Method for predicting spatial recognition of a fragrance composition and method for predicting spatial recognition of a fragrance composition

Abstract

A method (200) for predicting the spatial recognition of a fragrance component or composition for preparing a fragrance composition containing a fragrance component or composition includes the following steps: - selecting (205) a value on a computer interface representing one or two of the following parameters: - a minimum sensory intensity level corresponding to a predetermined minimum psychophysical intensity of the component, - a maximum distance corresponding to the distance at which the component is perceived at the minimum predetermined psychophysical intensity level, or - a certain amount of liquid component, wherein the selected value is selected within a range of at least two different values, - calculating (215) a value representing any of the following parameters by a calculation system: - a minimum sensory intensity level corresponding to a predetermined minimum psychophysical intensity of the component, - a maximum distance corresponding to the distance at which the component is perceived at the minimum sensory intensity level selected or set by a default, or - a certain amount of liquid component, and wherein the calculated value represents a parameter other than the parameter associated with the selected value, and wherein the value of a parameter that is neither selected nor calculated is set to a default value, the component numerical identifier corresponding to a physical component to be used in the fragrance composition, which is prepared as a function of the calculated and selected values.

Description

Technical Field

[0001] This invention relates to methods for predicting the spatial recognition of fragrance components and fragrance compositions. It is particularly applicable to the field of fragrances (cosmetic flavorings). More precisely, this invention can be applied to areas such as fragrance performance modeling and visualization, digital tools for intelligent design of fragrance compositions, performance optimization of fragrance compositions, spatial and temporal performance attributes of fragrances, and more specifically, the trail performance of high-quality fragrances. Background Technology

[0002] Fragrance performance, especially in the context of high-quality fragrances, can be divided into three main attributes: impact, persistence, and projection, the latter consisting of "diffusion" and trace characteristics. Projection (sometimes referred to as "volume" in the art) describes the degree to which others perceive the fragrance from a distance.

[0003] In the field of fragrance, the term "diffusion" generally refers to the perceived effect of a fragrance (or fragrance ingredient) in the vicinity of an "aura" or fragrance source (the wearer). In this context, the aura is defined by the space surrounding the fragrance source, where diffusion from the gas-liquid interface (i.e., liquid perfume on skin exposed to air) is a relevant transport mechanism. Such a definition also appears in the following publication: "A new technique for studying the diffusion of fragrance from the skin," by Braja D. Mookherjee, Subha M. Patel, Robert W. Trenkle, and Richard A. Wilson, in Cosmetics & Toiletries (1998), 113(7), 53–56, 58–60. The term should be contrasted with "traces" or "jet streams," in which the primary transport carrier is predominantly convection or airflow, or both, resulting from the movement of the fragrance source.

[0004] In fact, whether the fragrance applicator is sitting in an office or walking, the most common fragrance application scenarios involve some type of ventilation or airflow (convection). Airflow can be caused in various ways, such as building ventilation, the applicator's active movement, the applicator's recent movement, wind, or natural convection due to body heat. The intensity of air convection around the applicator determines the different fragrance application scenarios, each of which is related to the degree of vapor-phase dilution of the fragrance plume in the surrounding air as the fragrance spreads (projects) from the applicator.

[0005] Fragrance trails are associated with a large, and in fact turbulent, convective airflow around the fragrance applicator, which may be caused by the person's movement (walking) or the movement of the surrounding air (wind) or both. Therefore, the performance of a fragrance in a trail can be regarded as the ultimate stress test of fragrance performance; in other words, the fragrance emitted from the applicator is most extensively diluted by the gas phase of the surrounding air in the case of a trail compared to all other fragrance application cases.

[0006] Although fragrance trails are frequently cited in patent literature and scientific publications, published technologies still lag behind in terms of real-world quantitative data or predictions of vapor-phase fragrance dilution around pedestrians, and in applying this data to improve fragrance performance. Based on this knowledge, and the understanding of the human olfactory dose-response characteristics of fragrance components, distance and practical fragrance optimization can be performed for trail performance.

[0007] Due to the lack of any of the knowledge blocks mentioned in the previous paragraph, it is impossible to reliably predict or estimate the spatial recognizability of ingredient mixtures. Therefore, it is necessary to resort to time-consuming and laborious empirical processes to assemble the mixtures and measure the recognizability using sensory panels. These limitations significantly slow down the fragrance (mixture) design process, increase the cost of fragrance development, and waste valuable raw materials.

[0008] For example, the current systems and methods used on the website fragrantica.com provide various experience classifications of fragrance products to measure the trail performance of a fragrance based on the distance from which the fragrance is projected to the applicant. However, the data for such classifications comes from informal consumer surveys conducted by the website, and while such experience classifications can be used to rank fragrances by performance, it is impossible to glean fragrance creation rules that result in superior trail performance solely from such data.

[0009] Other current systems and methods approximate fragrance performance by using the odor values ​​of their constituent components. The odor value of a fragrance component is the ratio of its equilibrium gaseous concentration (also known as saturation concentration) (often referred to as "evaporability") to its gaseous concentration at its odor detection threshold. The terms odor value and odor detection threshold are well-known to those skilled in the art of fragrance, human sensory perception, or related fields and are widely used in the prior art.

[0010] The odor value has two shortcomings as an indicator of fragrance trace performance and other aspects of fragrance performance.

[0011] First, because the concept of odor value is based on an odor detection threshold, any odor-value-based performance metric for an ingredient only requires that the ingredient be present in the gas phase at its odor detection threshold, meaning it can only be detected by the human nose. This standard is necessary, but insufficient, for setting performance targets for ingredients and fragrances in fragrance applications, as customers expect odors and their components to be perceived with such limited intensity that the ingredient or fragrance can be identified and interpreted, not just detected. Since odor value is based on the minimum possible sensory perception signal of any ingredient—i.e., detection—odor-value-based performance metrics systematically exaggerate the performance capabilities of fragrance ingredients themselves and in fragrance compositions. Therefore, sensory detection as a performance standard and odor value as a performance metric are impractical and insufficient for performance-driven fragrance design and optimization that requires realistic quantitative predictions.

[0012] Secondly, when comparing the performance of different components, performance metrics based on odor values—which are related to odor detection—cannot predict the relative performance of components at higher perceived intensities, such as those related to odor recognition, which are relevant to actual fragrance product applications.

[0013] Figure 1 The psychophysical intensity 140 of the fragrance component is shown as a function of the gaseous concentration 135 of the component. Such a function is called a "dose-response curve." Figure 1 In this case, it is represented as α-damascone 115 and δ-damascone 120.

[0014] The lowest perceptible (detectable by the human nose) gaseous concentration of a component is called the odor detection threshold, 10⁵ and 110. In the odor value performance evaluation paradigm, the odor value quantifies, in mathematical terms, the difference between the maximum gaseous concentration under equilibrium conditions and the minimum gaseous concentration that allows human olfaction to detect the compound. The odor detection threshold is measured through a series of triangulation tests, where sensory results are expressed as the percentage of correct answers from randomized sensory tests, including an odorless blank and actual odorant ingredients. The odor detection threshold typically corresponds to 50% of the correct answers from the sensory panel; however, for the triangulation test, a 67% standard of correct answers is used.

[0015] δ-Damamilone has a higher odor value than α-Damamilone, which means that in an odor-based performance evaluation paradigm, based on sensory standards using odor detection, δ-Damamilone is a higher-performing ingredient and has a wider dilution range than α-Damamilone. However, at higher sensory intensities, the dose-response curves of the two ingredients cross twice, with α-Damamilone maintaining higher performance compared to δ-Damamilone.

[0016] For example, N. Neuner-Jehle and F. Etzweiler, “The Measuring of Odours”, InPerfumes: Art, Science & Technology, PM Müller, D. Lamparsky, eds, Chapter 6, p. 153. Elsevier Applied Science: 1991 provides a relevant discussion on odor values ​​and their limitations. In this publication, the performance of perfumes is discussed in the context of odor values. Based on the Stevens psychophysical power function applied to the odor intensity-concentration relationship, an odor detection threshold for the components is introduced. The concept of odor value is simply defined as the quotient of the saturation concentration (at equilibrium) of the component in the gas phase and the odor detection threshold concentration of the component in the gas phase, both typically expressed in nanograms per liter of air.

[0017] The author specifically mentions that odor values ​​can serve as a relative and approximate measure of odor intensity, but with limitations. These limitations include:

[0018] According to the psychophysical power law function, fragrance intensity does not increase linearly with fragrance concentration; in other words, the concentration ratio of odor values ​​cannot be equated with the odor intensity outside of odor detection, and...

[0019] - The odor intensity of different flavorings increases with concentration, and two flavorings can be perceived as having very different odor intensities, even if they may be used at the same level in their partial odor values ​​in the composition (i.e., based on partial evaporation, taking into account the mixture composition).

[0020] This method of utilizing classical odor values ​​can be seen in Givaudan's international patent application WO2019 / 122306 entitled "Method and apparatus for creating an organic composition". This publication discloses a fragrance / flavor design system: a computer terminal for allowing a user to generate fragrance or flavor compositions, the terminal including a processor, a database connection to a database of stored ingredients, an output connection to an output device configured to generate a sample of the composition, a display, and a user input device; wherein the processor is configured to: accept selections of ingredients from the database via the user input device; add pictographs representing the selected ingredients to an olfactory design space on the display, wherein the size of the pictograph for each selected ingredient represents the olfactory contribution of the selected ingredient to the composition; convert each selected ingredient into an olfactory contribution of a corresponding number of ingredients; and, when the user requests a sample of the composition via the input device, instruct the output device to dispense a corresponding number of the selected ingredients.

[0021] While this publication focuses primarily on the design of a visual fragrance creation portal connected to various databases and peripherals, it does reference certain elements related to how to access and evaluate the performance indicators of ingredients in a composition:

[0022] - The concept of odor value is widely cited and comes with detailed specifications as the preferred measure of ingredient performance, whether inside or outside the composition;

[0023] The publication mentions dose-response curves as another possible property of performance: "Furthermore, dose-response curves can be stored and visualized (locally or remotely), providing additional effect scores. Dose-response curves express the evolution of an ingredient's effect as a function of that ingredient's headspace concentration," although no details are specified on how such dose-response data can be translated into quantitative indicators (dosage in the ingredient) to guide formulation or for long-range performance prediction; and

[0024] The publication mentions "hydrodynamic transport equations for diffusion and convection mechanisms" as an example of a suitable method that can be implemented in the portal to calculate properties such as trace: "Spatiotemporal performance criteria, such as toughness, affinity, bloom, emissivity, volume, and trace, can also be incorporated as useful properties. Optionally, these properties can be calculated using suitable algorithms implemented in the creation tool. Examples of suitable algorithms include vapor-liquid equilibrium (VLE) calculations and calculations of the hydrodynamic transport equations for diffusion and convection states. However, while vapor-liquid equilibrium calculations are straightforward to those skilled in the art, the hydrodynamic transport equations for diffusion and convection can be approximated by a variety of geometries and computational methods, and the impact of such calculations on fragrance performance predictions lacks specific details."

[0025] A similar method based on odor values ​​can also be seen in Givaudan's international patent application WO2015 / 181257 entitled "Fragrance Composition". This publication discloses fragrance compositions that claim to exhibit controlled or desirable spatiotemporal olfactory characteristics. The publication also relates to methods for quantifying the spatiotemporal olfactory characteristics of the compositions. The publication mentions and discusses the trace (overflow) performance of fragrances, also within the framework of odor values ​​as performance indicators, and the construction of devices for sensorily evaluating trace (overflow) performance. The intent of this prior art appears to be twofold: (1) to formulate fragrance compositions claiming strong experimental performance based on knowledge of the odor values ​​of the constituent components, relying on knowledge of component evaporability and odor detection thresholds, by selecting high-performance components using graphical methods of odor values ​​(logarithmic graphs and lines depicting certain performance regions); and (2) to provide a fragrance trace evaluation device and measurement method. The authors claim high-performance fragrance components (including traces) based on evaporability and odor detection thresholds.

[0026] This disclosure has the same flaws as the previously mentioned disclosures, including the use of classic scent values ​​as a measure of ingredient selection and various fragrance application patterns and the use of trace performance.

[0027] Therefore, it is understandable that since all known fragrance performance prediction methods in the prior art adopt the concept of odor value based on odor detection threshold, there is no method to predict or simulate the actual fragrance performance and its composition based on the distance of the consumer's actual fragrance application and usage habits. Summary of the Invention

[0028] This invention aims to overcome all or part of the shortcomings of the prior art.

