following condition. The N materials are selected one by one sequentially, for example. For example, when selecting the materials shown in Figures 6 and 7, with the two materials shown in Figure 6 already selected, D ３ ≤ Rc ３ The radius of action Rc of the two materials is such that the following conditions are met. １ and Rc ２ The solubility parameter Ps of molecules not located within the range ３ Radius of action Rc ３ Select materials that fall within the specified range. Alternatively, when selecting four or more materials, you may determine two or more pairs of molecules from two or more selected materials, and then combine these two or more pairs to select four or more materials.

[0063] Furthermore, as shown in Figures 6 to 9, in theoretical space, the distance between the dissolution parameters of molecules that do not correspond to a given material may be greater than the radius of action of that material. In other words, in theoretical space, for each of the N materials, the dissolution parameter of one molecule corresponding to the material may be located within the radius of action, while the dissolution parameters of the other molecules among the N molecules may be located outside the radius of action.

[0064] Furthermore, as shown in Figure 9, in step S13, when N is 3 or greater, when considering combinations of two materials from among the N materials, there may be combinations in which the ranges of the effective radii of the materials overlap and combinations in which the ranges of the effective radii of the materials do not overlap. Specifically, in theoretical space, let Dc1 be the distance between the dissolution parameters of the two materials in the first combination of two materials from among the N materials, and let Rc be the effective radii of the two materials in theoretical space. ｉ and Rc ｊ (i ≠ j, and i and j are integers from 1 to N). Also, in theoretical space, let Dc2 be the distance between the dissolution parameters of two materials in a second combination of two materials from the N materials, which is different from the first combination, and let Rc be the radius of action of these two materials in theoretical space. ｋ and Rc ｇ(k≠g, k≠i, k≠j, and k and g are integers from 1 to N). In this case, in step S13, Dc1≦Rc ｉ +Rc ｊ , and Dc2 > Rc ｋ +Rc ｇ You may select N more materials that satisfy the condition. This increases the variation in the molecular detection patterns by the N sensors 10 when detecting molecules other than the N molecules, and improves the accuracy of the analysis when analyzing molecules using the N sensors 10. In the example shown in Figure 9, for example, i is 3, j is 4, k is one of 1 to 5 other than 3 and 4, and g is one of 1 to 5 other than k.

[0065] Furthermore, in step S13, the radius of action Rs of each of the N molecules in theoretical space is determined. ｎ Based on this, N materials may be selected. As described above, n is an integer from 1 to N. That is, the radius of action Rs ｎ This is the radius of action Rs of each of the N molecules. １ , Rs ２ ...Rs Ｎ This shows the distance D between dissolution parameters. ｎ And the radius of action of the material Rc ｎ and the molecular radius of action Rs ｎ Based on this, N materials are selected, allowing for more flexible material selection.

[0066] Figure 10 shows another example of the relationship between material properties and molecular properties in the theoretical space of dissolution parameters. Figure 11 shows yet another example of the relationship between material properties and molecular properties in the theoretical space of dissolution parameters.

[0067] As shown in Figures 10 and 11, in step S13, D ｎ ≤ Rc ｎ +Rs ｎ You may select N materials that satisfy the following condition. ｎ ≤ Rc ｎ +Rs ｎ If the following condition is met, then in theoretical space, the molecular radius of action Rs ｎRange and radius of action Rc of the material ｎ Because this range overlaps with the other range, interactions can occur between the material and the molecules, allowing the sensor 10 to efficiently detect the molecules.

[0068] For example, as shown in Figure 10, D ｎ ≤ Rc ｎ +Rs ｎ The following conditions are met, and D ｎ +Rc ｎ ≤ Rs ｎ If the following conditions are met, then in theoretical space, the radius of action Rc of the material is ｎ The entire range is the molecular radius of action Rs ｎ This overlaps with the range, allowing the material and molecules to interact. Also, for example, as shown in Figure 11, D ｎ ≤ Rc ｎ +Rs ｎ The following conditions are met, and D ｎ +Rc ｎ ≥ Rs ｎ If the following conditions are met, then in theoretical space, the radius of action Rc of the material is ｎ A portion of the range is the molecular radius of action Rs ｎ This overlaps with the surrounding area, potentially leading to relatively weak interactions between the material and molecules.

[0069] Note that in the examples shown in Figures 10 and 11, D ｎ ≤ Rc ｎ The condition is not met, D ｎ ≤ Rc ｎ +Rs ｎ When selecting N materials that satisfy the condition, D ｎ ≤ Rc ｎ Materials that satisfy D ｎ ≤ Rc ｎ N materials may be selected, including materials that do not satisfy the condition.

