The structure of the 2:1 complex between beta-cyclodextrin and 1-phenyl-1,2-dicarba-closo-dodecaborane(12) is demonstrated by NOE and NOESY spectroscopy; this complex is remarkably refractory.
Download full-text PDF |
Source |
---|---|
http://dx.doi.org/10.1039/b209339a | DOI Listing |
J Chem Phys
January 2025
Division of Chemical Engineering, Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531, Japan.
Host-guest binding plays a crucial role in the functionality of various systems, and its efficiency is often quantified using the binding free energy, which represents the free-energy difference between the bound and dissociated states. Here, we propose a methodology to compute the binding free energy based on the energy representation (ER) theory of solution, which enables us to evaluate the free-energy difference between the systems of interest with the molecular dynamics (MD) simulations. Unlike the other free-energy methods, such as the Bennett acceptance ratio (BAR), the ER theory does not require the MD simulations for hypothetical intermediate states connecting the systems of interest, leading to reduced computational costs.
View Article and Find Full Text PDFACS Mater Au
January 2025
Faculty of Chemistry, University of Warsaw, 1 Ludwika Pasteura Str., PL 02-093 Warsaw, Poland.
In this study, we demonstrate the formation of a self-assembled microgel double layer on an electrode surface, utilizing the ability to form electro-responsive, reversible inclusion complexes between microgels modified with ferrocene and β-cyclodextrin in these systems. The bottom layer was based on microgels containing ferrocene moieties and derivatives of cysteine. The presence of the amino acid derivative enabled the formation of the well-packed monolayer on the gold surface through chemisorption, while ferrocene was responsible for electroactivity.
View Article and Find Full Text PDFEur J Pharm Sci
January 2025
Changchun University of Chinese Medicine, Jilin Ginseng Aacademy, Changchun 130117, PR China. Electronic address:
Triol-type ginsenoside Re (GS-Re) exhibits potent anti-myocardial ischemia-reperfusion effects, but its clinical use is hindered by poor bioavailability. This study evaluates the impact of β-cyclodextrin (β-CD) inclusion on GS-Re bioavailability and tissue dynamics in rat models. The GS-Re-β-CD complex was prepared using aqueous stirring and characterized.
View Article and Find Full Text PDFAAPS PharmSciTech
January 2025
Department of Pharmacy, Fujian University of Traditional Chinese Medicine, Fuzhou, 350108, China.
Nimodipine (NIMO) is used to treat ischemic nerve injury from subarachnoid hemorrhage (SAH), but its low aqueous solubility limits clinical safety and bioavailability. This study aims to improve NIMO's solubility by preparing inclusion complexes with sulfobutylether-β-cyclodextrin (SBE-β-CD), reducing the limitations of Nimotop injection, including vascular irritation, toxicity, and poor dilution stability. The NIMO-SBE-β-CD inclusion complex (NIMO-CD) was characterized in both liquid and solid states through phase solubility studies and methods including DSC, FT-IR, XRD, and SEM.
View Article and Find Full Text PDFCarbohydr Polym
March 2025
Institute of Chemistry, The Fritz Haber Research Center, and The Harvey M. Krueger Family Center for Nanoscience and Nanotechnology, Edmond J. Safra Campus, The Hebrew University, Jerusalem 9190401, Israel. Electronic address:
Cyclodextrins are widely used pharmaceutical excipients known to increase the solubility of drug compounds through formation of inclusion complexes. A prominent limitation of common cyclodextrins is their own scarce solubility in water, which renders them unsuitable for many drug formulations. Cyclodextrin solubility can be enhanced in appropriate media such as Deep Eutectic Solvents (DESs).
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!