Caffeine-Cyclodextrin Complexes as Solids: Synthesis, Biological and Physicochemical Characterization

Szmeja, Sebastian; Gubica, Tomasz; Ostrowski, Andrzej; Zalewska, A.; Szeleszczuk, Łukasz; Zawada, Katarzyna; Zielińska–Pisklak, Monika; Skowronek, Krzysztof; Wiweger, Małgorzata

doi:10.3390/ijms22084191

Cited by 6 publications

(3 citation statements)

References 54 publications

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“…It is well known that the method of complex preparation may have a significant influence on the form of the complex received [21][22][23]. This is why the CD complexes are usually deeply characterized by various analytical methods, both in solid state and solution [24][25][26]. Therefore, the methods and results of the analysis are described in detail in this review.…”

Section: Introductionmentioning

confidence: 99%

A Review on Cyclodextrins/Estrogens Inclusion Complexes

Araj,

Szeleszczuk

2023

IJMS

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This review focuses on the methods of preparation and biological, physiochemical, and theoretical analysis of the inclusion complexes formed between estrogens and cyclodextrins (CDs). Because estrogens have a low polarity, they can interact with some cyclodextrins’ hydrophobic cavities to create inclusion complexes, if their geometric properties are compatible. For the last forty years, estrogen-CD complexes have been widely applied in several fields for various objectives. For example, CDs have been used as estrogen solubilizers and absorption boosters in pharmaceutical formulations, as well as in chromatographic and electrophoretic procedures for their separation and quantification. Other applications include the removal of the endocrine disruptors from environmental materials, the preparation of the samples for mass spectrometric analysis, or solid-phase extractions based on complex formation with CDs. The aim of this review is to gather the most important outcomes from the works related to this topic, presenting the results of synthesis, in silico, in vitro, and in vivo analysis.

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Section: Introductionmentioning

confidence: 99%

A Review on Cyclodextrins/Estrogens Inclusion Complexes

Araj,

Szeleszczuk

2023

IJMS

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“…Solid complexes of active pharmaceutical ingredients (APIs) with CDs are amorphous, in major cases [14]. Therefore, one can conclude that they are characterized by high disorder and dynamics.…”

Section: Introductionmentioning

confidence: 99%

Application of Molecular Dynamics Simulations in the Analysis of Cyclodextrin Complexes

Mazurek

Szeleszczuk

Gubica

2021

IJMS

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Cyclodextrins (CDs) are highly respected for their ability to form inclusion complexes via host–guest noncovalent interactions and, thus, ensofance other molecular properties. Various molecular modeling methods have found their applications in the analysis of those complexes. However, as showed in this review, molecular dynamics (MD) simulations could provide the information unobtainable by any other means. It is therefore not surprising that published works on MD simulations used in this field have rapidly increased since the early 2010s. This review provides an overview of the successful applications of MD simulations in the studies on CD complexes. Information that is crucial for MD simulations, such as application of force fields, the length of the simulation, or solvent treatment method, are thoroughly discussed. Therefore, this work can serve as a guide to properly set up such calculations and analyze their results.

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“…Biological evaluations, especially concerning the toxicity, were the topic of potentially respirable polyacrylamides [ 7 , 8 ], as well as caffeine–cyclodextrin host–guest complexes [ 9 ]. The studies on polyacrylamides highlight that organic compounds may also cause pulmonary fibrosis with long-term effects and that polymer structural features such as molar mass or crosslinking might contribute to the overall toxic effect.…”

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confidence: 99%