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Inclusion Complex: Formation, Structure and Properties

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Molecular Structure".

Deadline for manuscript submissions: 31 December 2026 | Viewed by 952

Editors


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Guest Editor
Laboratório de Química Computacional (LaQC), Instituto de Física Química, Universidade Federal de Itajubá, Itajubá, MG, Brazil
Interests: multi equilibrium in inclusions complexes; cyclodextrins; intermolecular interactions
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Guest Editor
Departamento de Química Inorgânica, Instituto de Química, Universidade Federal Fluminense (UFF), Niteroi, Brazil
Interests: thermodynamics of inclusion complexes formation; spectroscopic propreties; intermolecular interactions

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Guest Editor Assistant
Department of Analytical Chemistry, Faculty of Pharmacy, “Carol Davila” University of Medicine and Pharmacy, Bucharest, Romania
Interests: cyclodextrins; cyclodextrin polymers; inclusion complex characterization

Special Issue Information

Dear Colleagues,

An inclusion complex is a structure where one molecule (the guest) is physically trapped inside one cavity of another molecule (the host). This encapsulation can significantly change guest properties and gives the complex new properties that individual molecules do not have on their own. This Special Issue presents the latest research on the synthesis and characterization of these complexes, as well as the experimental and theoretical investigation of their properties. Topics of interest include the development of new host molecules and the mechanism of complex formation. Specifically, there is an interest in structural aspects of inclusion complexes; their mechanisms of formation and equilibrium; and phase-related properties. Along these lines, we welcome studies featuring computational modeling in a way that analyzes and predicts the structure of inclusion complexes.

Researchers are also invited to present how the process of inclusion in the host molecules can improve solubility and stability in applications like pharmaceuticals, food science, materials science, and sustainable technologies.

This publication aims to connect fundamental knowledge with practical applications, highlighting new trends and encouraging interdisciplinary collaboration. We invite original research articles and reviews that explore the formation, structure, and functional properties of inclusion complexes, providing a broad perspective on this dynamic and expanding field. 

Dr. Juliana Fedoce Lopes
Prof. Dr. Wagner De Almeida
Guest Editors

Dr. Andreea Alexandra Olteanu
Guest Editor Assistant

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 250 words) can be sent to the Editorial Office for assessment.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-anonymized peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • inclusion complex
  • host–guest interaction
  • computational chemistry
  • intermolecular interactions
  • structural characterization
  • supramolecular interactions

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Published Papers (1 paper)

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Review

30 pages, 2201 KB  
Review
From Inclusion Complexes to Metabolic Signaling: The Emerging Role of γ-Cyclodextrin in Gut Microbiota and Metabolic Regulation
by Pirscoveanu Denisa Floriana Vasilica, Pluta Ion Dorin, Dîrnu Rodica, Carmen Vladulescu, Diana-Maria Trasca, Renata Maria Varut, Adina Kamal, Maria Stoica, Gabriela Pura, Romeo Popa, Virginia Radulescu and George Alin Stoica
Molecules 2026, 31(14), 2415; https://doi.org/10.3390/molecules31142415 - 9 Jul 2026
Viewed by 590
Abstract
γ-Cyclodextrin (γ-CD) is a cyclic oligosaccharide with high aqueous solubility, low toxicity, and a large internal cavity that enables inclusion complex formation with selected bioactive compounds. Beyond its established role as a pharmaceutical and food excipient, emerging evidence suggests that γ-CD may influence [...] Read more.
γ-Cyclodextrin (γ-CD) is a cyclic oligosaccharide with high aqueous solubility, low toxicity, and a large internal cavity that enables inclusion complex formation with selected bioactive compounds. Beyond its established role as a pharmaceutical and food excipient, emerging evidence suggests that γ-CD may influence metabolic regulation through interactions with the gut microbiota, microbial fermentation products, and host metabolic signaling pathways. This review synthesizes current evidence on the effects of γ-CD on short-chain fatty acid production, lipid homeostasis, glycemic control, and obesity- and type 2 diabetes-related metabolic disturbances. Particular attention is given to the gut–metabolism axis, SCFA-mediated GPCR signaling, microbial taxa potentially involved in γ-CD fermentation, and the relative contribution of prebiotic-like effects versus lipid-binding mechanisms. Available data indicate that γ-CD may modulate microbial composition and metabolic outcomes, but most evidence derives from in vitro experiments, animal models, and limited human studies. Therefore, the clinical relevance of γ-CD remains insufficiently established. Future studies should include well-designed human trials, standardized doses, multi-omics analyses, and direct comparisons between native and modified cyclodextrins to clarify whether γ-CD can be translated into nutritional or therapeutic strategies for metabolic disorders. Full article
(This article belongs to the Special Issue Inclusion Complex: Formation, Structure and Properties)
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