[0029] The inventors have discovered a new method to link the quantity and composition of a fragrance applied to an applicator to the spatial range of components in the trail behind the applicator at a required level of perceived intensity, so that it can be perceived by odor receptors at a specific distance and at a specified minimum level of sensory intensity.

[0030] In particular, with Figure 1 For example, if different target strength 145 standards are chosen as the basis for ingredient performance indicators, rather than odor detection thresholds, the superior performance of α-damascone compared to δ-damascone can be quantitatively captured within the practical range of perceived intensity related to consumer fragrance products and consumer use.

[0031] Applying this new finding, fragrance performance can be predicted based on consumers' fragrance application and usage habits in various scenarios:

[0032] - Predict the distance of the source (applied person) from which the fragrance (and / or its components) can be perceived at a target intensity, as a function of the amount and composition of the fragrance on the skin (liquid phase).

[0033] - Predict the distance of the source (applied person) from which the fragrance (and / or its components) can be perceived as a target amount, as a function of the intensity and composition of the fragrance on the skin (liquid phase).

[0034] -Predict the amount and composition of fragrance on the skin (liquid phase) required to reach a predetermined distance to achieve the target perceived intensity.

[0035] -Predict the amount and composition of fragrance on the skin (liquid phase) required to reach the target distance with the minimum predetermined perceived intensity.

[0036] -Predict the perceived intensity of the fragrance and its components at a predetermined distance and the target amount in the liquid phase, and / or

[0037] -Predict the perceived intensity of the fragrance and its components at the target distance, and the predetermined amount in the liquid phase.

[0038] In the context of this invention, "trace" is defined as the opposite of "fragrant atmosphere," combining aspects of time and distance. The fragrant atmosphere of a fragrance is formed in the vicinity of the applicant and is synonymous with slight (if any) movement of the applicant or agitation of the air. The fragrant atmosphere is essentially the fragrance's initial diffusion from the skin or clothing into the gas phase, first reaching the area immediately adjacent to the applicant, and then feeding a trace in conjunction with the applicant's movement and / or additional air convection. A trace is synonymous with the applicant's movement (e.g., walking) or air movement (e.g., wind), or both. The trace is evaluated by others and should be perceived at a distance of at least 1 meter, preferably 2 meters, most preferably 4 meters, with the desired sensory intensity (e.g., intensity associated with odor recognition), after at least 30 minutes from application, preferably at least 1 hour from application, more preferably at least 2 hours from application, and most preferably at least 4 hours from application, when the fragrance has entered the "drying" stage.

[0039] It should be noted that volatility itself is a gas-phase saturation concentration, a derived property rather than a fundamental one. It can be measured or calculated through vapor pressure, and can also be related to boiling point (for liquids), similar to the relationship between vapor pressure and boiling point. High vapor pressure indicates high volatility, while a high boiling point indicates low volatility. Vapor pressure and boiling point are usually displayed in property tables and graphs, which can be used to compare chemicals of interest.

[0040] In the context of this invention, volatility is preferably expressed in units of concentration, such as micrograms of a compound per liter of air, and corresponds to the maximum concentration that a gaseous component in a closed system can achieve when it reaches equilibrium with its liquid or solid phase at a given temperature.

[0041] When the gas phase concentration associated with the desired level of perception or human olfactory response is known, volatility is related not only to describing the evaporation process but also to the odor or olfactory properties of the component. The gas phase concentration can define an odor detection threshold—the gas phase concentration at which an odor can be detected—or, as can be used within the scope of this invention, a specific finite perceived intensity is a portion of the component-response curve dose, which may include a perceived intensity associated with a sensory recognition threshold—the gas phase concentration at which an odor can be correctly identified and / or described.

[0042] In the context of this invention, a component designated as an "evaporative ingredient" exhibits a vapor pressure of at least 1E-6 mmHg (0.000001 mmHg) at normal room temperature of 22°C. This ingredient evaporates non-negligibly at temperatures above a minimum temperature threshold indicating the minimum temperature at which the compound is used. For example, if an ingredient is intended for use in a fragrance that should be perceived in daily life, then the minimum temperature might be 0°C. In this example, at temperatures above 0°C, the ingredient forms a fragrance vapor called a "gas phase," which can be perceived by the human nose. This chemical component can also be defined by its molecular weight. According to this definition, an evaporative ingredient refers to a component with a molecular weight below 350 Da. Preferably, an evaporative ingredient is a component with a molecular weight below 325 Da. Preferably, an evaporative ingredient is a component with a molecular weight below 300 Da.

[0043] It should be noted that the term "on a computer interface" is usually defined by the action of inputting instructions into a computing system.

[0044] Such input operations can use human-computer interfaces, such as keyboards, mice, touch screens, or any interactive GUI (i.e., "graphical user interface") that accepts user input.

[0045] In the variant, the inputs considered are logical inputs, such as commands received by the computing system through an information technology network (wireless or non-wireless). In this case, the interface is a logical "port" of software running on the computing system.

[0046] The inputs considered may be the result of human decision-making or may be automatically determined by the computing system.

[0047] It should be noted that the term "computing system" refers to any electronic computing device, whether single or distributed, capable of receiving digital input and providing digital output through any type of digital and / or analog interface. Typically, a computing system specifies a computer that executes software to access data storage or a client-server architecture, where data and / or computation are performed on the server side, while the client acts as the interface.

[0048] It should be understood here that the inventors have discovered a new way of characterizing and utilizing the dilution of a component in the wake of a walking person (or equivalently, a stationary person in an airflow wake, such as wind) that produces a fragrance trail, in order to improve the performance of aromatized consumer products, as a function of the distance between the location of the component at the source (the fragrance applicator) and the location of a sensor of that component (e.g., a person's nose). This relationship has not been used before in a reliable, quantitative, and realistic manner because it is related to the context of the consumer applying the fragrance.

[0049] The term "identifiability" is defined as the likelihood, more preferably, to perceive, identify, or correctly describe, the olfactory characteristics of a component in the gas phase at a specified distance from the fragrance source (the applicator) to multiple individuals who smell the fragrance. Identifiability and detectability are two distinct concepts, as the latter relates to the likelihood that multiple individuals who smell the fragrance will detect the odor, but not to the inability to identify or correctly describe the odor characteristics associated with that component, or, more preferably, the component itself.

[0050] The term "distance" refers to the spatial distance between two objects, such as the distance between a perfume applicator and a person who comes into contact with the vapor phase of the perfume, and the direction corresponding to, for example, the fragrance trail.

[0051] The term "sensory intensity level" refers to the perceived psychophysical intensity value of a component, specified within a range defined by the dose-response relationship of said component. Sensory intensity levels can be expressed as absolute values, such as 3.5 on a 10-point scale, or as a percentage of the maximum proportion, such as 35% of the proportion. Absolute and relative definitions are interchangeable and can be easily converted to each other if a maximum value of the desired proportion to be used is specified.

[0052] The term "fragrance source" refers to the geographical location where a fragrance ingredient or composition exists in liquid form, either in bulk or dispersed on a surface.

[0053] The term "maximum total dilution" refers to the dilution of a fragrance component, including its liquid-phase dilution in the fragrance composition (mixture), measured, for example, by its weight fraction in the fragrance composition, and its dilution in the gas phase by air space at a specified distance relative to its gas-phase concentration at the liquid-air (gas-liquid) interface. The term "maximum total dilution" includes the word "maximum" because it is specified as meeting a sensory criterion of at least a selected minimum perceptible intensity of the odor component.

[0054] The term "relative ingredient amount" or "relative amount" refers to the weight fraction of an ingredient in a given fragrance composition or fragrance formulation, including multiple ingredients, solvents and / or other functional ingredients.

[0055] The terms "amount of ingredient" or "amount of composition" refer to the absolute amount (mass or volume) of fragrance applied to the human body in liquid or solid form by a consumer, such as through a perfume spray. Where the amount of ingredient or composition is not explicitly specified, the default value is always used unless explicitly changed by the user. Based on provided information about airflow velocity, the body part to which the fragrance is applied, and the amount of fragrance or ingredient applied (the latter translated into the surface area on the body containing the fragrance source), a pre-calculated functional relationship between spatial dilution and the downstream distance of the fragrance applicator is retrieved.

[0056] Consumers' fragrance application and usage habits can be defined using technical terms for the consumer product application of interest, and such technical definitions are needed to develop robust technical prediction methods, such as those described in this invention. For example, for high-quality fragrances, the technical specifications of the prediction method may include, but are not limited to:

[0057] - Fragrance application in water-ethanol mixtures at 5-20% concentration;

[0058] Consumers apply the fragrance 2 to 4 times to various parts of their body, including the neck, chest, shoulders, arms, or various pulse points, and may cover a body surface area of ​​50 to 500 square centimeters.

[0059] - Average walking speed is 1.0 to 1.4 m / s;

[0060] - The distance from the applicator along the downstream direction of the airflow ranges from close to the skin to more than 4 meters;

[0061] - The desired sensory intensity of fragrance element components at a given distance, typically selected from, but not limited to, the lower half of the sensory perception scale (i.e., a maximum of 5 points on a 10-point scale); and

[0062] - The time it takes for the product to reach the desired level of sensory intensity after being applied to the skin.

[0063] Sensory intensity level is a well-defined quantity that can be measured based on statistically processed responses from multiple human panel members at a predetermined ratio, or estimated based on a mathematical expression describing the available human olfactory dose-response relationship, the latter also constructed from the responses of a statistically processed group of preferably 30 or more human panel members. The preferred sensory intensity level describing fragrance performance varies depending on the consumer product application and geographic region; consumers may have a more or less pronounced preference for certain aspects of fragrance performance. The preferred sensory intensity level is rigorously determined by human sensory panels, employing statistical processing of multiple subjects and the results of these panels, and is provided as a parameter to the fragrance performance prediction model of this invention.

[0064] A preferred sensory intensity level for a fragrance ingredient or fragrance composition can be associated, for example, with a recognition threshold determined by a human sensory panel. The recognition threshold is a sensory intensity, or equivalently, a gaseous concentration at which a human sensor can identify and correctly characterize or describe the fragrance ingredient or fragrance composition.

[0065] A key distinguishing feature of this invention from existing technologies is the use of predetermined sensory intensity levels under real-world conditions of fragrance use as parameters in the performance prediction method. This allows for a realistic estimation of the performance of fragrance components in a given composition, as well as an estimation of their preferred levels of use within the fragrance composition, for example, to achieve ideal sensory performance. No prediction method or approach involving odor values ​​can specify predetermined sensory intensity standards for fragrance performance because, by definition, odor values ​​are only related to odor detection thresholds, not any range of sensory intensity levels that can be specified in this invention.

[0066] According to the first embodiment, the object of the present invention is a method for predicting the spatial recognizability of a fragrance ingredient or composition, thereby preparing a fragrance composition comprising the fragrance ingredient or composition, comprising the following steps:

[0067] - Select a value representing one or both of the following parameters on the computer interface:

[0068] -Minimum sensory intensity level, corresponding to the predetermined minimum psychophysical (or sensory) intensity of the component.

[0069] - Maximum distance, corresponding to the distance at which the component is perceived with the lowest predetermined psychophysical intensity level, or

[0070] -A certain amount of liquid phase components

[0071] The selected value is chosen from a range of at least two distinct values.

[0072] - Calculate the value representing any of the following parameters using a computational system:

[0073] -Minimum sensory intensity level, corresponding to the predetermined minimum psychophysical intensity of the component.

[0074] - Maximum distance, corresponding to the distance at which the component is perceived using the minimum sensory intensity level selected or set by default, or

[0075] -A certain amount of liquid phase components, and

[0076] Wherein, the calculated value represents a parameter other than the parameter associated with the selected value, and wherein the value of a parameter that is neither selected nor calculated is set to a default value, and the ingredient numerical identifier corresponds to a physical component to be used in the fragrance composition, which is prepared as a function of the calculated and selected values.

[0077] These provisions offer advantages similar to those of all other forms of the invention combined.

[0078] According to the second embodiment, the object of the present invention is a method for predicting the spatial recognizability of a fragrance ingredient or composition, thereby preparing a fragrance composition comprising the fragrance ingredient or composition, comprising the following steps:

[0079] - On the computer interface, select a value representing the minimum required sensory intensity level, corresponding to the expected minimum psychophysical intensity of the component's perception, wherein the value is selected from a range of at least two distinct values.

