Advances in Designing Essential Oil Nanoformulations: An Integrative Approach to Mathematical Modeling with Potential Application in Food Preservation
Abstract
:1. Introduction
2. Formulation Parameters
2.1. Encapsulating Agents/Coating Materials
2.1.1. Polysaccharide-Based Encapsulants
2.1.2. Protein-Based Encapsulants
2.1.3. Lipid-Based Encapsulants
2.2. Surfactants
2.3. Co-Surfactants
- ➢
- Decreasing the interfacial tension to near zero;
- ➢
- By putting themselves in between the surfactant tails, enhancing the interface’s pliability and fluidity;
- ➢
- Reducing the total viscosity to prevent the production of more stiff structures like gels and liquid crystals;
- ➢
- Frequently demonstrating solubility in both aqueous and organic phases, thus aiding in solubilizing compounds with poor solubility (like vitamins, essential oils, and phytosterols);
- ➢
2.4. Oil Phase and Other Components
3. Methods for Preparation of Nanoemulsion Involving Different Components
3.1. High Energy Methods
3.1.1. High-Pressure Homogenization (HPH)
3.1.2. Microfluidic Homogenization (MH)
3.1.3. Ultrasonic Homogenization (UH)
3.2. Low-Energy Methods
3.2.1. Spontaneous Emulsification (SE)
3.2.2. Emulsion Phase Inversion (EPI)
3.2.3. Phase-Inversion Composition (PIC)
3.2.4. Phase-Inversion Temperature (PIT)
4. Various Strategies for Encapsulation of Essential Oils on a Nanometric Scale
4.1. Physical Methods
4.1.1. Extrusion as an Encapsulation Method
4.1.2. Fluidized Bed Coating
4.1.3. Spray Drying
4.1.4. Spray Chilling
4.1.5. Freeze Drying
5. Application of Artificial Intelligence (AI) and Machine Learning (ML) in the Mathematical Modeling of Nanoemulsions
- ➢
- The input variables will be the components that can be varied in order to fabricate the nanoemulsion, such as type of essential oils, type of surfactant/co-surfactant used, concentration, sonication time, temperature, homogenization time, and speed, while the criteria for optimization should include variables like size of the droplet, stability parameters, loading capacity, encapsulation efficiency, polydispersity index, etc.
- ➢
- The existing population will be a data set generated on the basis of pre-existing formulations available that would indicate the beginning of the optimization process.
- ➢
- The fitness of any formulation will be evaluated by applying selection pressure (this selection pressure corresponds to measurements theoretically or through experimentations). The fitness score for any formulation will be an indicator of how well it fits the optimization criteria.
- ➢
- The formulation with a high fitness score would be selected from the population.
- ➢
- The selected formulations would be allowed to reproduce using key variables of GA, mutation (in which parent formulation is altered by sudden change in one or more components), and crossovers (in which two formulations are combined to reproduce a new formulation).
- ➢
- The success rate of new offspring (formulations) will again be evaluated using the fitness score, and this process shall continue until end point criteria are fulfilled (stop signal may be defined as a set of generations or a stable formulation) [137].
