Water effect in the reverse micellar formation of docusate sodium. A coarse-grained molecular dynamics approach

Siddiqi, Areeb; Herdes, Carmelo

doi:10.1016/j.fluid.2022.113469

Cited by 6 publications

(5 citation statements)

References 81 publications

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“…We use coordinate-pair eccentricity (CPE) as the basis for determining shape in this work, although there are numerous other ways to characterize the sphericity of an object, − and several more that specifically classify the object as an ellipsoid of some form. ,,, All of these methods are based on the moments of inertia and function essentially the same way, such that our findings can be readily translated into any other metric, but the mathematical proof underpinning our findings is dramatically simplified by the symmetry of CPE. CPE is defined as e ab = 1 − b 2 a 2 e ac = 1 − c 2 a 2 , a ≥ b ≥ c where a , b , and c are the semiaxes of the ellipsoid that has the same principal moments of inertia as the object being characterized, e.g., an AOT reverse micelle.…”

Section: Modelmentioning

confidence: 99%

Predicting the Geometry of Core–Shell Structures: How a Shape Changes with Constant Added Thickness

Gale,

Levinger

2024

J. Phys. Chem. B

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The core−shell assembly motif is ubiquitous in chemistry. While the most obvious examples are core/shell-type nanoparticles, many other examples exist. The shape of the core/ shell constructs is poorly understood, making it impossible to separate chemical effects from geometric effects. Here, we create a model for the core/shell construct and develop proof for how the eccentricity is expected to change as a function of the shell. We find that the addition of a constant thickness shell always creates a relatively more spherical shape for all shapes covered by our model unless the shape is already spherical or has some underlying radial symmetry. We apply this work to simulated AOT reverse micelles and demonstrate that it is remarkably successful at explaining the observed shapes of the chemical systems. We identify the three specific cases where the model breaks down and how this impacts eccentricity.

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Section: Modelmentioning

confidence: 99%

Predicting the Geometry of Core–Shell Structures: How a Shape Changes with Constant Added Thickness

Gale,

Levinger

2024

J. Phys. Chem. B

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“…In a very recent study, the application of mass spectrometric imaging accomplished the localization of emulsifiers on the surface of water droplets and structural determination of crystal network in W/O emulsions (Shiota, Shimomura, et al., 2018 ). Based on the dataset of physical properties, pseudophase diagrams (Golwala et al., 2020 ) or a coarse‐grained molecular model can be developed to predict the physical stability of W/O emulsions (Siddiqi & Herdes, 2022 ). These methods not only act as a powerful tool in revealing the interfacial behaviors but also offer the possibility of introducing interdisciplinary techniques in studying the lipid oxidation in W/O emulsions.…”

Section: Mechanisms and Markers Of Lipid Oxidation In W/o Emulsionsmentioning

confidence: 99%

Mechanisms of lipid oxidation in water‐in‐oil emulsions and oxidomics‐guided discovery of targeted protective approaches

Bao

Pignitter

2023

Comp Rev Food Sci Food Safe

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Lipid oxidation is an inevitable event during the processing, storage, and even consumption of lipid-containing food, which may cause adverse effects on both food quality and human health. Water-in-oil (W/O) food emulsions contain a high content of lipids and small water droplets, which renders them vulnerable to lipid oxidation. The present review provides comprehensive insights into the lipid oxidation of W/O food emulsions. The key influential factors of lipid oxidation in W/O food emulsions are presented systematically. To better interpret the specific mechanisms of lipid oxidation in W/O food emulsions, a comprehensive detection method, oxidative lipidomics (oxidomics), is proposed to identify novel markers, which not only tracks the chemical molecules but also considers the changes in supramolecular properties, sensory properties, and nutritional value. The microstructure of emulsions, components from both phases, emulsifiers, pH, temperature, and light should be taken into account to identify specific oxidation markers. A correlation of these novel oxidation markers with the shelf life, the organoleptic properties, and the nutritional value of W/O food emulsions should be applied to develop targeted protective approaches for limiting lipid oxidation. Accordingly, the processing parameters, the application of antioxidants and emulsifiers, as well as packing and storage conditions can be optimized to develop W/O emulsions with improved oxidative stability. This review may help

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“…One copolymer is dissolved by the solvent but not the others. The center is generated by the insoluble copolymer, while the periphery is formed by the soluble copolymer, from which the micellar ensemble is formed [107]. This polymeric micelle can be used in both industrial and non-industrial settings [108].…”

Section: Micellesmentioning

confidence: 99%

Nanocarriers: A Reliable Tool for the Delivery of Anticancer Drugs

et al. 2022

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Nanomedicines have gained popularity due to their potential therapeutic applications, especially cancer treatment. Targeted nanoparticles can deliver drugs directly to cancer cells and enable prolonged drug release, reducing off-target toxicity and increasing therapeutic efficacy. However, translating nanomedicines from preclinical to clinical settings has been difficult. Rapid advancements in nanotechnology promise to enhance cancer therapies. Nanomedicine offers advanced targeting and multifunctionality. Nanoparticles (NPs) have several uses nowadays. They have been studied as drug transporters, tumor gene delivery agents, and imaging contrast agents. Nanomaterials based on organic, inorganic, lipid, or glycan substances and synthetic polymers have been used to enhance cancer therapies. This review focuses on polymeric nanoparticle delivery strategies for anticancer nanomedicines.

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Water effect in the reverse micellar formation of docusate sodium. A coarse-grained molecular dynamics approach

Cited by 6 publications

References 81 publications

Predicting the Geometry of Core–Shell Structures: How a Shape Changes with Constant Added Thickness

Predicting the Geometry of Core–Shell Structures: How a Shape Changes with Constant Added Thickness

Mechanisms of lipid oxidation in water‐in‐oil emulsions and oxidomics‐guided discovery of targeted protective approaches

Nanocarriers: A Reliable Tool for the Delivery of Anticancer Drugs

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