[0080] - The minimum gas phase concentration representing the component corresponding to the selected minimum sensory intensity level is determined by a calculation system, as a function of the dose-response curve that links the gas phase concentration to the selected minimum sensory intensity.

[0081] - The maximum total acceptable dilution of the fragrance's gas and liquid phases is calculated using a computational system, as a function of a determined minimum gas phase concentration, and

[0082] - A calculation system is used to calculate at least one value representing the distance from a fragrance source, up to a maximum distance from the fragrance source, at which the component exhibits at least a selected minimum sensory intensity level as a function of the calculated maximum total component dilution. The calculation step includes retrieving from an electronic memory at least one value representing the minimum spatial dilution of the component in the gas phase, which corresponds to a predetermined downstream distance from the fragrance source.

[0083] Such specifications allow for accurate prediction and optimization of fragrance performance at distances representing the fragrance trail. In effect, the use of variable minimum sensory intensity levels allows for defining minimum performance thresholds for each component in the fragrance, which in turn allows for the calculation of the maximum distance at which a fragrance component can provide the desired sensory performance (e.g., a specific perceived intensity). This relationship between performance thresholds and distance allows for realistic, quantitative, and reliable performance prediction and evaluation of fragrance components and the complete fragrance composition. This knowledge enables advanced design of multi-component fragrances, for example, with specific performance requirements in terms of distance and time.

[0084] In a particular embodiment, the calculation step includes retrieving at least one value from an electronic memory representing the minimum spatial dilution of a component in the gas phase, the minimum spatial dilution corresponding to a predetermined downstream distance from a fragrance source, the value being used to calculate the maximum downstream distance from the fragrance source at which the component exhibits at least a selected minimum sensory intensity level.

[0085] Such embodiments allow for the use of pre-calculated gas-phase dilution levels based on dilution calculation algorithms (e.g., computational fluid dynamics) to determine the distance associated with the performance level (e.g., minimum sensory intensity) of the selected fragrance ingredient or composition.

[0086] In a particular embodiment, the method objective of the present invention includes, prior to the retrieval step, constructing a minimum spatial dilution electronic memory, said construction step matching the minimum spatial dilution value to at least one distance from a fragrance source value and at least one of the following indicators:

[0087] - An indicator of the incoming airflow rate into the fragrance source containing the stated ingredients.

[0088] - An indicator representing the surface area of ​​an ingredient or fragrance composition upon which it is applied.

[0089] - Indicators representing simulation parameters of the human body shape, and / or

[0090] - An indicator showing the area on the human body where the ingredient or fragrance composition is applied.

[0091] The construction steps include a computational fluid dynamics simulation configured to calculate the spatial dilution value at a predetermined downstream distance from the source.

[0092] Such embodiments allow the use of advanced computational fluid dynamics algorithms, which in turn allow for the accurate prediction of the gas phase concentration of fragrance components at a given distance from the fragrance applicator, which is then converted into a dimensionless spatial dilution factor, or spatial dilution factor, and correlated with the component performance indicators of the fragrance component design.

[0093] In a particular embodiment, the method of the present invention aims to include a step of setting a value representing the drying duration of the ingredients, and a step of calculating a value representing the distance from the fragrance source is implemented as a function of the drying setting duration.

[0094] Such embodiments allow for spatiotemporal analysis of the performance of all components in a fragrance composition at a distance representing the fragrance trace.

[0095] According to the third embodiment, the object of the present invention is to provide a method for predicting the spatial discriminability of fragrance components, thereby preparing a fragrance composition containing the fragrance components or composition, comprising the following steps:

[0096] - On the computer interface, select a value representing distance, which is within a range of at least two different values, and the maximum is the maximum downstream distance from the fragrance source, at which the component exhibits a minimum sensory intensity level corresponding to a predetermined minimum psychophysical intensity of the component.

[0097] - Retrieve the minimum spatial dilution value associated with the selected distance from the electronic memory.

[0098] - The system determines the gas phase concentration value representing the component corresponding to the retrieved spatial dilution value through calculation, and

[0099] - For a selected distance value, at least one value representing the sensory intensity level is calculated by a calculation system as a function of a dose-response curve that links gas phase concentration to sensory intensity level.

[0100] Such a provision offers advantages similar to the second aspect of the invention, but offers advantages opposite to the first aspect, wherein instead of calculating the distance associated with the requested perceived intensity, the sensory intensity at the distance of interest is calculated.

[0101] According to the fourth aspect, the object of the present invention is a method for predicting the spatial recognizability of a fragrance ingredient or composition, thereby preparing a fragrance composition comprising the fragrance ingredient or composition, comprising the following steps:

[0102] - On the computer interface, select the value representing the minimum sensory intensity level to be achieved, corresponding to the predetermined minimum psychophysical intensity of that component.

[0103] - On the computer interface, select a value representing the downstream distance from the fragrance source.

[0104] - A value representing the gaseous concentration of a component is determined by a calculation system, corresponding to a selected minimum sensory intensity level, as a function of the component's dose response that links the gaseous concentration to the selected minimum sensory intensity.

[0105] - Retrieve the minimum spatial dilution value from electronic memory as a function of the selected distance from the fragrance source.

[0106] - Calculate at least one value representing the maximum total component dilution using a computational system, as a function of the determined gas-phase concentration of said component, and

[0107] - Calculate at least one value representing the maximum total component dilution and at least one value representing the minimum spatial dilution retrieved for the selected distance, and at least one value representing the amount of liquid component, such that the component exhibits a minimum sensory intensity level as a function of the component dilution value at a predetermined distance.

[0108] These specifications offer advantages similar to the second aspect of the invention, but also allow for precise prediction of the level of ingredient usage in the composition, thereby providing a performance level specified by the minimum sensory intensity and the minimum distance from the applicator who perceives that intensity.

[0109] According to the fifth aspect, the object of the present invention is to provide a method for predicting the spatial discernibility of a fragrance composition, thereby preparing a fragrance composition comprising the fragrance ingredients or composition, comprising the following steps:

[0110] - Select at least two ingredient numerical identifiers on the computer interface to form the fragrance source.

[0111] - Set values ​​on the computer interface representing the relative amount of at least one of the components identified by the numerical identifier.

[0112] - On the computer interface, select a value representing the minimum required level of sensory intensity, corresponding to the expected minimum psychophysical intensity of perception for at least one component, said value being selected from a range of at least two distinct values.

[0113] - A calculation system is used to determine the minimum gas phase concentration value representing each of the components corresponding to the selected minimum sensory intensity level, as a function of a dose-response curve that correlates the gas phase concentration with the selected minimum sensory intensity.

[0114] - The maximum total component dilution of the fragrance in both the gas and liquid phases is calculated using a computational system as a function of the determined minimum gas phase concentration for each of the stated components, and

[0115] - Calculate at least one value representing the distance from the fragrance source using a calculation system, up to the maximum distance from the fragrance source, at which at least one component exhibits at least the selected minimum sensory intensity level, as a function of the calculated maximum total component dilution.

[0116] Such a specification provides advantages similar to the second form of the multi-component fragrance of the present invention.

[0117] In a particular embodiment, at least one component digital identifier is associated in computer memory with a descriptor representing the odor of the corresponding component, wherein the method further includes the step of providing at least one alternative component digital identifier to a digital identifier of at least one selected component on a computer interface as a function of at least one descriptor associated with the selected component digital identifier.

[0118] Such implementations allow for advanced fragrance design capabilities, providing intelligent insights to other users of the interface for perfumers and perfumery professionals.

[0119] In an example of such an embodiment, if a component is associated with a given descriptor, then if, in initial consideration, a latter component can achieve a better maximum spatial extent or perceived intensity compared to the first component, the component may be a candidate to be replaced by another component associated with the same descriptor.

[0120] In a particular embodiment, the step of providing is implemented as a function of at least one descriptor associated with the selected component digital identifier and a calculated value representing the maximum downstream spatial distance of the component digital identifier.

[0121] Such implementations allow for advanced fragrance design capabilities, providing fragrance designers with intelligent insights.

[0122] According to the sixth aspect, the object of the present invention is to provide a method for predicting the spatial discernibility of a fragrance composition, thereby preparing a fragrance composition comprising the fragrance ingredients or composition, comprising the following steps:

[0123] - Select at least two numerical identifiers of the ingredients that form the fragrance source on the computer interface.

[0124] - Set values ​​on the computer interface representing the relative amount of at least one of the components identified by the numerical identifier.

[0125] - Select a value on the computer interface that represents a distance within a range of at least two distinct values, with the highest being the maximum downstream distance from the fragrance source, at which at least one component exhibits a minimum psychophysical intensity corresponding to a predetermined minimum sensory intensity level for each of said components.

[0126] - Retrieve the minimum spatial dilution value associated with the selected distance from the electronic memory.

[0127] - A value representing the gas phase concentration of at least one of the components is determined by a calculation system, the value corresponding to a retrieved spatial dilution value, and

[0128] - For a selected distance value, at least one value representing the sensory intensity level is calculated by a calculation system as a function of a dose-response curve that links gas phase concentration to sensory intensity level.

[0129] Such a provision offers advantages similar to those of the fifth aspect of the present invention.

[0130] According to the seventh aspect, the object of the present invention is a method for preparing a fragrance composition, comprising:

[0131] - The step of selecting at least one ingredient digital identifier on a computer interface to form a digital representation of the fragrance composition.

[0132] -The spatial recognizability prediction method for fragrance compositions according to any of the foregoing embodiments of the present invention includes the step of using a computing device to predict the spatial recognizability of at least one selected ingredient's numerical identifier, and

[0133] - The steps for preparing a fragrance composition based on the numerical representation of the fragrance composition. Attached Figure Description

[0134] Other advantages, objects, and specific features of the invention will become apparent from the following non-exhaustive description of at least one specific method that is an object of the invention, as well as a non-exhaustive description relating to the accompanying drawings, wherein:

[0135] [ Figure 1 The diagram schematically illustrates the dose-response curves of two specific fragrance ingredients.

[0136] [ Figure 2 The first specific sequential steps of the method for which this invention is an object are schematically represented in the form of a flowchart.

[0137] [ Figure 3 The second specific sequential steps of the method for which this invention is an objective are schematically represented in the form of a flowchart.

[0138] [ Figure 4 The third specific sequential step of the method for which this invention is an object is schematically represented in the form of a flowchart.

[0139] [ Figure 5 The fourth specific sequential step of the method for which this invention is an object is schematically represented in the form of a flowchart.

[0140] [ Figure 6 This diagram schematically illustrates a graphical representation of the trace phenomenon extracted from computational fluid dynamics simulations regarding the spatial iso-dilution profile in the wake of a human applying fragrance.

[0141] [ Figure 7 A graphical representation illustrating the odor dilution capacity of a fragrance ingredient (compound) compared to the odor value of the same ingredient.

[0142] [ Figure 8 This schematically represents an interface that indicates the spatial extent of all components in a fragrance composition on the vertical axis and the evaporability of those components on the horizontal axis.

[0143] [ Figure 9 The fifth specific step sequence of the method for which this invention is the object is schematically represented in the form of a flowchart.

[0144] [ Figure 10 The sixth specific sequential step of the method for which this invention is an objective is schematically represented in the form of a flowchart.

[0145] [ Figure 11 This schematically illustrates the relationship between evaporability, spatial range (discrimination) based on odor value (odor detection threshold), and spatial range (discrimination) of multiple components based on odor dilution capacity (ODC).

[0146] [ Figure 12 This schematically illustrates a simplified computational fluid dynamics simulation environment for a scaled model relevant to the context of this invention.

[0147] [ Figure 13 The seventh specific sequential step of the method for which this invention is an object is schematically represented in the form of a flowchart.

[0148] [ Figure 14 This schematically illustrates a comparison between simulated computational fluid dynamics and actual measurements.

[0149] [ Figure 15 [Illustratively representing the interface of software that implements the method object of the present invention.] Detailed Implementation

[0150] This description is not exhaustive, as each feature of one embodiment can be advantageously combined with any other feature of any other embodiment.

[0151] European patent application EP20172487.9 is incorporated herein by reference.

[0152] It should be noted that these figures are not drawn to scale.

[0153] It should be noted here that, regarding the technical parameters, the "recognition prediction method" can be considered a simulation method, as long as the value of the technical parameter is the output of the method. Through the technical parameters, it can be understood that such parameters represent natural forces.