6. Stability and Release Kinetics of Encapsulated Essential Oils
6.1. Stability
6.1.1. Sedimentation or Creaming
6.1.2. Flocculation and Coalescence
6.1.3. Ostwald Ripening
6.1.4. Chemical and Biochemical Stability
6.2. Controlled-Release Kinetic Models
6.2.1. Burst Release
6.2.2. Sustained Release
6.2.3. Delayed Release
6.3. Models for Describing Release Kinetics of Essential Oils
7. Advanced Application of Encapsulation Strategies in Food Preservation
8. Conclusions
Author Contributions
Funding
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
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Kinetic Models | Equation | Specifications | Important Features | References |
---|---|---|---|---|
Zero-order | Qt = kA × QA | Qt = cumulative percentage of released essential oil at time t; kA = rate constant; QA = initial percentage of released essential oil; t = time | Release behavior of d-limonene from finger citron essential oil-loaded nanoemulsion was studied, which followed zero-order kinetics showing sustained release patterns. | [181] |
First-order | ln(A) = ln(A0) − kt | A = percentage of essential oil released at time t; A0 = percentage of essential oil released at time 0; k = rate constant; t = time | Release of clove oil from ethyl cellulose microcapsules showed controlled release patterns along with better protection against volatility. | [182] |
Second-order | y(t) = k [1 − (1 + k1(t − d))exp(−k1t)] | y(t) = percent creaming at time t; k = maximum value of creaming percentage reached during storage; d = time at which emulsion was completely stable; k1 = (1/day) constant of creaming process | Oregano essential oil was encapsulated in double emulsion (w/o/w), and the stability was analyzed. The creaming behavior during storage followed second-order kinetics from 1st day onwards, with maximum values between 15% and 35% and creaming rates between 3.16% and 7.3% per day. | [183] |
Higuchi | Mt/M∞ = kH × t0.5 | Mt/M∞ = percentage of essential oil released at time t; kH = Higuchi dissolution constant; t = time | The Higuchi model is based on Fick’s Law and makes use of pseudo-steady-state hypotheses to characterize the release kinetics of essential oils or any bioactive component from the porous matrix. | [37] |
Kopcha | Mt = A × t0.5 + B × t | A = rate constant for diffusion; B = rate constant for erosion; t = time | This equation is used to assess the diffusion or erosion-based release of bioactive components from delivery systems. The A/B ratio is employed to predict the predominant mechanism of essential oil release. A/B > 1 represents the diffusion mechanism; A/B < 1 represents the erosion mechanism; A/B = 1 represents that both diffusion and erosion will occur. | [184] |
Avrami | ln (−ln R) = n ln k + n ln t | (−ln R) = retention factor; n = release parameter; t = time; k = rate constant | If the value of n = 1, it corresponds to first-order kinetics; n = 0.5, corresponds to diffusion mechanism; n ≤ 0.5 corresponds to the pseudo-Fickian diffusion mechanism. | [185] |
Hixson-Crowell | (100 − Q)1/3 = − kt + b | Q = fractional release of essential oil in time t; k = rate constant; b = constant; | The Hixon–Crowell model suggests that the surface area of a spherical particle containing bioactive molecules is proportional to the cube root of its volume. This model is used to characterize dissolution release, assuming that the surface factors of spherical particles remain constant if dissolution is constant throughout the system. | [186] |
Neibergull | (100 − Q)1/2 = −kt + b | Q = fractional release of bioactives in time t; k = rate constant; b = constant | Estimating the controlled release of bioactives from polylactic acid/chitosan nanoparticles. | [177] |
Essential Oil/Bioactive Component | Coating Material | Surfactant | Production Method | Energy | Food Product | Improvements during Preservation | References |
---|---|---|---|---|---|---|---|
Oregano essential oil (OEO) and resveratrol (RES) | Pectin | Tween-80 | Magnetic stirring | Low energy | Pork loin | Encapsulation of OEO along with RES enhanced the preservation potential by effectively preventing protein and lipid peroxidation and maintaining the tenderness of meat with potential antimicrobial activity up to 20 days of storage. | [194] |
