The aim of this study is to develop the templateless fabrication of hierarchical porous carbon nanofiber (CNF)/MnO2 composites (PMnCD) derived from polyacrylonitrile (PAN)/cyclodextrin (CD) and ...investigate their morphological and electrochemical properties to determine the different capabilities of inclusion complexes (ICs) formed by α-CD, β-CD and γ-CD. Among the three CD phases, the PMnCD(β) composite using β-CD exhibits a hierarchical porous structure with large specific surface area of 499 m2g-1, and total pore volume of 0.32 cm3g-1, which helps with adsorption efficiency and accumulation of hydrated molecules for double-layer formation. In addition, the numerous mesopores and nitrogen functionalities of the PMnCD(β) composite provide fast diffusion channels for electrolyte ions and higher attractive interactions with electrolyte ions through the pseudocapacitive character. As a result, the PMnCD(β) electrode has a high specific capacitance of 228 Fg-1 at 1 mAcm−2, maximum energy density of 25.3–16.0 Whkg−1 in the power density range of 400-10,000 Wkg-1, and excellent cycling stability of more than 94% after 10000 cycles in aqueous solution, thereby offering potential applications for supercapacitors.
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•Hierarchical porous PMnCD is fabricated by electrospinning without a template.•β-CD stabilizes and encapsulates MnCl2 through the good size match of β-CD and MnCl2.•PMnCD(β) shows a large specific surface area for accumulation of ions.•Many mesopores and nitrogen groups of PMnCD(β) provide fast ion diffusion.•Hierarchical porous PMnCD(β) is applied to high-performance supercapacitors.
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GEOZS, IJS, IMTLJ, KILJ, KISLJ, NLZOH, NUK, OILJ, PNG, SAZU, SBCE, SBJE, UILJ, UL, UM, UPCLJ, UPUK, ZAGLJ, ZRSKP
The freeze-drying approach was used to create inclusion complexes utilizing alkyl gallates and β-cyclodextrin, namely dodecyl gallate, octyl gallate, butyl gallate, and ethyl gallate, which are ...exemplary examples of phenolic esters. The everted-rat-gut-sac model demonstrated that the inclusion complexes released alkyl gallates, which were subsequently hydrolyzed to generate free gallic acid, as evidenced by HPLC-UV analysis. Both gallic acid and short-chain alkyl gallates were capable of permeating the small intestinal membrane. The transport rate of gallic acid (or alkyl gallates) exhibited an initial rise followed by a drop when the carbon-chain lengths varied. The inclusion complex groups exhibited a superior sustained-release effect compared to the comparable alkyl gallates groups, thus possibly leading to higher bioavailability and stronger bioactivity. Moreover, altering the length of the carbon chain will allow for the effortless achievement of regulated release of phenolic compounds and short-chain phenolic esters from such β-cyclodextrin inclusion complexes.
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•β-cyclodextrin inclusion complexes showed gradually release of alkyl gallates.•β-cyclodextrin inclusion complexes showed excellent sustained-release of gallic acid.•Controllable sustained-release behavior will be achieved from different chain length.•Such inclusion complexes are potential as a functional food ingredient.
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GEOZS, IJS, IMTLJ, KILJ, KISLJ, NLZOH, NUK, OILJ, PNG, SAZU, SBCE, SBJE, UILJ, UL, UM, UPCLJ, UPUK, ZAGLJ, ZRSKP
The inclusion complex (IC) was successfully obtained by encapsulating glycerol monolaurate (GML) into the cavity of hydroxypropyl-β-cyclodextrin (HP-β-CD). Compared with solubility of pure GML ...<80 μg/mL in water, and the water-solubility of encapsulated GML was significantly improved and reached to 270,000 μg/mL. IC can form nanoparticles by self-assembly, probably assigned to its strong capability to form micellar-type aggregates. A Higuchi's AL-type phase-solubility diagram indicated the strong interaction between host and guest molecules with the formation of 1:1 GML/HP-β-CD complex and the stability constant at 6248 L/mol. Compared with pure GML, encapsulated GML at the same concentration can also show good antibacterial capabilities against S. aureus and E. coli in sterile water, and the effective preservative capabilities towards beef meatballs. The boosted enhancement in water-solubility of GML and the effective antibacterial capabilities endowed IC with potential in the application of food decontamination.