[0154] A method for predicting the spatial recognition of fragrance components or compositions for preparing fragrance compositions containing the aforementioned fragrance components or compositions, in a minimal embodiment, includes the following steps:

[0155] - Select a value representing one or both of the following parameters on the computer interface:

[0156] - The minimum sensory intensity level, corresponding to the predetermined minimum psychophysical intensity of this component.

[0157] - Maximum distance, corresponding to the distance of the perceived component at the lowest predetermined psychophysical intensity level or

[0158] -A certain amount of liquid phase components

[0159] The selected value is chosen from a range of at least two distinct values.

[0160] - Calculate the value representing any of the following parameters using a computational system:

[0161] - The minimum sensory intensity level, corresponding to the predetermined minimum psychophysical intensity of this component.

[0162] - Maximum distance, corresponding to the distance at which the ingredient is perceived at the minimum sensory intensity level selected or set by the default, preferably corresponding to the spatial dilution allowed by this sensory intensity level, the location of application, and the walking speed, or the default setting for the amount of ingredient or composition applied by the applicator.

[0163] -A certain amount of liquid phase components, and

[0164] The calculated value represents a parameter other than the parameter associated with the selected value, and the value of a parameter that is neither selected nor calculated is set to a default value. The ingredient numerical identifier corresponds to a physical component to be used in the fragrance composition, which is prepared as a function of the calculated and selected values.

[0165] Such embodiments are as follows Figures 2 to 11 It is instantiated in the description.

[0166] Figure 2 Specific sequential steps of the method for which this invention is intended are shown. The spatial recognition prediction method 200 for preparing a fragrance composition comprising the fragrance ingredient or composition includes, in a minimal embodiment, the following steps:

[0167] - On the computer interface, select a value of 205 to represent the minimum required sensory intensity level. This value corresponds to the expected minimum psychophysical intensity of the component's perception, and the value is selected from a range of at least two different values.

[0168] - The minimum gas phase concentration of component 240 corresponding to the selected minimum sensory intensity level is determined by a calculation system as a function of the dose-response curve that links the gas phase concentration to the selected minimum sensory intensity.

[0169] - The maximum total acceptable dilution of 210 components is calculated using a computational system, for both the gas and liquid phases of the fragrance, as a function of the determined minimum gas phase concentration, and

[0170] - A calculation system is used to calculate 215 at least one value representing the distance from the fragrance source, up to the maximum distance from the fragrance source, at which the component exhibits at least a minimum sensory intensity level, selected as a function of the calculated maximum total component dilution. The calculation step includes retrieving 220 at least one value representing the minimum spatial dilution of the component in the gas phase from an electronic memory, the value corresponding to a predetermined downstream distance from the fragrance source, and preferably under default settings for the amount of component applied by the applicator, the location of application, and the walking speed.

[0171] The selection step 205 can be performed manually or automatically on the computer interface under consideration. For example, in a particular embodiment, the selection step 205 is performed by an operator operating a mouse and / or keyboard to input the minimum sensory intensity level required for the ingredient on the GUI of software running on the computing system.

[0172] The selected minimum sensory intensity level should correspond to the expected performance of the ingredient in line with consumer preferences and usage habits. Higher selected values ​​correspond to more stringent expected olfactory perception levels requiring higher performance from the fragrance composition or ingredient. In certain embodiments of the invention, the minimum sensory intensity level may correspond to, for example, the recognition threshold of the ingredient under consideration. In certain embodiments of the invention, different minimum sensory intensity levels may be selected for different ingredients in the fragrance composition.

[0173] For example, the lowest sensory intensity level corresponds to the perceived psychophysical intensity value of a certain component, such as that obtained from a dose-response curve (e.g., Figure 1 The components are defined by (in the middle) and then sequentially correspond to the gas phase concentration values.

[0174] In the prior art, such as that disclosed in WO2006 / 138726, the relationship between perceived psychophysical intensity and the gaseous concentration of a component is considered linear. This consideration led the inventors to use linear regression to establish this relationship. However, the inventors of this invention found that this relationship is poor in predictive accuracy.

[0175] Other models can utilize the disclosed content: Method for Predicting Odor Intensity of Perfumery Raw Material Using Dose-Response Curve Database - KAO CORP - Hideki Wakayama, Mitsuyoshi Sakasai, Keiichi Yoshikawa, and Michiaki Inoue, Ind. Eng. Chem. Res., 58, 15036-15044, 2019. This disclosure provides dose-response curves for 314 spice raw materials.

[0176] In a further embodiment, a range or set of minimum sensory intensity levels is selected, which is not necessarily the same for all components in the composition. In such an embodiment, steps 210 and 215 can be performed for each value in the selected set of values ​​or for the boundaries of the selected range of values, as described below.

[0177] In a particular embodiment, the method 200 of the present invention includes the step of setting (not shown) a value representing the amount of liquid phase of an ingredient applied to the body of an applicator, for example by means of a sprayer connected to the surface area to which the ingredient is applied (and thus located at the fragrance source).

[0178] Such setup steps can be performed in a manner similar to selection step 205. In such an embodiment, the gas phase concentration of the compound is associated with the liquid phase quantity through equations governing transport phenomena, including momentum conservation equations (e.g., Reynolds-averaged Navier-Stokes equations for handling turbulence) and mass conservation equations, which can be calculated and stored in electronic memory, as described in more detail below.

[0179] Step 240 is performed, for example, by a computing system configured to execute a computer program that calculates a value representing the gas phase concentration corresponding to the selected minimum sensory intensity level based on parameters of a mathematical formula describing the dose-response curve.

[0180] In a particular embodiment, the object of method 200 of the present invention includes the step of accessing a database of mathematical parameters of dose-response curves (not shown), representing key parameters of the mathematical formulas describing the dose-response curves. In such embodiments, these mathematical parameters are used during the determination step.

[0181] Calculation step 210 is performed, for example, by software executed via a computing system. This software may execute an algorithm that correlates the requested perceptual psychophysical intensity (sensory intensity) of an ingredient in the fragrance trail with the maximum spatial dilution of said ingredient in the fragrance trail. For fragrance compositions, the algorithm also uses values ​​for fragrance ingredients representing a selected time during the drying process (time elapsed from perfume application to the applicant), such as the weight fraction of the ingredient, and optionally, values ​​representing the activity coefficient of a given fragrance ingredient.

[0182] For example, in this calculation step 210, the following mathematical formula can be used:

[0183] y = 5.1696x 2 + 13.507x

[0184] in:

[0185] -y corresponds to the dimensionless dilution factor, which is the ratio of the maximum headspace concentration at zero distance (at the liquid-air interface of the fragrance) to the maximum headspace concentration at a distance x from the fragrance source.

[0186] -x represents the distance (in centimeters) from the fragrance source in the scaled-down model, exhibiting geometric similarity to a human body scale system with an airflow rate of 1 m / s.

[0187] In the context of this invention, "maximum total dilution" is also called "odor dilution capacity" (ODC), which refers to the ratio of the equilibrium (saturated) gas phase concentration (or evaporation) of an ingredient at a given temperature to the gas phase concentration of that ingredient, corresponding to the minimum sensory intensity level required by that ingredient. The higher the maximum total dilution value or ODC of an ingredient, the greater its tolerance to spatial dilution; therefore, for a given liquid phase dilution, the ingredient can be perceived at or above a specified minimum sensory intensity level from the fragrance source. Equivalently, to be perceived at or above the minimum sensory intensity level from a fixed distance from the fragrance source, the higher the ingredient's ODC, the greater its dilution in the liquid phase.

[0188] For a single (pure) ingredient, the maximum spatial dilution is the same as the maximum total dilution (i.e., ODC as defined above), and it is a function of the perceived expected intensity level of the ingredient. For ingredients that are part of a mixture, such as a fragrance composition, the maximum spatial dilution is calculated from the maximum total dilution using the relative dose of the ingredient in the composition at a selected drying time (time elapsed since the fragrance was applied to the applicator), such as its weight fraction, and optionally an activity coefficient (e.g., calculated from UNIFAC, Modified UNIFAC Dortmund, or a similar activity coefficient model) to account for any non-idealities of the mixture, as appropriate.

[0189] The step of calculating at least one value representing the distance (spatial) range of the component 215 is performed, for example, by software executed by a computing system using an algorithm that correlates spatial dilution with the downstream distance from the applicator (or fragrance source) in the trace.

[0190] Such an algorithm can be constructed by those skilled in the art through empirical measurements of the gaseous concentration of the component at a predetermined distance from the source of the component, located at its gas-liquid interface, such as on the skin of an applicator, for determining the airflow intensity that transports the gaseous component from the source (gas-liquid interface) location to the sensor location. Alternatively, these values ​​can be obtained from measurements of the wind tunnel experiment type.

[0191] Alternatively, a Gaussian plume model borrowed from environmental engineering could be used to construct an algorithm that correlates spatial dilution with the distance downstream of the source through a highly approximate estimation method. However, such models are intended for application to larger length scales, such as miles or kilometers, those related to the transport of environmental pollutants, and do not address the strong turbulent gas-phase mixing caused by airflow around the human body, a fundamental characteristic of fragrance trails.

[0192] Alternatively, in a preferred embodiment, the algorithm that correlates spatial dilution with downstream distance from the source can be a product of digital modeling, such as in... Figure 6 The context described above. In such an alternative, the spatial (gas phase) dilution factor value for a given (selected) amount of fragrance applied, or equivalently, for the surface area on which the fragrance is applied to a specific part of the body, is related to the value of the downstream distance from the fragrance source.

[0193] In a simplified embodiment, this relationship between spatial dilution and downstream distance from the fragrance source is achieved by mapping the downstream distance from the applicant to a table of spatial (gas phase) dilution, which quantifies the reduction in the gas phase concentration of the component relative to the saturated gas phase concentration at the liquid-gas interface (at the source). For example, depending on a specific incident gas flow velocity and the surface area on which the fragrance is applied to the body, a distance of one meter may be associated with a reduction in the interfacial gas phase concentration of at least 30 times, two meters with a reduction of at least 65 times, and three meters with a reduction of at least 100 times.

[0194] Knowing the maximum spatial dilution that can be applied to an ingredient (pure or in a fragrance composition) while maintaining its perceived level at or above a selected minimum sensory intensity level, calculation step 215 determines the maximum downstream distance from the applicator where the minimum sensory intensity level is met.

[0195] In a particular embodiment, for example Figure 2 In the embodiment shown, calculation step 215 includes retrieving from electronic memory 220 at least one value representing the minimum spatial dilution of a component in the gas phase, the value corresponding to a predetermined downstream distance from the fragrance source, the value being used to calculate the maximum downstream distance from the fragrance source at which the component exhibits at least the selected minimum sensory intensity level.

[0196] Retrieval step 220 is performed, for example, by a communication medium commanded by the network interface card (NIC) of the computing system. This communication medium could be an antenna or a wired link connected to a communication network (e.g., the Internet). Alternatively, the electronic storage device is an electronic storage device connected to or part of the computing system, such as a hard disk drive.

[0197] During this retrieval step 220, the computing system establishes a connection to the electronic memory to retrieve the requested value. This downstream distance as a function of spatial dilution is then used in the computation step 215.

[0198] In a particular embodiment, for example Figure 2The embodiment shown illustrates that the object of method 200 of the present invention includes, prior to retrieval step 220, constructing step 225 of a minimum spatial dilution electronic memory, said construction step matching the minimum spatial dilution value to a value at least one distance from the fragrance source, and having at least one of the following indicators:

[0199] - An indicator of the incoming airflow rate into the fragrance source containing the stated ingredients.

[0200] - An indicator representing the surface area of ​​an ingredient or fragrance composition upon which it is applied.

[0201] - Indicators representing simulation parameters of the human body shape, and / or

[0202] - An indicator showing the area on the human body where the ingredient or fragrance composition is applied.

[0203] The construction steps include a computational fluid dynamics simulation step 230, which is configured to calculate the spatial dilution value at a predetermined downstream distance from the source.

[0204] The construction step 225 can be performed by a computing system running computational fluid dynamics simulation software to build a model based on multiple input parameters, including the specific dimensions of the human body and approximate but realistic geometric details. Step 230 of performing computational fluid dynamics calculations is then performed to post-process and analyze the raw data obtained from the calculations, thereby reducing the data dimension from 3D to 1D (distance), and storing the calculated values ​​in electronic memory.

[0205] For example, such geometric details of the human body could be the position of the head or the size and shape details of the head, torso, or arms.