Ferulago angulata | Chitosan | Tween-80 | High-speed homogenization and ultrasonication | High energy | Rainbow trout fillets | A decrease in lipid peroxidation and total volatile nitrogenous compounds was observed. The encapsulated essential oil showed antibacterial activity, extending the shelf life of refrigerated rainbow trout fillets up to 16 days. | [195] |
Grapefruit seed extract (GSE) or grapefruit seed oil (GEO) | Sodium alginate | Glycerol | High-speed homogenization | High energy | Table Grapes | Alginate coatings preserved the antioxidant activity of table grapes. The decay rate was successfully reduced. Effective in preventing weight loss and firmness with potent antifungal activity against Penicillium digitatum. | [196] |
Lemongrass oil (LO) | Carnauba wax | Tween-80 | Dynamic high-pressure processing | High energy | Plum | Reduction in weight loss, firmness, and lightness of plums. Maintained phenolic content in plums. Coatings were antibacterial in nature, preventing the growth of E. coli and S. typhimurium. | [36] |
Lavender essential oil (LEO) | Gelatin | Tween-80 | Magnetic stirring | Low-energy | Cherry tomatoes | Completely inhibited the growth of S. aureus, L. monocytogenes, and E. coli. Delayed deterioration of titratable acids and phenolic contents. Minimized the loss in weight and firmness and possessed high antioxidant activity. | [197] |
Carvone | Chitosan | Tween-80 | High-speed homogenization and ultrasonication | High energy | Bread | Carvone-loaded films completely inhibited A. flavus growth and aflatoxin B1 secretion. Improvement in gas composition and overall acceptable sensorial attributes in bread slices. | [198] |
Cajuput essential oil (CjEO) | Chitosan | Tween-80 | High-speed homogenization and ultrasonication | High energy | Mushroom (Agaricus bisporus) | CjEO-loaded chitosan nanoemulsion was able to preserve the quality of mushrooms for up to 7 days. Reduction in weight loss, firmness, and respiration rate while preserving the color and antioxidants in mushrooms. | [199] |
Foeniculum vulgare | Basil gum and Lepidium perfoliatum gum | Polysorbate 80 | Ultrasonication | High energy | Oncorhynchus mykiss Fish Fillets | The Foeniculum vulgare EO was found to be a potent antimicrobial agent against Pseudomonas aeruginosa, E. coli, and Staphylococcus aureus bacteria. The coating prevented the lipid peroxidation of fish fillets, and their antioxidant activity was enhanced. | [200] |
Valeriana officinalis EO | Chitosan | Twen-80 | Homogenization-based ionic gelation | High energy | Citrus sinensis fruits | The nanoemulsion coating improved the antifungal and anti-aflatoxigenic efficacy against toxigenic Aspergillus flavus along with the maintenance of fruit weight, titrable acidity, total soluble solids, and antioxidant enzymes in stored fruits. | [201] |
Cinnamon essential oil | Pullulan | Twen-80 | Homogenization followed by ultrasonic emulsification (ultrasound treatment) | High energy | Strawberry | Pullulan incorporated cinnamon essential oil and nanoemulsion enhanced the shelf life by reducing the senescence of fresh fruits at room temperature. The coating remarkably lowered the loss of fruit weight, total soluble solids, firmness, and titrable acids of fruits. Nanoemulsion-coated strawberries exhibited the strongest antimicrobial activity against bacteria and mold (2.544 and 1.958 log CFU/g, respectively). | [202] |
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Soni, M.; Yadav, A.; Maurya, A.; Das, S.; Dubey, N.K.; Dwivedy, A.K. Advances in Designing Essential Oil Nanoformulations: An Integrative Approach to Mathematical Modeling with Potential Application in Food Preservation. Foods 2023, 12, 4017. https://doi.org/10.3390/foods12214017
Soni M, Yadav A, Maurya A, Das S, Dubey NK, Dwivedy AK. Advances in Designing Essential Oil Nanoformulations: An Integrative Approach to Mathematical Modeling with Potential Application in Food Preservation. Foods. 2023; 12(21):4017. https://doi.org/10.3390/foods12214017
Chicago/Turabian StyleSoni, Monisha, Arati Yadav, Akash Maurya, Somenath Das, Nawal Kishore Dubey, and Abhishek Kumar Dwivedy. 2023. "Advances in Designing Essential Oil Nanoformulations: An Integrative Approach to Mathematical Modeling with Potential Application in Food Preservation" Foods 12, no. 21: 4017. https://doi.org/10.3390/foods12214017