Challenges in the design of formulated products: multiscale process and product design

Taifouris, Manuel; Martı́n, Mariano; Martínez, Alberto; Esquejo, Nats

doi:10.1016/j.coche.2019.10.001

Cited by 30 publications

(20 citation statements)

References 100 publications

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“…A generic framework for chemical product design [10], also applicable to formulated products; starts with identification of consumer needs [17], translating these needs to chemical/physical properties [2,18,19,20], to manufacturing that product [3,11,21]. Design frameworks focusing on formulated product design, discuss all three steps in formulated product design namely, generate, test, and make [3,5,15,17,20,21,11] but often without considering automated or robotic labs for the make step and without in-silico realization of test step. Nearly all design frameworks discuss process design with equipment and their operating conditions, as well as optimal economic parameters.…”

Section: Formulation Design Frameworkmentioning

confidence: 99%

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Integrated “Generate, Make, and Test” for Formulated Products using Knowledge Graphs

et al. 2021

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In the multi-billion dollar formulated product industry, state of the art continues to rely heavily on experts during the generate, make and test steps of formulation design. We propose automation aids to each of these steps with a knowledge graph of relevant information as the central artefact. The generate step usually focuses on coming up with new recipes for intended formulation. We propose to aid the experts who generally carry out this step manually, by providing a recommendation system and a templating system on top of the knowledge graph. Using the former, the expert can create a recipe from scratch using historical formulations and related data. With the latter, the expert starts with a recipe template created by our system and substitutes the requisite constituents to form a recipe. In the current state of practice, the three steps mentioned above operate in a fragmented manner wherein observations from one step do not aid other steps in a streamlined manner. Instead of manually operated labs for the make and test steps, we assume the use of automated or robotic labs and in-silico testing respectively. Using two formulations namely, face cream and an exterior coating, we show how the knowledge graph may help integrate and streamline the communication between the generate, the make, and the test steps. Our initial exploration shows considerable promise.

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Section: Formulation Design Frameworkmentioning

confidence: 99%

“…We experiment with both Neo4j 14 and RDF 15 , which are implementations of labelled property graphs and triple stores respectively. For querying Neo4j database, we use the Cypher 16 query language and for triple store representation, we use SPARQL 17 .…”

Section: Graph Representationmentioning

confidence: 99%

Integrated “Generate, Make, and Test” for Formulated Products using Knowledge Graphs

et al. 2021

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“…7 In this case, the use of any single model or tool cannot capture the cosmetic formulation problem in its totality. 8 The design of related personal care products such as shampoo and toothpaste faces similar issues. Currently, new cosmetics are usually developed by experimental trial-and-error.…”

Section: Here]mentioning

confidence: 99%

Optimization-based Cosmetic Formulation: Integration of Mechanistic Model, Surrogate Model, and Heuristics

Zhang¹,

Zhou

2020

Preprint

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Multiple functional and hard-to-quantify sensorial product attributes that can be satisfied by a large number of cosmetic ingredients are required in the design of cosmetics. To overcome this challenge, a new optimization-based approach for expediting cosmetic formulation is presented. It exploits the use of a hierarchy of models in an iterative manner to refine the search for creating the highest-quality cosmetic product. First, a systematic procedure is proposed for optimization problem formulation, where the cosmetic formulation problem is defined, design variables are specified, and a set of models for sensorial perception and desired product properties are identified. Then, a solution strategy that involves iterative model adoption and two numerical techniques (i.e., generalized disjunctive programming reformulation and model substitution) is applied to improve the efficiency of solving the optimization problem and to find better solutions. The applicability of the proposed procedure and solution strategy is illustrated with a perfume formulation example.

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“…xylose, d-galactose, l-rhamnose, d-glucuronic acid, and d-glucuronic acid (Gharanjig et al, 2020). Formulated products are special categories of foods (Taifouris et al, 2020), which can be obtained using engineering and mathematical formulation. Production of novel emulsion particles, food structure, sustainable food systems, modern food supply, considering human health and well-being, and innovation in food formulation is possible using food engineering (Roos et al, 2016).…”

Section: Introductionmentioning

confidence: 99%

The effect of Amygdalus scoparia Spach and Lepidium sativum L. seed gums on the properties of formulated food supplement for soldiers using Response Surface Methodology

Razjoo

Azizkhani

Kenari

2021

Food Science & Nutrition

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Today, the lack of a proper nutritional formulation of the diet for soldiers is well felt. In this study, a newly formulated food supplement (FFS) was designed to supply all essential nutrients like protein, carbohydrate, oil, fat‐soluble vitamins, and minerals, and Lepidium sativum L. seed (shahi) gum and Amygdalus scoparia Spach (zedo) gum were applied to FFS to promote physicochemical and sensory properties of FFS. The samples were developed by preparing emulsion including meat powder (45.0 g/100 g), soybean powder (25.0 g/100 g), and plant oils (15.0 g/100 g). Iron, zinc, and fat‐soluble vitamins (A, D, E, and K) were also added to the formulation, and response surface methodology was used to optimize the effects of shahi and zedo gum at 0.5, 1.0, and 2.0 g/100 g in FFS. The results showed that using hydrocolloids in appropriate amounts enhanced the sensory properties of FFS. Hydrocolloids protected the moisture content of FFS samples and also decreased the reduction of vitamins and minerals during 14 days of storage at 4°C. The hydrocolloids improved the color indices and intrinsic viscosity of samples. The results of this study recommend the use of 1.26 g/100 g of shahi gum and 0.95 g/100 g of zedo gum to produce formulated food supplement for soldiers. This formulation supplies calories and provides some of the essential vitamins and food components to the body.

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Challenges in the design of formulated products: multiscale process and product design

Cited by 30 publications

References 100 publications

Integrated “Generate, Make, and Test” for Formulated Products using Knowledge Graphs

Integrated “Generate, Make, and Test” for Formulated Products using Knowledge Graphs

Optimization-based Cosmetic Formulation: Integration of Mechanistic Model, Surrogate Model, and Heuristics

The effect of Amygdalus scoparia Spach and Lepidium sativum L. seed gums on the properties of formulated food supplement for soldiers using Response Surface Methodology

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