[0206] Step 230 of the computational fluid dynamics simulation uses, for example, Menter's shear stress transport turbulence model. To make the simulation tractable, it is best performed on a stationary grid, whereby air preferably moves at an average velocity of interest (e.g., an average walking speed of 1.4 m / s) and an incident direction on the front of the body (e.g., the outward normal direction of the back of the body, or equivalently, the direction opposite to the outward normal direction of the front plane of the body (e.g., the chest), while the body remains stationary. First, based on the aforementioned turbulence model, the spatial airflow velocity distribution around the body in three dimensions is calculated, also known as the airflow velocity vector field. Then, fragrance transport in the air is simulated in three dimensions, taking into account convection (using the pre-calculated airflow velocity vector field from the three dimensions in the previous step) and diffusion (including turbulent diffusivity) over multiple predetermined fragrance application surface areas and the application location of the fragrance on the body, selecting a representation of realistic consumer habits for fragrance application.

[0207] The simulation environment associated with the computational fluid dynamics simulation 230 can be considered as Figure 12 The illustration is shown in the figure. In this oversimplified scale model of the fragrance trace 1234, the fragrance source 1233 is located on the top surface (3 square centimeters in the example below), and the model 1234 is located inside the tube 1232, wherein the airflow is directed to the model 1234 in a direction aligned with the axis of symmetry of the tube, without the use of any upstream mixing device that causes vortices, such as a fan.

[0208] exist Figure 12 The output of such a step in a computational fluid dynamics simulation 230 in an environment is, for example:

[0209]

[0210] Figure 14 Chart 1400 is shown schematically, and it displays:

[0211] - Curve 1405 represents the result of the computational fluid dynamics modeling simulation.

[0212] - The actual measured value in real life is 1410, similar to the system modeled by curve 1405.

[0213] - In x-axis 1420, the distance (in centimeters) from the liquid-gas interface of the chemical compound and

[0214] - In y-axis 1415, the gas phase concentration (µg / L) of the chemical compound.

[0215] Figure 6 The diagram schematically illustrates the results of this step in computational fluid dynamics simulation 230, where:

[0216] - Reference numeral 605 indicates the airflow velocity projected onto a mannequin 610, which is coated with a predetermined application surface area and an ingredient or fragrance composition at a designated location on the body.

[0217] - The reference numerals 615, 620, and 625 in the attached figures represent contour lines, which are contour lines depicting a constant gas phase concentration selected from the calculated range of values. The first contour line 615 represents the highest gas phase concentration, the second contour line 620 represents the intermediate gas phase concentration, and the third contour line 625 represents the lowest gas phase concentration among the values ​​represented by the selected contour lines.

[0218] Alternatively, these contour lines 615, 620, and 625 can specify contour lines for a constant spatial dilution factor selected from the range of calculated values. The dilution factor is calculated by dividing by the maximum gaseous concentration of the ingredient, which is the interfacial concentration of the selected fragrance ingredient (in other words, its saturated gaseous concentration at a given temperature, relating to its vapor pressure, or, if it is part of a liquid mixture, its partial vapor pressure, according to the ideal gas law at the same temperature), at position 630 on the body where the ingredient is applied, by the gaseous concentration at a specific spatial coordinate considered within the fragrance trail.

[0219] from Figure 6 It can be clearly seen that the gaseous fragrance concentration and associated spatial dilution (equivalently, the spatial dilution factor) in the trace exhibit complex spatial variations, which are substantial and nonlinear in the downstream direction of the human model. Similarly, complex spatial variations in gaseous concentration and associated spatial dilution factor also exist perpendicular to the direction of the incoming airflow (i.e., perpendicular to...). Figure 6 On the cross-section (not shown) of the plane shown. At each downstream distance of the human model, the maximum vapor-phase fragrance concentration (equivalent to the minimum vapor-phase dilution factor) can be extracted from the complete 3D solution. The result of this method is a practical and tractable interpretation of fragrance trails based on a one-to-one relationship between the vapor-phase (spatial) dilution in the trail and the downstream distance of the person applying the fragrance.

[0220] This analysis can be performed on different components or fragrance locations on the body, such as, but not limited to, the neck, shoulders, or both. This analysis can be performed on different surface areas of the body's components or fragrance compositions. This analysis can also be performed at different air intake velocities.

[0221] The performance of a fragrance composition, whether associated with its trace or other performance attributes that may be defined in the prior art, is typically considered in terms of the olfactory performance measures of its components.

[0222] In the prior art, odor value has always been the de facto standard olfactory performance measure of odor compounds, used for performance-based ingredient selection and for evaluating the performance of ingredients in formulations.

[0223] The odor value of an odor component is defined as the dimensionless ratio of its evaporability, which is the equilibrium (interfacial) gas phase concentration under saturation (typically within a temperature range of 20–40°C, but other temperatures can also be used), and its odor detection threshold (ODT), which is the lowest gas phase concentration of the component that the human nose can detect: Odor value = c g,interf / c g,ODT , where c g,interfIt is the interfacial gas phase concentration (or its vapority) of the component under saturated conditions, which can be derived from the ideal gas law and vapor pressure (for the pure component) or partial pressure (for the component in the composition), c g,ODT It is the ODT as described above.

[0224] There are two shortcomings in using odor value as an indicator of fragrance performance.

[0225] First, because odor values ​​are based on odor detection thresholds, any ingredient performance metric based on odor values ​​only requires that the ingredient be present in the gas phase at least at its odor detection sensory level, but does not predict whether the ingredient will elicit a strong or weak perception at the actual use level of the fragrance consumer product. Therefore, while such odor detection standards are necessary, they are insufficient to design fragrance products with ideal performance that meets or exceeds consumer expectations. Due to the inadequacy of potential sensory perception standards, odor-based performance metrics exaggerate ingredient performance, including in formulations (compositions), and imply that the ingredient can be used in lower amounts than actually needed to provide the desired level of sensory performance (e.g., certain minimum sensory intensity or recognition).

[0226] Secondly, when comparing the performance of different ingredients, performance indicators based on odor values ​​cannot predict the relative performance of ingredients at perceived intensity, and are usually related to the fragrance performance required in various consumer product applications. Figure 1 This is illustrated using dose-response curves for α-damascone and δ-damascone, where a crossover of relative performance was observed as the gas phase concentration increased from the detection level (ODT) to a moderate intensity level. In other words, under real-world conditions of consumer application and use of fragrance, olfactory dose-response characteristics describe the sensory performance of odor components more accurately and reliably than odor detection thresholds (or odor values ​​based on detection thresholds). The extent of overestimation due to the use of odor-value-based performance metrics will be explained below.

[0227] In the method objective of this invention, the performance of the components in a fragrance composition is associated with their spatial range in the trace, defined as the maximum downstream distance from the fragrance applicator at which the minimum required sensory intensity of the component is achieved, by defining and evaluating the odor dilution capacity (ODC) of the component, which, unlike odor values, is defined based on real-world sensory performance standards related to consumer fragrance application and consumer use of the fragrance product.

[0228] The odor dilution capacity of an odor component can be defined as c. g,interf / c g (Iref), where c g,interf It is the interfacial vapor phase concentration (mathematically related to vapor pressure) of the pure component at saturation at a selected fixed reference temperature, c. g(Iref) is the gas phase concentration of an ingredient at the lowest sensory intensity level Iref, which is selected based on the specific requirements of the ingredient or fragrance performance in a given consumer product (i.e., a specific sensory intensity may be linked to, for example, the identification of an ingredient or fragrance ingredient). Figure 7 The definition of ODC is explained, and the difference between the ODC 725 method of the present invention and the classical odor value 726 method of the prior art is graphically shown on an example dose-response curve.

[0229] Figure 7 A graphical representation of the ODC 725 value of delta damascone based on the selected minimum sensory intensity level of 145 is shown.

[0230] It should be noted that the ODC metric can be easily adjusted to suit the sensory performance requirements of a specific consumer product application by changing the Iref standard, which is the minimum sensory intensity required for a given consumer product application or a given ingredient. On the other hand, this capability is not possible with existing odor value methods, as the only level of sensory performance obtainable through this method is odor detection. Therefore, odor values ​​employ the most flexible sensory performance standard possible to quantify the performance of fragrance ingredients, thus significantly exaggerating the performance of fragrance ingredients, whether pure fragrances or compositions.

[0231] Figure 11 The diagram schematically illustrates the vapority of a limited number of components on the x-axis (1105) and the y-axis representing the range of component visibility, which are correlated with the distance at which the components will be perceived (from the fragrance source), and are categorized as follows:

[0232] - Close to the skin (or close to the source or base) 1111,

[0233] -Aroma Atmosphere (maximum 0.5 meters from the source) 1112

[0234] - Trail (maximum 4 meters from the source) 1113 and

[0235] - Room filling (more than 4 meters from the source) 1114.

[0236] Figure 11 The liquid phase fraction (liquid phase dilution) of each component shown has been selected to produce the same level of recognition 1110 (y-axis), which is calculated based on ODC performance metrics, such as those disclosed in this application. Figure 11 Each vertical line in the diagram represents a component, and vertically connects the identification level 1110 of the component determined according to the ODC performance index with the identification level of the component determined according to the odor value performance index of the prior art, for example indicated by marked dots 1121~1133.

[0237] Figure 11 Existing odor-value-based metrics significantly overestimate the recognizability (distance range) of a large number of fragrance components without any specific pattern, indicating a significant flaw in existing methods and the odor-value concept that rely on odor detection. Because odor-value-based metrics only refer to odor detection, they typically severely overestimate the spatial range (recognition) of components, in contrast to the ODC metric disclosed in this invention, which links the dose-response characteristics of components to a limited perceived intensity linked to traces and real-world conditions of consumer use.

[0238] The table below indicates Figure 11 Some of the components in the diagram, whose spatial performance in terms of spatial recognition is greatly overestimated by methods currently known in the art.

[0239]

[0240] The computational fluid dynamics simulations discussed above correlate the downstream distance in a perfume applicator's trail with the gas-phase (spatial) dilution of the fragrance components or fragrance composition emitted from a walking person, thereby obtaining realistic fragrance application parameters and fragrance usage related to consumer application habits. Therefore, by combining information about the fragrance composition (e.g., the relative amounts of building blocks) at a given time after application to the applicator with the ODC values ​​of those building blocks, the sensory performance of the fragrance at the required distance in the trail can be predicted from this relationship between distance and spatial dilution, which is calculated for any combination of ideal fragrance application parameters.

[0241] Therefore, once a minimum sensory intensity level standard is selected, the corresponding maximum gas-phase dilution of a fragrance ingredient that meets that sensory standard allows for the estimation of the spatial range of said ingredient in the trace (i.e., the maximum downstream distance from the fragrance applicator that meets the sensory standard). While such maximum gas-phase dilution of a fragrance ingredient can be obtained from prior art odor value measurements, which use only odor detection rather than identification or specific sensory intensity as a sensory standard for performance, odor value measurements exaggerate ingredient performance and cannot predict relative ingredient performance at sensory intensities associated with actual consumer fragrance application and product usage habits. Therefore, most preferably, and as a significant improvement over the prior art, the maximum gas-phase dilution of the fragrance ingredient is obtained from the odor dilution capability measure of the present invention, which utilizes actual sensory intensities encountered in consumer product applications, correlated with consumer fragrance application and usage habits, as a sensory standard for targeted fragrance performance.

[0242] To calculate ODC, sensory dose-response characteristics can be provided as parameters of a mathematical expression describing sensory intensity, as a function of gas phase concentration, necessary for the components of the fragrance formulation, and the vapor pressure or evaporation of these components and the desired sensory intensity level Iref as a sensory criterion for the minimum sensory performance level (which may be associated with identification or recognition threshold in some specific embodiments), where Iref can be selected from a set of values, or even set individually for each component.

[0243] Olfactory dose-response data for approximately hundreds of odor components have been made public in the public domain by Kao Corporation, to name just one known example, such as the one disclosed above.

[0244] Vapor pressure can be obtained from physical property databases, such as, but not limited to, DIPPR (American Institute of Chemical Engineers), Dortmund Database (DDBST GmbH), PHYSPROP (Syracuse Research), or DETHERM (DECHEMA), or by using free software prediction tools, such as, but not limited to, EPISuite (U.S. Environmental Protection Agency).

[0245] In certain embodiments, for example Figure 2 The embodiment shown in the invention includes the following steps: setting 245 to represent a value for the drying duration of an ingredient or a composition containing the ingredient (i.e., the time elapsed from the initial application of the product to the applicator), and calculating 215 a value representing the distance from the fragrance source as a function of the drying duration.