[0070] As described above, in the material selection method according to this embodiment, (i) the distance D between each corresponding combination of the dissolution parameters of N materials in theoretical space and the dissolution parameters of N molecules that correspond one-to-one with the N materials. ｎ , and (ii) the radius of action Rc of each of the N materials in theoretical space ｎBased on this, N materials are selected. Here, n is an integer from 1 to N.

[0071] This allows for a predetermined relationship between the dissolution parameters of N molecules and the radius of action Rc in the theoretical space of dissolution parameters. ｎ N materials possessing this property can be selected. Since the radius of action of a material is a value that indicates the range of molecules with affinity, materials that can efficiently detect N molecules can be selected and used in the N sensors 10. Furthermore, for molecules other than the N molecules, differences from the detection results by the N sensors 10 are more likely to occur, improving the accuracy of analysis when analyzing molecules using the N sensors 10.

[0072] [Manufacturing Method for Sensor Module and Molecular Detection Method] Next, a method for manufacturing a sensor module 20 using N materials selected by the material selection method according to this embodiment, and a molecular detection method for detecting molecules using N sensors 10 made from N materials selected by the material selection method according to this embodiment will be described.

[0073] First, the method for manufacturing the sensor module 20 according to this embodiment will be described. Figure 12 is a flowchart of the method for manufacturing the sensor module 20 according to this embodiment.

[0074] As shown in Figure 12, first, N materials to be used for the N sensors 10 are selected (step S10). In step S10, N materials are selected using the material selection method according to this embodiment, which was described using Figure 4 and the like.

[0075] Next, a sensor module 20 is fabricated (step S20) that includes N sensors 10 using the N materials selected in step S10. In step S20, for example, the N materials selected in step S10 are prepared. Then, each of the N materials is used as an adsorption material 12 for the N sensors 10, and the adsorption material 12 and conductive particles 13 are mixed. After that, the mixture of adsorption material 12 and conductive particles 13 is deposited on a substrate 17 on which a pair of electrodes 15 is formed to form a sensitive film 11 for the N sensors 10. As a result, N sensors 10 are formed on the substrate 17, and a sensor module 20 is obtained. Note that pre-formed sensors 10 may be used to fabricate the sensor module 20. For example, N sensors 10 using N materials may be prepared, and the sensor module 20 may be formed by arranging the N sensors 10 in an array. The fabricated sensor module 20 may also include sensors 10 other than the N sensors 10.

[0076] Next, a molecular detection method using N sensors 10 according to this embodiment will be described. Figure 13 is a flowchart of the molecular detection method according to this embodiment.

[0077] As shown in Figure 13, first, N materials to be used for the N sensors 10 are selected (step S10). In step S10, N materials are selected using the material selection method according to this embodiment, which was explained using Figure 4 and the like.

[0078] Next, molecules are detected by N sensors 10 made from the N materials selected in step S10 (step S30). For example, in step S30, first, a sensor module 20 containing N sensors 10 manufactured by the above manufacturing method is prepared. Then, the sensor module 20 containing the N sensors 10 is exposed to a gas containing the target molecules. This allows the detection results of molecules by the N sensors 10 to be obtained.

[0079] The molecular detection results from the N sensors 10 are input to, for example, an analytical device. The analytical device is, for example, a computer, which analyzes the molecules in the gas based on the molecular detection results from the N sensors 10. The analytical device identifies the molecules contained in the gas as part of the analysis. The analytical device may also be used for odor identification. In this case, the molecules contained in the gas are, for example, odor molecules, which are volatile organic compounds that constitute odor components. Since N molecules can be effectively detected by the N sensors 10 using the N materials selected as described above, the accuracy of molecular identification can be improved. The analytical device extracts one or more feature quantities from the molecular detection results from the N sensors 10, and identifies the molecules using a trained logic model that takes the extracted one or more feature quantities as input.

[0080] (Other Embodiments) The material selection method, sensor module manufacturing method, and molecular detection method related to this disclosure have been described above based on embodiments, but this disclosure is not limited to these embodiments. Without departing from the spirit of this disclosure, various modifications to the embodiments that a person skilled in the art can conceive, as well as other forms constructed by combining some of the components of the embodiments, are also included in the scope of this disclosure.

