Cyclodextrins have found wide application in contemporary chemistry, pharmacy and medicine. Because of their unique properties, cyclodextrins are constantly used in research on solubility or stability improvement, as well as other physicochemical properties of medicinal substances. Indomethacin (IND) is a photolabile molecule that also attracts the interest of researchers due to its therapeutic potential and the need to overcome its problematic photosensitivity. Supramolecular complexes of indomethacin with β-cyclodextrin (CD) are already known, and they show greater stability compared to complexes with other types of cyclodextrins. So far, however, the sensitivity to light of physical mixtures and inclusion complexes in the solid phase has not been studied, and their various stoichiometries have not yet been investigated. Due to this fact, the aim of the present study is to obtain supramolecular systems (inclusion complexes and physical mixtures) of indomethacin with three different amounts of β-cyclodextrin. Assessment of the photochemical stability of indomethacin-β-cyclodextrin systems in the solid state is performed in order to find the best correlation between IND stability and the amount of CD. Comparative analysis of physicochemical degradation for stoichiometry systems [CD:IND] = [1:1], [0.5:1] and [0.1:1] is performed by using ultraviolet spectroscopy, transmission-FTIR, reflection-ATR-FTIR infrared spectroscopy and DSC calorimetry.
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http://dx.doi.org/10.3390/molecules26247436 | DOI Listing |
J Phys Chem B
January 2025
Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104, United States.
Computationally designed 29-residue peptides yield tetra-α-helical bundles with symmetry. The "bundlemers" can be bifunctionally linked via thiol-maleimide cross-links at their N-termini, yielding supramolecular polymers with unusually large, micrometer-scale persistence lengths. To provide a molecularly resolved understanding of these systems, all-atom molecular modeling and simulations of linked bundlemers in explicit solvent are presented.
View Article and Find Full Text PDFAdv Healthc Mater
January 2025
College of Chemistry and Chemical Engineering and Jiangxi Provincial Key Laboratory of Functional Crystalline Materials Chemistry, Nanchang University, Nanchang, 330031, China.
The stacking mode in aggregate state results from a delicate balance of supramolecular interactions, which closely affects the optoelectronic properties of organic π-conjugated systems. Then, managing these interactions is crucial for advancing phototheranostics, yet remains challenging. A subtle strategy involving peripheral phenyl groups is debuted herein to transform X-aggregated SQ-H into J-aggregated SQ-Ph, reorienting intermolecular dipole interactions while rationally modulating π-π interactions.
View Article and Find Full Text PDFACS Macro Lett
January 2025
School of Chemistry and Chemical Engineering, Frontiers Science Center for Transformative Molecules, Shanghai Jiao Tong University, Shanghai 200240, P. R. China.
Stimuli-responsive polymers have demonstrated significant potential in the development of smart materials due to their capacity to undergo targeted property changes in response to external physical or chemical stimuli. However, the scales of response in most existing stimuli-responsive polymer systems are mainly focused on three levels: functional units, chain conformations, or polymer topologies. Herein, we have developed a covalent polymer network (CPN) capable of converting into a supramolecular polymer network (SPN) within bulk materials directly at the scale of polymer network types.
View Article and Find Full Text PDFJ Comput Chem
January 2025
Institute for Physical and Theoretical Chemistry, University of Bremen, Bremen, Germany.
The eXtended Hydrostatic Compression Force Field (X-HCFF) is a mechanochemical approach in which a cavity is used to exert hydrostatic pressure on a target system. The cavity used in this method is set up to represent the van der Waals (VDW) surface of the system by joining spheres sized according to the respective atomic VDW radii. The size of this surface can be varied via a scaling factor, and it can be shown that the compression forces exerted in X-HCFF in its current implementation depend on this factor.
View Article and Find Full Text PDFChem Asian J
January 2025
IISER Bhopal Department of Chemistry, Chemistry, Indore By-pass Road, Bhauri, 462066, Bhopal, INDIA.
White-light generation using small organic molecules has gained significant attention from researchers working on the interface of supramolecular chemistry and organic materials. Self-assembled multi-chromophoric materials utilizing a drug molecule and microenvironment-sensitive intramolecular charge transfer dye as an emitter offer the possibility of tunable emission. In this investigation, we focused on white light generation via the combination of a polarity-sensitive red-emitting styryl chromone (SC) and a blue-emitting anticancer and psychotherapeutic drug Norharmane (NHM) in a self-assembled micellar system.
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