[0246] This value can typically be set in the range of 0 to 360 minutes, but can be extended to any length of time related to the lifespan of the fragrance in the consumer product of interest.

[0247] The setup step 245 can be performed manually or automatically on a computer interface. For example, in a particular embodiment, the setup step 245 is performed by an operator using a mouse and / or keyboard to input the desired drying duration of the components on a GUI of software running on a computing system.

[0248] The set time represents the duration during which an ingredient evaporates from the liquid phase to the gas phase, and this ingredient is carried away from the fragrance source by an airflow. The amount of a given ingredient in the air can be determined using evaporation kinetics formulation, depending on the drying duration.

[0249] The duration of drying can decrease or increase the maximum gaseous concentration at the location of an ingredient in a fragrance composition, depending on the evaporability of that ingredient as well as the evaporability and relative amount of other ingredients in the fragrance composition. For ingredients with high evaporability in a fragrance composition, such as top notes and certain middle (heart) notes, the gaseous concentration and corresponding spatial range will monotonically decrease as the fragrance is applied to the applicant. However, for ingredients such as base notes with low or minimal evaporability in the composition, their relative contribution to the formulation actually increases with the time of fragrance application, as more evaporative ingredients leave the formulation, also increasing the gaseous concentration and test performance of these low-evaporative ingredients.

[0250] In a particular embodiment, for example Figure 2 As illustrated in the embodiment, the objective of the method 200 of the present invention includes the step of enriching a database of 250 component digital identifiers.

[0251] This enrichment step 250 is performed, for example, by a computing system executing software configured to determine the change in perceived intensity anchored around a desired level of sensory intensity as a function of a predetermined spatial component dilution factor (ratio). The change in perceived intensity resulting from the dilution ratio of a particular component in the gas phase is defined herein as "dilution resistance," and the result of this calculation is preferably stored in an electronic memory corresponding to a component's numerical identifier.

[0252] The dilution resistance of an ingredient is calculated based on changes in perceived intensity, such as a gas phase dilution of 20 times near a selected minimum perceived intensity level, but it is not limited to this specific gas phase dilution factor and can be adjusted according to the intended consumer use and / or product form of the fragrance product.

[0253] In a particular embodiment, for example Figure 2 In the illustrated embodiment, the step of enriching the 250-ingredient digital identifier database is configured to identify and store additional relevant ingredient performance metrics based on calculated dilution resistance (denoted as "ΔI" if the dilution factor is 20, or as a specific example, "□I20X") and ODC values ​​associated with various minimum sensory intensity levels. These metrics can be derived from already described performance metrics and can also integrate other ingredient information, such as cost. Enriching the digital ingredient identifier database in this way has practical benefits for intelligent fragrance design, guiding selection and dosage optimization based on ingredient performance in trials and other fragrance-design-related attributes, such as cost. This leads to improvements in consumer products containing such fragrances.

[0254] Figure 3 The specific sequential steps of the method for which this invention is intended are shown. The spatial recognition prediction method 300 for fragrance ingredients or compositions prepares a fragrance composition comprising the fragrance ingredients or compositions, including the following steps:

[0255] - On the computer interface, select 305 to represent the distance value, which is within a range of at least two different values ​​and is the maximum downstream distance from the fragrance source. At this distance, the component exhibits the psychophysical intensity of the minimum sensory intensity level corresponding to a predetermined minimum value.

[0256] - Retrieve from electronic memory the minimum spatial dilution value associated with the selected distance for 310.

[0257] - The calculation system determines the gas phase concentration value of the component corresponding to the retrieved spatial dilution value by 340, and

[0258] - For the selected distance value, at least one value of 315 representing the sensory intensity level is calculated by the calculation system as a function of the dose-response curve that links the gas phase concentration to the sensory intensity level.

[0259] The selection step 305 can be performed manually or automatically on the computer interface in question. For example, in a particular embodiment, the selection step 305 is performed by a human operator using a mouse and / or keyboard to input the maximum distance required for the ingredient on the GUI of software running on the computing system.

[0260] The maximum selectable distance should correspond to the maximum spatial extent of the component in the trace downstream from the applicator, within which the minimum sensory intensity criterion is met. Selecting a distance greater than this maximum value will result in a violation of the specified minimum sensory intensity criterion.

[0261] In a particular embodiment, the method 300 of the present invention aims to include, in addition to the selected distance, setting (not shown) a value representing the amount of liquid phase of the component. Such a quantity is the absolute amount of liquid product applied to the applicator and is used to determine the maximum selectable distance for each component against a specified minimum sensory intensity standard.

[0262] Such setup steps can be performed in a manner similar to selection step 305. Retrieval step 310 is performed, for example, by software executed by a computing system, which uses an algorithm that correlates distance with spatial dilution.

[0263] In this document, "maximum total dilution," also known as ODC as defined above, preferably refers to the difference, quantified as a ratio, between the maximum (saturated) gaseous concentration (or evaporability) of the component at a given temperature and the gaseous concentration corresponding to the selected minimum sensory intensity level. A higher maximum total dilution value (or ODC) indicates greater robustness of the component to spatial dilution, and therefore, for a given amount of liquid phase applied to the applicator, the component can be perceived from a greater distance at the selected minimum sensory intensity.

[0264] The determination step 340 is performed, for example, by a computing system configured to execute a computer program. During this determination step 340, the results of a model that associates distance with dilution are used, for example, regarding... Figure 6 The results obtained from the description are used to obtain the gas phase concentration or gas phase concentration change.

[0265] In embodiments that include the step of setting an initial liquid phase volume, the evaporability of a given component at different times during the drying process (i.e., the time elapsed from when the component is applied to the applicator) can be calculated using the evaporation rate of the relevant liquid phase. The relationship between evaporation rate and evaporability can be obtained through empirical measurement or by using computational fluid dynamics simulations and subsequent construction of an electronic memory, for example, of the evaporation rate of the pure component at a temperature of interest.

[0266] The step of calculating 315, representing at least one value of the sensory intensity level, is performed, for example, by software executed by a computing system using an algorithm that correlates gas phase concentration with the sensory intensity level. Such a calculation step 315 can determine the perceived sensory intensity level using the dose-response curve of the component or parameters of a mathematical formula representing the dose-response curve.

[0267] It should be understood that Figure 3 Implementation examples may include Figure 2 All variations of the embodiments, particularly those related to the steps of retrieving 220, constructing 225, computational fluid dynamics simulation 230, determining 245 a value representing the drying duration, enriching 250 the database, calculating 255 and / or constructing 260 dilution resistance values.

[0268] Figure 4 The specific sequential steps of the method for which this invention is intended are illustrated. The fragrance composition spatial recognition prediction method 400 prepares a fragrance composition comprising the fragrance ingredients or composition, including the following steps:

[0269] - Select at least two ingredient numerical identifiers (405) on the computer interface to form the fragrance source.

[0270] - On the computer interface, setting 410 represents the value of the relative amount of at least one of the components identified by the numerical identifier.

[0271] - On the computer interface, select 205 to represent the minimum required sensory intensity level, corresponding to the expected predetermined minimum psychophysical intensity of at least one component. This value is selected from a range of at least two distinct values. Preferably, components without explicitly defined sensory intensity are assigned a default value, such as the minimum of all specified intensity levels of all other components present in the composition.

[0272] - The minimum gas phase concentration of each of the components, represented by 240, corresponding to the selected minimum sensory intensity level, is determined by a calculation system as a function of a dose-response curve that correlates the gas phase concentration with the selected minimum sensory intensity.

[0273] - The maximum total component dilution of the fragrance in both the gas and liquid phases is calculated using a computational system, as a function of the determined minimum gas phase concentration for each of the stated components, and

[0274] - The calculation system calculates at least one value representing the distance from the fragrance source, up to the maximum distance from the fragrance source, at which at least one component exhibits at least a minimum sensory intensity level, selected as a function of the calculated maximum total component dilution.

[0275] Step 405 can be performed manually or automatically on the computer interface in question. For example, in a particular embodiment, step 405 is performed by a human operator using a mouse and / or keyboard to input the maximum distance required for the ingredient on the GUI of software running on the computing system.

[0276] Such selection step 405 may include direct selection, such as selecting an ingredient identifier as shown on the interface, or indirect selection, such as selecting an ingredient identifier through an intermediate digital object, such as an image or icon representing the identifier.

[0277] The setup step 410 can be performed manually or automatically on the computer interface under consideration. For example, in a particular embodiment, the setup step 410 is performed by an operator using a mouse and / or keyboard to input the maximum distance required for the ingredients on the GUI of software running on the computing system.

[0278] The selected relative amount can represent the mass fraction or mole fraction of the fragrance ingredients.

[0279] Thus, to predict the performance of a fragrance composition in testing by its components, the law of mixtures (the most common example of the law of mixtures is Raoult's law for ideal mixtures) is applied to the ODC of each component. The reasoning is as follows: the ODC performance index provides the maximum total dilution of the components while maintaining sensory performance levels at or above a selected minimum sensory intensity level. The maximum total dilution described by the ODC includes dilution in the liquid phase (i.e., defined by the relative amount of each component in the fragrance composition) and dilution in the gas phase. Dilution in the liquid phase is calculated by multiplying the ODC of the component by its mass fraction (also called weight fraction) in the composition (or, more strictly correct but less conveniently, by its mole fraction). This is because, in a fragrance composition, since the components are now part of a mixture, the equilibrium (maximum) interfacial gas phase concentration (or, mathematically, vapor pressure) of the components as part of the ODC definition becomes partially evaporative (or, mathematically, partially vapor pressure), and this component (including partially evaporative or partially vapor pressure) is calculated by combining the relative amounts of the components present in said mixture according to the law of mixtures. Using Raoult's law as the most basic yet practical way to describe the mixing of fragrance components is the most fundamental approach. In more advanced implementations, the ODC of each component in the fragrance composition is also multiplied by an activity coefficient, a quantity well-known to those skilled in the art of thermodynamics, physical chemistry, chemistry, chemical engineering, or related fields. The activity coefficient of each component is a correction factor for Raoult's law (ideal) in describing the mixture, describing the deviation of the vapor-liquid equilibrium behavior of a real and potentially non-ideal mixture from that of an ideal mixture. By definition, the activity coefficient of a component in an ideal mixture is equal to a unit (1). The activity coefficient of a component in a non-ideal mixture can be calculated using sophisticated algorithms known in the art, including but not limited to UNIFAC or modified UNIFAC.

[0280] Thus, the component properties in the formulation calculated by method 400 of the present invention produce the maximum permissible gas-phase (spatial) dilution of the fragrance components in relation to the distance from the fragrance source, while meeting or exceeding the minimum sensory performance standards for all components. Figure 1 (The "Iref" in the description).

[0281] Figure 8 A graphical representation of a user interface 800 that provides the measurements and analyses disclosed in the above description is shown. Such an interface 800 can be used to assist users in fragrance design.

[0282] In this interface 800, the components 820 in the composition are ordered by increasing their evaporability 830 on the x-axis. The y-axis displays the spatial range 825 of the components in a manner that reveals three different component behaviors:

[0283] - The first row is 805, corresponding to the perceptible ingredient, at the selected minimum perceptible intensity level, close to the skin where the fragrance ingredient or composition is applied, typically within 5-10cm of the skin.

[0284] - The second line, 810, corresponds to the perceptible components. At the selected minimum perceptible intensity level, in the aroma atmosphere, the aroma atmosphere typically indicates a distance of at least 5-10 cm from the fragrance source, but usually less than 50 cm, and certainly less than 1 meter.

[0285] - The third row is 815, corresponding to the perceptible component, in the trace at the selected minimum perceptible intensity level, the trace represents a distance of at least 1 meter from the fragrance source, more preferably up to 2 meters for some components, more preferably up to 4 meters for some components, and most preferably more than 4 meters for some components, the latter performance level is classified as "room filling", which is a special case of the highest achievable trace performance.

[0286] It should be noted that the optimal performance of all ingredients may not be the same in terms of distance, which may depend on their olfactory descriptors and / or the olfactory families they belong to. The method of this invention aims to allow those skilled in the art of fragrance to predict the performance of fragrance ingredients, including in fragrance compositions, and to facilitate intelligent fragrance optimization to achieve optimal or desired performance levels.

[0287] In terms of technical performance, the higher the position of a component on the y-axis, the more robust it is in terms of spatial range or the maximum downstream distance that can be perceived at the minimum required level of sensory intensity.

