Permeation technique is used to study molecular aggregation in aqueous solutions including formation of cyclodextrin guest/host aggregates. Since only guest molecules, host molecules and guest/host aggregates that are smaller than the pore size of a given semipermeable membrane are able to permeate through the membrane, negative deviation of permeation profiles indicates formation of guest/host aggregates or self-aggregates. This chapter describes how the method is used to detect formation of nano-sized aggregates and to determine the critical aggregation concentration (cac) from permeation profiles of a guest molecule.
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http://dx.doi.org/10.1007/978-1-0716-0920-0_4 | DOI Listing |
Phys Chem Chem Phys
July 2024
School of Chemical Sciences, University of Chinese Academy of Sciences, Beijing 100049, P. R. China.
The host matrix is an important means to tune emission color and improve luminescence efficiency of near-infrared (NIR) thermally activated delay fluorescence (TADF) light-emitting diodes. However, the mechanism of NIR TADF of the guest-host systems is still unclear. Namely, there is a controversy on whether the formation of J-aggregation, solid-state solvent effect, molecular polarization or intermolecular charge transfer (CT) is responsible for the NIR TADF.
View Article and Find Full Text PDFMolecular dynamics (MD) simulations of linear amylose fragments containing 10 to 40 glucose units were used to study the complexation of the prototypical compound, 3-pentadecylphenol (PDP)─a natural product with surfactant-like properties─in aqueous solution. The amylose-PDP binding leverages mainly hydrophobic interactions together with excluded volume effects. It was found that while the most stable complexes contained PDP inside the helical structure of the amylose in the expected guest-host (inclusion) complexation manner, at higher temperatures, the commonly observed PDP-amylose complexes often involved more nonspecific interactions than inclusion complexation.
View Article and Find Full Text PDFACS Appl Polym Mater
February 2024
Department of Materials, School of Natural Sciences, University of Manchester, Manchester M13 9BL, United Kingdom.
Angew Chem Int Ed Engl
March 2024
Beijing Key Laboratory for Optical Materials and Photonic Devices, Department of Chemistry, Capital Normal University, Beijing, 100048, China.
Metal-organic phosphorescent complexes containing Ir or Pt are work horse in organic light-emitting diode (OLED) technology, which can harvest both singlet and triplet excitons in electroluminescence (EL) owing to strong heavy-atom effect. Recently, organic room-temperature phosphorescence (ORTP) have achieved high photoluminescence quantum yield (PLQY) in rigid crystalline state, which, however, is unsuitable for OLED fabrication, therefore leading to an EL efficiency far low behind those of metal-organic phosphorescent complexes. Here, we reported a luminescence mechanism switch from thermally activated delayed fluorescence (TADF) in single crystal microwires to ORTP in amorphous thin-films, based on a tert-butylcarbazole difluoroboron β-diketonate derivative of DtCzBF2.
View Article and Find Full Text PDFBull Exp Biol Med
December 2023
E. D. Goldberg Research Institute of Pharmacology and Regenerative Medicine, Tomsk National Research Medical Center, Russian Academy of Sciences, Tomsk, Russia.
To understand the nature of xenon-induced recovery of the functional activity of pulmonary surfactant during inhalation of a gas mixture of Xe/O, the mechanisms of the ongoing processes were studied in silico. Impaired ability of pulmonary surfactant to maintain low surface tension preventing alveolar atelectasis occurs due to formation of aggregates of its phospholipids and a decrease in their lateral mobility. Aggregated lipid systems, whose structure can explain the loss of lateral mobility of surfactant phospholipids, were modeled in silico at the molecular level.
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