[0081] For example, in the above embodiment, D ｎ ≤ Rc ｎ or D ｎ ≤ Rc ｎ +Rs ｎ We have explained an example of selecting N materials that satisfy the following condition: ｎ ≤ Rc ｎ or D ｎ ≤ Rc ｎ +Rs ｎ Different conditions may be used. For example, the right-hand side of these inequalities may be multiplied by a predetermined coefficient. For example, D ｎ ≤ A × Rc ｎ or D ｎ ≤ A × (Rc ｎ +Rs ｎN materials that satisfy the condition may be selected. The predetermined coefficient A is, for example, greater than 0 and less than 1. The predetermined coefficient A may be 0.5 or greater and less than 1. This makes it possible to select N materials in which the interaction between the material and its molecules is greater.

[0082] Furthermore, the general or specific aspects of this disclosure may be implemented as a system, apparatus, method, integrated circuit, or computer program. Alternatively, the computer program may be implemented on a computer-readable non-temporary recording medium such as an optical disk, HDD, or semiconductor memory on which the computer program is stored. Furthermore, any combination of the system, apparatus, method, integrated circuit, computer program, and recording medium may be implemented. For example, this disclosure may be implemented as a material selection method executed by a computer, or as a program for causing a computer to execute such a material selection method. Alternatively, this disclosure may be implemented as a computer-readable non-temporary recording medium on which such a program is recorded.

[0083] The material selection method, sensor module manufacturing method, and molecular detection method relating to this disclosure are useful for devices or systems for detecting or analyzing molecules contained in gases.

[0084] 10 Sensor 11 Sensitive film 12 Adsorption material 13 Conductive particles 15 Electrode 17 Substrate 20 Sensor module

Claims

1. A material selection method for selecting N materials to be used in each of N sensors (where N is an integer of 1 or more) that detect molecules, comprising: (i) the distance D between each corresponding combination of the dissolution parameters of the N materials and the dissolution parameters of the N molecules that correspond one-to-one to the N materials in a theoretical space of dissolution parameters of two or more dimensions ｎ (n is an integer from 1 to N), and (ii) the radius of action Rc of each of the N materials in the theoretical space. ｎ A material selection method for selecting the N materials based on the above.

2. D ｎ ≤ Rc ｎ A method for selecting materials according to claim 1, wherein N materials satisfy the condition.

3. The material selection method according to claim 1, wherein N is 2 or more, the types of the N materials are different from each other, and the types of the N molecules are different from each other.

4. N is 3 or greater, the types of the N materials are different from each other, the types of the N molecules are different from each other, in the theoretical space, let Dc1 be the distance between the solubility parameters of two materials in a first combination of two of the N materials, and let the action radii of the two materials in the theoretical space be Rc ｉ and Rc ｊ (where i≠j, and i and j are each an integer from 1 to N), in the theoretical space, let Dc2 be the distance between the solubility parameters of two materials in a second combination of two of the N materials that is different from the first combination, and let the action radii of the two materials in the theoretical space be Rc ｋ and Rc ｇ (where k≠g, k≠i, k≠j, and k and g are each an integer from 1 to N), Dc1≦Rc ｉ +Rc ｊ , and Dc2>Rc ｋ +Rc ｇ the N materials further satisfying the above condition are selected, the material selection method according to claim 1.

5. The material selection method according to claim 1, wherein the dimension of the theoretical space is determined based on the performance required for the device using the N sensors.

6. Furthermore, the radius of action Rs of each of the N molecules in the theoretical space ｎ A method for selecting materials according to any one of claims 1 to 5, wherein N materials are selected based on the above.

7. D ｎ ≤ Rc ｎ +Rs ｎ A method for selecting materials according to claim 6, wherein N materials satisfy the condition.

8. (i) The distance D between each corresponding combination of the dissolution parameters of N materials (where N is an integer greater than or equal to 1) and the dissolution parameters of N molecules that correspond one-to-one to the N materials in a theoretical space of dissolution parameters of two or more dimensions. ｎ (n is an integer from 1 to N), and (ii) the radius of action Rc of each of the N materials in the theoretical space. ｎ A method for manufacturing a sensor module, comprising selecting N materials based on the above, and manufacturing a sensor module containing N sensors using the selected N materials.

9. (i) The distance D between each corresponding combination of the dissolution parameters of N materials (where N is an integer greater than or equal to 1) and the dissolution parameters of N molecules that correspond one-to-one to the N materials in a theoretical space of dissolution parameters of two or more dimensions. ｎ (n is an integer from 1 to N), and (ii) the radius of action Rc of each of the N materials in the theoretical space. ｎ A molecular detection method comprising selecting N materials based on the above, and detecting molecules using N sensors that utilize the selected N materials.

Images