[0288] This interface 800 represents a given time in the drying process, which is the duration since the fragrance was applied to the applicant. The data in this interface 800 can be used to calculate several durations to show the effect of time on the composition's properties.

[0289] In a particular embodiment, for example Figure 4 In the embodiment shown, at least one ingredient digital identifier is associated in computer memory with a descriptor representing the scent of the corresponding ingredient, wherein the method further includes the step of providing 415 at least one optional ingredient digital identifier as a function of at least one descriptor associated with said selected ingredient digital identifier on a computer interface, as a way to optimize the performance of the fragrance composition.

[0290] For example, a descriptor can represent an olfactory family of ingredients. During step 415, a calculation is performed, for example, by a computing system, to select an ingredient identifier that is different from the selected ingredient identifier, the selected ingredient identifier having at least one descriptor that matches at least one descriptor of the selected ingredient identifier.

[0291] After performing this calculation, the results can be displayed on a computer interface to assist in fragrance design.

[0292] In a particular embodiment, for example Figure 4 In the embodiment shown, step 415 is implemented as a function of at least one descriptor associated with the selected ingredient digital identifier and a calculated value representing the maximum downstream spatial distance of the ingredient digital identifier.

[0293] Therefore, preferably, based on the dose-response characteristics of the components, the alternative component identifiers are sorted according to their dilution resistance, ODC, or any other performance metric or a combination of such performance metrics.

[0294] For example, if the fragrance composition to be optimized contains osylol, which describes a sandalwood scent in terms of olfactory character, then potential alternatives retrieved and presented to the user by the computational system performing the method of the present invention would include such ingredients in the sandalwood family, such as bacdanol, javanol, sandela, ebony, sandalore, and polysantol, listed here in no particular order. These ingredient substitution options would be displayed via a user interface in tabular or graphical form, arranged in the order of the performance indicators disclosed herein.

[0295] Figure 5 The specific sequential steps of the method for which this invention is intended are illustrated. The fragrance composition spatial recognition prediction method 500 prepares a fragrance composition comprising the fragrance ingredients or composition, including the following steps:

[0296] - On the computer interface, select at least two numerical identifiers for the ingredients that constitute the fragrance source (405).

[0297] - On the computer interface, setting 410 represents the value of the relative amount of at least one of the components identified by the numerical identifier.

[0298] - On the computer interface, select 305 to represent a distance value that is within a range of at least two distinct values ​​and is at most the maximum downstream distance from the fragrance source, at which at least one component exhibits a minimum psychophysical intensity corresponding to a pre-determined value for each of the components.

[0299] - Retrieve from electronic memory the minimum spatial dilution value associated with the selected distance for 310.

[0300] - The calculation system determines 340 to represent the gas phase concentration of at least one of the components corresponding to the retrieved spatial dilution value, and

[0301] - For a selected distance value, at least one value representing the sensory intensity level is calculated by the calculation system as a function of the dose-response curve that links the gas phase concentration to the sensory intensity level.

[0302] Selecting step 405 and setting step 410 are similar to the steps about Figure 4 The corresponding steps are made public.

[0303] The selection step 305, retrieval step 310, and calculation step 315 are similar to those regarding... Figure 3 The corresponding steps are made public.

[0304] like Figure 4 and Figure 5 The visualization of the fragrance compositions shown allows those skilled in the art of perfumery (e.g., perfumers) to easily identify the composition's weaknesses and strengths in terms of olfactory impact, such as which olfactory notes dominate at different times during the drying process, and the inherent olfactory properties of the components used in the composition, such as their long-range performance in terms of spatial extent in the trace. This visualization also allows those skilled in the art to identify olfactory tone or tonal continuity, olfactory contrast blocks of components in the composition, and potential weaknesses in the formulation (e.g., evaporability) from the perspective of the physicochemical properties of the constituent components, along with their olfactory characteristics.

[0305] Figure 9 The specific sequential steps of the method for which this invention is intended are illustrated. This ingredient digital identifier database enrichment method 900 includes the following steps:

[0306] - Select the 905 component number identifier through a computing system or computer interface.

[0307] - Calculate at least one of the following indicators for 910 using the calculation system:

[0308] - An indicator representing the spatial extent of an ingredient associated with a numerical identifier of the ingredient, as a function of the minimum perceived intensity level requested by the ingredient, wherein the minimum perceived intensity level is preferably selected during the step of selecting the minimum perceived intensity level, optionally as a function of the dose-response characteristics of the ingredient, optionally as a function of the relative amount of the ingredient in the fragrance composition, and optionally as a function of a dilution factor related to a given distance from the applicator for different parameters of fragrance application (e.g., walking speed, amount of liquid fragrance applied, and location on the body where it is applied), wherein the dilution factor is preferably retrieved during the step of retrieving the dilution factor from a dilution factor database, which is preferably constructed during a construction step including a computational fluid dynamics simulation step.

[0309] - An indicator representing the perceived intensity of an ingredient associated with a numerical identifier of the ingredient, as a function of distance from the ingredient, wherein the distance is preferably selected during the step of selecting the distance, optionally as a function of the dose-response characteristics of the ingredient, optionally as a function of the relative amount of the ingredient in the fragrance composition, and optionally as a function of a dilution factor related to a given distance from the applicator for different parameters of fragrance application (e.g., walking speed, amount of liquid fragrance applied, and location on the body where it is applied), wherein the dilution factor is preferably retrieved in the step of retrieving the dilution factor from a dilution factor database, which is preferably constructed in a construction step including a computational fluid dynamics simulation step.

[0310] - An indicator representing the relative amount of an ingredient associated with an ingredient numerical identifier, as a function of the desired spatial range of the ingredient from the fragrance source, optionally as a function of the minimum perceived intensity level requested by the ingredient, wherein the minimum perceived intensity level is preferably selected during the step of selecting the minimum perceived intensity level, optionally as a function of the dose-response characteristics of the ingredient, and optionally as a function of a dilution factor related to a given distance from the applicator for different parameters of fragrance application (e.g., walking speed, the amount of liquid fragrance applied, and the location on the body where it is applied), wherein the dilution factor is preferably retrieved during the step of retrieving the dilution factor from a dilution factor database, which is preferably constructed in a construction step including a computational fluid dynamics simulation step, and / or

[0311] Optionally, an indicator representing the dilution resistance of the component associated with the component's numerical identifier is provided, the indicator being calculated as a function of the difference in perceived intensity between the nominal perceived intensity and the perceived intensity at a predetermined dilution factor.

[0312] - Store the value of at least one calculated indicator corresponding to the component number identifier of 915.

[0313] Figure 10 The specific sequential steps of the method for which this invention is intended are shown. The spatial recognition prediction method 1000 for fragrance ingredients or compositions is used to prepare a fragrance composition comprising the fragrance ingredients or compositions, and includes the following steps:

[0314] - On the computer interface, selecting 1005 represents the minimum sensory intensity level to be achieved, corresponding to the predetermined minimum psychophysical intensity of that component.

[0315] - On the computer interface, select 1006 to represent the value indicating the downstream distance from the fragrance source.

[0316] - The system calculates a value of 1010, representing the gas phase concentration of the component corresponding to the selected minimum sensory intensity level, as a function of the dose response of the component that links the gas phase concentration to the selected minimum sensory intensity.

[0317] - Retrieve the minimum spatial dilution value of 1011 from the electronic memory, as a function of the selected distance from the fragrance source.

[0318] - Calculate at least one value representing the maximum total component dilution using a calculation system, as a function of the determined gas phase concentration of said component, and

[0319] - For at least one value representing the calculated maximum total component dilution and at least one value representing the minimum spatial dilution retrieved at the selected distance, the calculation system calculates at least one value representing the amount of liquid phase component, such that the component exhibits a minimum sensory intensity level as a function of the component dilution value at a predetermined distance.

[0320] Selecting step 1005 can be similar to... Figure 2 The described selection method for step 205 is to be executed.

[0321] In a particular embodiment, the object of the method 1000 of the present invention includes the step of setting (not shown) a value representing a predetermined distance. In such an embodiment, dilution is calculated as a function of the set value of the distance according to a pre-calculated distance-dilution lookup table, which is stored, for example, in electronic memory.

[0322] It can be related to Figure 2 The determination step 240 described is performed in a similar manner to the determination step 1010.

[0323] Calculation step 1015 is performed, for example, by a computing system configured to run a computer program that executes an algorithm that correlates gas phase concentration with dilution as a function of distance. Specifically regarding... Figure 6 Such an algorithm is described.

[0324] Calculation step 1020 is performed, for example, by a computing system configured to run a computer program that executes an algorithm that correlates dilution and minimum sensory intensity level with the liquid phase volume of the component. The result of this algorithm can be stored in electronic memory accessed during this calculation step 1020.

[0325] This algorithm can use an evaporation rate that correlates the amount of liquid phase with the drying duration, which is the time elapsed since the application of the liquid fragrance ingredient. This evaporation rate can be measured or modeled and stored in electronic memory.

[0326] Evaporation rate is a result of mass transfer kinetics, but it cannot provide a complete spatial correlation between liquid phase quantity and gas phase concentration.

[0327] The correlation between liquid phase quantity and gas phase concentration is defined by momentum and mass conservation equations, such as those used in computational fluid dynamics calculations. A table from computational fluid dynamics that correlates distance with a spatial dilution factor is one method of connecting the liquid phase to the gas phase in a distance-dependent manner, utilizing fragrance application parameters such as walking speed, the amount of liquid fragrance applied, and the location of the fragrance application on the body.

[0328] The evaporation rate of the components is used to simulate the timely evaporation and component evolution of the liquid phase of the fragrance. Then, temporal composition information is used in the different embodiments described herein.

[0329] In other embodiments (not shown), the object of the present invention is a method for replacing fragrance ingredients for the purpose of optimizing the performance of fragrance compositions, comprising the following steps:

[0330] - Select at least one ingredient to form the formula.

[0331] - Calculate performance metrics, such as those related to Figures 2 to 10 The disclosed, for example, ODC of at least one component of the formulation, maximum spatial extent based on ODC, perceived intensity at a given distance, dilution resistance, or a combination thereof,

[0332] - For at least one of the ingredients, determine a list of olfactory-related ingredients that are not present in the current formulation, present a preferred value for the selected performance metric, or present an equal or lower value for a selected performance metric but at the same time a value for another performance metric (e.g., cost), such a list of ingredients is optionally presented in a graphical interface, showing the relative value of the performance metric compared to the original ingredient selected for replacement.

[0333] In other embodiments (not shown), the object of the present invention is a method for modifying the relative amounts of fragrance components in a fragrance composition, comprising the following steps:

[0334] - Select at least one ingredient to form the formula.

[0335] - Calculate performance metrics, such as those related to Figures 2 to 10 The disclosed, for example, ODC of at least one component of the formulation, maximum spatial extent based on ODC, perceived intensity at a given distance, dilution resistance, or a combination thereof,

[0336] - For at least one of the ingredients, recommendations are made to increase or decrease its relative amount in the composition to achieve target values ​​for performance indicators of the fragrance composition.

[0337] Figure 13 A specific embodiment of the method 1300 of the present invention is illustrated schematically. The method for preparing this fragrance 1300 composition is characterized by comprising:

[0338] - Step 1305: Selecting at least one ingredient digital identifier on a computer interface to form a digital representation of the fragrance composition.

[0339] - In any of the embodiments disclosed above, step 1310, in which a computing device predicts the spatial recognizability of at least one selected ingredient digital identifier according to fragrance composition spatial recognizability prediction methods 200, 300, 400, 500 and / or 1000, and

[0340] - Step 1315: Preparing a fragrance composition according to the numerical representation of the fragrance composition.

[0341] Selection step 1305 can be performed similarly to selection step 205 or any other similar step disclosed above. During selection step 1305, the user or computer program selects at least one identifier representing a number of physical components to form a fragrance composition represented by a numerical representation (e.g., an identifier or a graphical representation).

[0342] Prediction step 1310 can be performed by any embodiment of the methods 200, 300, 400, 500 and / or 1000 disclosed above.

[0343] Preparation step 1315 can be performed using any composition manufacturing technique known to those skilled in the art for the use of component number identifiers.

[0344] Figure 15 An example of a user interface 1500 for software used in methods 200, 300, 400, and / or 1000 to achieve the objectives of the present invention is illustrated schematically. The user interface 1500 includes:

[0345] - The list of ingredient numeric identifiers 1505 can be updated by adding or deleting ingredient numeric identifiers.

