Molecular Thermodynamic Modeling and Design of Microencapsulation Systems for Drug Delivery

Abildskov, Jens; O’Connell, John P.

doi:10.1021/je1011218

Cited by 7 publications

(4 citation statements)

References 38 publications

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“…Thermodynamic modeling provides an important opportunity in drug delivery research, particularly in the area of drug encapsulation. Here, models that do not suffer from limitations of Hansen solubility parameter approach can be useful 326 and the importance of hydrogen bonding and solvation has been demonstrated well by Cai and Gupta. 327 We also recommend an enthusiastic reader toward great descriptions of some of the applications related trends in these areas.…”

Section: Beyond Chemical Process Calculationsmentioning

confidence: 99%

Current Practices and Continuing Needs in Thermophysical Properties for the Chemical Industry

Gupta

Elliott

Anderko

et al. 2023

Ind. Eng. Chem. Res.

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The status of thermophysical property needs of the chemical industry is reviewed and updated relative to similar observations from 20 years ago. The paper is informed by a series of symposia held over several years in conjunction with the American Institute of Chemical Engineers (AIChE) national meetings. Experiences of the authors are also incorporated, including a discussion of the state of the art in this area, as well as references to several of the articles included in a recent special issue of Ind. Eng. Chem. Res. (2022, volume 61, issue 42) devoted to the subject. In general, the trend is toward more rigorous molecular methods but ingrained empirical methods tend to hold on for extended times by adding increasingly sophisticated multiparameter correlations. There is also a tendency for research in newer methods to end prematurely with anecdotal proofs of principle, undermining their ability to supersede tried and true methods. Significant gaps exist in experimental data, for the development of estimation methods and validation of models besides a general need for technical knowledge development. Although progress is clear, some of the goals articulated 20 years ago remain to be achieved, even as new needs are identified in estimation. modeling, and measurements. One possible solution, to close experimental data gaps and to provide a continuous stream of trained personnel, is to establish multidisciplinary research centers of excellence in this important methodology.

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Section: Beyond Chemical Process Calculationsmentioning

confidence: 99%

Current Practices and Continuing Needs in Thermophysical Properties for the Chemical Industry

Gupta

Elliott

Anderko

et al. 2023

Ind. Eng. Chem. Res.

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“…Drug delivery systems have used a wide variety of drug carriers, including surfactants, liposomes, polymers, nanomaterials, and microspheres (Abildskov & O'Connell, 2011; Lin et al, 2007; Torchilin, 2001). Drug distribution refers to the process by which medications are given to patients to maximize their therapeutic benefits.…”

Section: Introductionmentioning

confidence: 99%

Binding and occupancy properties of gabapentin in mixed surfactant systems

Kumar,

Khushi,

Singh

et al. 2023

J Surfact & Detergents

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This research highlights the efficacy of mixed micellar systems as an innovative chemical formulation for improving the binding properties of active pharmaceutical drugs. The formulations based on the mole fraction were utilized for preparing mixed micelles with anionic sodium dioctyl sulfosuccinate (AOT) and sodium dodecyl sulphate (SDS). DLS measurements demonstrated the formation of small micelles and mixed micelles in SDS‐AOT combinations. A UV absorbance investigation demonstrated the effectiveness of the SDS‐AOT mixed micelles for determining the binding constant (Kb) and mean ion occupancy (i0) of the anticonvulsant gabapentin (GBP) drug. Kb values increased, but the occupancy (i) of GBP per micelle decreased by decreasing the mole fraction (α) of SDS from αSDS 0.9 to 0.1, predicting a shift in occupancy of drugs from the Palisade to the Stern layer. To get a better comprehension of micellization behavior and preferential interaction of the drugs under study, molecular docking studies were performed. According to the docking studies, the GBP displayed significant binding in the presence of SDS‐AOT when compared to pure SDS and AOT molecules. Ultimately, in pharmaceutical applications, mixed micelle played an important role in enhancing the binding and encapsulation efficiency of drugs.

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“…From time to time, the researchers try to improve and refine the drug delivery system to increase drug bioavailability, lessen drug deprivation and loss, and thus prevent destructive side effects [ 1 , 2 , 3 , 4 , 5 ]. Numerous drug carriers (surfactants, liposomes, polymers, nanomaterials, and microspheres) have been utilized for drug delivery systems [ 6 , 7 , 8 ]. Low bioavailability due to the poor solubilization of hydrophobic drugs is the main problem associated with drug therapy.…”

Section: Introductionmentioning

confidence: 99%

Mixed Micellization and Spectroscopic Studies of Anti-Allergic Drug and Non-Ionic Surfactant in the Presence of Ionic Liquid

2021

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In drug delivery, surfactants are used to reduce side effects and to increase drug efficiency. The present work aimed to study the interaction of diphenhydramine hydrochloride (anti-allergic drug) with TX–45 (non-ionic surfactant) in the absence and presence of ionic liquid (1-hexyl-3-methylimidazolium chloride). The physicochemical parameters were estimated by the surface tension measurement. Various theoretical models (Clint, Rubingh, Motomura, and Maeda) were applied to determine the attractive behavior between drug and surfactant mixtures at the surface and in bulk. The drug and surfactant mixtures exhibit synergistic behavior in the absence and presence of ionic liquid. Several energetic parameters were also estimated with the assistance of regular solution approximation and pseudo phase separation model that indicate micelle formation and adsorption of surfactant at the surface is thermodynamically advantageous. The morphology of pure and mixture of amphiphiles has been estimated by the Tanford and Israelachvili theories. UV-visible spectroscopy was used to quantify the attractive behavior of the drug with surfactant with the help of a binding constant (K).

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Molecular Thermodynamic Modeling and Design of Microencapsulation Systems for Drug Delivery

Cited by 7 publications

References 38 publications

Current Practices and Continuing Needs in Thermophysical Properties for the Chemical Industry

Current Practices and Continuing Needs in Thermophysical Properties for the Chemical Industry

Binding and occupancy properties of gabapentin in mixed surfactant systems

Mixed Micellization and Spectroscopic Studies of Anti-Allergic Drug and Non-Ionic Surfactant in the Presence of Ionic Liquid

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