[0346] - It can update and display a list of related component amounts for each component, either in relative or absolute quantities. (1510)

[0347] - A customizable performance space of 1515 displays any key performance indicator obtained using any method (200, 300, 400, and / or 1000), representing the current object—the maximum distance perceived above the indicator at a specific time from fragrance release.

[0348] - Optimization suggestion space 1520 shows how to optimize the design of fragrances based on performance indicators associated with ingredients—for example, such optimization could correspond to changes in quantity or ingredient numerical identifiers.

Claims

1. A method for predicting the spatial recognition of fragrance components, used to prepare a fragrance composition containing the fragrance components, comprising the following steps: - Select a value representing one or both of the following parameters on the computer interface: - The minimum sensory intensity level, corresponding to the predetermined minimum psychophysical intensity of this component. - Maximum distance, corresponding to the distance of the perceived component at the lowest predetermined psychophysical intensity level or -A certain amount of liquid phase components The selected value is chosen from a range of at least two distinct values. - The value representing any of the following parameters is calculated by the computing system: - The minimum sensory intensity level, corresponding to the predetermined minimum psychophysical intensity of this component. - Maximum distance, corresponding to the distance of the perceived component at the minimum sensory intensity level selected or set by default, or -A certain amount of liquid phase components, and Wherein, the calculated value represents a parameter other than the parameter associated with the selected value, and the value of the parameter that is neither selected nor calculated is set to a default value. The calculated value is calculated as a function of the parameters associated with the selected value and the value of the parameter that is neither selected nor calculated. The component represented by the component numerical identifier corresponds to the physical component to be used in the fragrance composition, which is prepared as a function of the calculated and selected values. The method for predicting the spatial recognizability of fragrance components includes the following steps: - On the computer interface, select a value representing the minimum required sensory intensity level, which corresponds to the expected predetermined minimum psychophysical intensity of the component, said value being selected from a range of at least two distinct values. - The minimum gas phase concentration representing the component corresponding to the selected minimum sensory intensity level is determined by a calculation system, as a function of the dose-response curve that correlates the gas phase concentration with the selected minimum sensory intensity. - The maximum total acceptable dilution of the fragrance in both the gas and liquid phases is calculated using a computational system, as a function of the determined minimum gas phase concentration, and - A calculation system is used to calculate at least one value representing the distance from the fragrance source, up to the maximum distance from the fragrance source, at which the component exhibits a minimum sensory intensity level that is at least selected as a function of the calculated maximum total component dilution. The calculation step includes retrieving from an electronic memory at least one value representing the minimum spatial dilution of the component in the gas phase, which corresponds to a predetermined downstream distance from the fragrance source.

2. The method of claim 1, further comprising, prior to the retrieval step, constructing a minimum spatial dilution electronic memory, said construction step matching the minimum spatial dilution value to at least one distance from the fragrance source value and at least one of the following indicators: - An indicator of the incoming airflow rate into the fragrance source containing the stated ingredients. - An indicator representing the surface area of ​​an ingredient or fragrance composition upon which it is applied. - Indicators representing simulation parameters of the human body shape, and / or - An indicator showing the area on the human body where the ingredient or fragrance composition is applied. The construction steps include a computational fluid dynamics simulation step, which is configured to calculate the spatial dilution value at a predetermined downstream distance from the source.

3. The method according to claim 1 or 2, further comprising the step of setting a value representing the drying duration of the component, wherein the step of calculating a value representing the distance from the fragrance source is implemented as a function of the drying duration.

4. A method for predicting the spatial recognition of fragrance components, used to prepare a fragrance composition containing the fragrance components, comprising the following steps: - Select a value representing one or both of the following parameters on the computer interface: - The minimum sensory intensity level, corresponding to the predetermined minimum psychophysical intensity of this component. - Maximum distance, corresponding to the distance of the perceived component at the lowest predetermined psychophysical intensity level or -A certain amount of liquid phase components The selected value is chosen from a range of at least two distinct values. - The value representing any of the following parameters is calculated by the computing system: - The minimum sensory intensity level, corresponding to the predetermined minimum psychophysical intensity of this component. - Maximum distance, corresponding to the distance of the perceived component at the minimum sensory intensity level selected or set by default, or -A certain amount of liquid phase components, and Wherein, the calculated value represents a parameter other than the parameter associated with the selected value, and the value of the parameter that is neither selected nor calculated is set to a default value. The calculated value is calculated as a function of the parameters associated with the selected value and the value of the parameter that is neither selected nor calculated. The component represented by the component numerical identifier corresponds to the physical component to be used in the fragrance composition, which is prepared as a function of the calculated and selected values. The method for predicting the spatial recognizability of fragrance components includes the following steps: - On the computer interface, select a value representing distance, which is within a range of at least two distinct values, with the highest being the maximum downstream distance from the fragrance source, at which the component exhibits a minimum sensory intensity level corresponding to a predetermined minimum psychophysical intensity of that component. - Retrieve the minimum spatial dilution value associated with the selected distance from the electronic memory. - The system determines the gas phase concentration value representing the component corresponding to the retrieved spatial dilution value through calculation, and - For the selected distance value, at least one value representing the sensory intensity level is calculated by the calculation system as a function of the dose-response curve that links the gas phase concentration to the sensory intensity level.

5. A method for predicting the spatial recognition of fragrance components, used to prepare a fragrance composition containing the fragrance components, comprising the following steps: - Select a value representing one or both of the following parameters on the computer interface: - The minimum sensory intensity level, corresponding to the predetermined minimum psychophysical intensity of this component. - Maximum distance, corresponding to the distance of the perceived component at the lowest predetermined psychophysical intensity level or -A certain amount of liquid phase components The selected value is chosen from a range of at least two distinct values. - The value representing any of the following parameters is calculated by the computing system: - The minimum sensory intensity level, corresponding to the predetermined minimum psychophysical intensity of this component. - Maximum distance, corresponding to the distance of the perceived component at the minimum sensory intensity level selected or set by default, or -A certain amount of liquid phase components, and Wherein, the calculated value represents a parameter other than the parameter associated with the selected value, and the value of the parameter that is neither selected nor calculated is set to a default value. The calculated value is calculated as a function of the parameters associated with the selected value and the value of the parameter that is neither selected nor calculated. The component represented by the component numerical identifier corresponds to the physical component to be used in the fragrance composition, which is prepared as a function of the calculated and selected values. The method for predicting the spatial recognizability of fragrance components includes the following steps: - On the computer interface, select the value representing the minimum sensory intensity level to be achieved, which corresponds to the predetermined minimum psychophysical intensity of that component. - On the computer interface, select a value representing the downstream distance from the fragrance source. - A calculation system is used to determine the value of the gas phase concentration corresponding to the selected minimum sensory intensity level, as a function of the dose response of the component that links the gas phase concentration to the selected minimum sensory intensity. - Retrieve the minimum spatial dilution value from electronic memory as a function of the selected distance from the fragrance source. - Calculate at least one value representing the maximum total component dilution using a computational system, as a function of the determined gas phase concentration of said component, and - For at least one value representing the maximum total component dilution calculated and at least one value representing the minimum spatial dilution retrieved for the selected distance, the calculation system calculates at least one value representing the amount of liquid phase component, such that the component exhibits a minimum sensory intensity level as a function of the component dilution value at the predetermined distance.

6. A method for predicting the spatial recognition of a fragrance composition, comprising a method for predicting the spatial recognition of fragrance components, for preparing a fragrance composition containing the fragrance components, the method for predicting the spatial recognition of fragrance components comprising the following steps: - Select a value representing one or both of the following parameters on the computer interface: - The minimum sensory intensity level, corresponding to the predetermined minimum psychophysical intensity of this component. - Maximum distance, corresponding to the distance of the perceived component at the lowest predetermined psychophysical intensity level or -A certain amount of liquid phase components The selected value is chosen from a range of at least two distinct values. - The value representing any of the following parameters is calculated by the computing system: - The minimum sensory intensity level, corresponding to the predetermined minimum psychophysical intensity of this component. - Maximum distance, corresponding to the distance of the perceived component at the minimum sensory intensity level selected or set by default, or -A certain amount of liquid phase components, and Wherein, the calculated value represents a parameter other than the parameter associated with the selected value, and the value of the parameter that is neither selected nor calculated is set to a default value. The calculated value is calculated as a function of the parameters associated with the selected value and the value of the parameter that is neither selected nor calculated. The component represented by the component numerical identifier corresponds to the physical component to be used in the fragrance composition, which is prepared as a function of the calculated and selected values. The method for predicting the spatial recognizability of the fragrance composition includes the following steps: - Select at least two ingredient numerical identifiers on the computer interface to form the fragrance source. - Set values ​​on the computer interface representing the relative amounts of at least one of the components identified by the numerical identifier. - On the computer interface, select a value representing the minimum required sensory intensity level, corresponding to a predetermined minimum perceptual psychophysical intensity expected for at least one component, said value being selected from a range of at least two distinct values. - A calculation system is used to determine the minimum gas phase concentration value representing each of the components corresponding to the selected minimum sensory intensity level, as a function of a dose-response curve that correlates the gas phase concentration with the selected minimum sensory intensity. - The maximum total component dilution of the fragrance in both the gas and liquid phases is calculated using a computational system, as a function of the minimum gas phase concentration determined for each of the stated components, and - A calculation system is used to calculate at least one value representing the distance from the fragrance source, up to the maximum distance from the fragrance source, at which at least one component exhibits at least a minimum sensory intensity level, selected as a function of the calculated maximum total component dilution.

7. The method of claim 6, wherein at least one component numerical identifier is associated in computer memory with a descriptor representing the odor of the corresponding component, wherein, The method further includes providing at least one alternative ingredient numeric identifier to at least one selected ingredient numeric identifier on a computer interface as a function of at least one descriptor associated with the selected ingredient numeric identifier.

8. The method according to claim 7, wherein, The providing step is implemented as a function of both a descriptor associated with the selected ingredient digital identifier and a calculated value representing the maximum downstream spatial distance of the ingredient digital identifier.

9. A method for predicting the spatial recognition of a fragrance composition, comprising a method for predicting the spatial recognition of fragrance components, for preparing a fragrance composition containing the fragrance components, the method comprising the following steps: - Select a value representing one or both of the following parameters on the computer interface: - The minimum sensory intensity level, corresponding to the predetermined minimum psychophysical intensity of this component. - Maximum distance, corresponding to the distance of the perceived component at the lowest predetermined psychophysical intensity level or -A certain amount of liquid phase components The selected value is chosen from a range of at least two distinct values. - The value representing any of the following parameters is calculated by the computing system: - The minimum sensory intensity level, corresponding to the predetermined minimum psychophysical intensity of this component. - Maximum distance, corresponding to the distance of the perceived component at the minimum sensory intensity level selected or set by default, or -A certain amount of liquid phase components, and Wherein, the calculated value represents a parameter other than the parameter associated with the selected value, and the value of the parameter that is neither selected nor calculated is set to a default value. The calculated value is calculated as a function of the parameters associated with the selected value and the value of the parameter that is neither selected nor calculated. The component represented by the component numerical identifier corresponds to the physical component to be used in the fragrance composition, which is prepared as a function of the calculated and selected values. The method for predicting the spatial recognizability of the fragrance composition includes the following steps: - Select at least two numerical identifiers of the ingredients that form the fragrance source on the computer interface. - Set values ​​on the computer interface to represent the relative amounts of at least one of the components identified by the numerical identifier. - On the computer interface, select a value representing distance, which is within a range of at least two different values ​​and is at most the maximum downstream distance from the fragrance source, at which at least one component exhibits a minimum sensory intensity level corresponding to a predetermined minimum psychophysiological intensity for each of the components. - Retrieve the minimum spatial dilution value associated with the selected distance from the electronic memory. - The system determines, through calculation, a value representing the gas phase concentration of at least one of the components corresponding to the retrieved spatial dilution value, and - For the selected distance value, at least one value representing the sensory intensity level is calculated by the calculation system as a function of the dose-response curve that links the gas phase concentration to the sensory intensity level.

10. A method for preparing a fragrance composition, characterized in that, It includes: - The step of selecting at least one ingredient digital identifier on a computer interface to form a digital representation of the fragrance composition. - The method for predicting the spatial recognition of fragrance components according to any one of claims 1 to 5 or the method for predicting the spatial recognition of fragrance compositions according to any one of claims 6 to 9, comprising the step of using a computing device to predict the spatial recognition of at least one selected component digital identifier, and - The steps for preparing a fragrance composition, as a function of the numerical representation of the fragrance composition.

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