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•Glycerol monolaurate was firstly encapsulated into the cavity of cyclodextrin.•Water-solubility of encapsulated GML was significantly improved.•Self-assembled ICs have the tendency to form micellar-type aggregates.•Encapsulated GML showed good antibacterial capabilities against S. aureus and E. coli.•IC represented the effective preservative capabilities towards beef meatballs.
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GEOZS, IJS, IMTLJ, KILJ, KISLJ, NLZOH, NUK, OILJ, PNG, SAZU, SBCE, SBJE, UILJ, UL, UM, UPCLJ, UPUK, ZAGLJ, ZRSKP
The present investigation described the preparation of 2-hydroxypropyl-β-cyclodextrin (HPβCD) inclusion complex (IC) of the essential oil (EO) of Psidium cattleyanum (CAT) and the Aedes aegypti ...larvicidal evaluation of the EO and IC. The EO was extracted from the leaves of CAT with a 0.79% (m m−1) yield. It is mainly composed of sesquiterpenes, with β-caryophyllene being the major component (34.2%). To achieve optimized conditions for the preparation of the IC, through the physical method of kneading, the parameters molar ratio of EO/HPβCD and the kneading time were evaluated. The best molar ratio of EO:HPβCD was 1:1.14 and the kneading time corresponded to 30 min. The amount of essential oil loaded under optimized conditions was (94.9 ± 1.7)%. The prepared IC was characterized by spectroscopy in the UV-Vis region, FTIR, TGA, DLS, and XRD to prove the interaction of the EO with the HPβCD. The release of EO from the IC was evaluated in aqueous media using 1% DMSO (v v−1) and acetonitrile. The EO slowly released into the aqueous medium, which was used to simulate the aquatic environment in which A. aegypti larvae develop. The larvicidal activity of CAT EO in DMSO was 81.73 and 102.50 µg mL−1 for LC50 and LC90, respectively. The IC's toxicity was 134.44 and 168.69 µg mL−1 for LC50 and LC90, respectively. Although the larvicidal activity of EO is higher as compared to the IC, the latter presents great thermal stability and high water solubility. Taking together, the described in this study points to the fact that IC prepared from CAT EO may represent a good alternative for A. aegypti larvae control.
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•An inclusion complex (IC) of Psidium cattleyanum essential oil/HPβCD was prepared.•The amount of essential oil loaded under optimized conditions was (94.9 ± 1.7)%.•The IC was characterized by UV-Vis, FTIR, TGA, DLS, and XRD techniques.•The IC is water soluble and improved thermal stability of the essential oil.•The IC presented larvicidal activity against Aedes aegypti.
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GEOZS, IJS, IMTLJ, KILJ, KISLJ, NLZOH, NUK, OILJ, PNG, SAZU, SBCE, SBJE, UILJ, UL, UM, UPCLJ, UPUK, ZAGLJ, ZRSKP
Lutein possesses various biological activities, including antioxidant and benefits for eye health, but its application is hindered by poor water solubility and chemical instability. The study ...utilized hydroxypropyl-β-cyclodextrin (HP-β-CD) in complexation with lutein to enhance stability. The preparation conditions of the inclusion complex (IC) were optimized using Box-Behnken design (BBD), and the IC binding mechanism was investigated and studied by multispectral and molecular docking techniques. The results indicated that the maximum encapsulation efficiency of 84.92% was obtained when shell-to-core ratio was 1:11 (g: g), stirring speed was 420 rpm, and time was 15 h. Moreover, the microstructure characterization and multispectral analysis indicate the formation of IC, with lutein exhibiting an amorphous structure. The results of molecular docking and molecular dynamics (MD) simulations further demonstrate that lutein and HP-β-CD are bound through electrostatic and hydrophobic interactions. IC exhibits higher stability compared to free lutein under varying temperatures and simulated digestive conditions, and enhance antioxidant activity. IC changes the original crystal form of lutein and improves water solubility, which may be more favorable for human absorption and utilization. Hence, encapsulating lutein with HP-β-CD may offer a promising strategy to enhance its applications in pharmaceuticals and food applications.
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•The lutein/HP-β-CD IC was prepared by anti-solvent precipitation.•Lutein exhibits an amorphous structure within IC.•Hydrophobic interactions are the main force in lutein/HP-β-CD.•Molecular dynamics showed the good structural stability of lutein/HP-β-CD.
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GEOZS, IJS, IMTLJ, KILJ, KISLJ, NLZOH, NUK, OILJ, PNG, SAZU, SBCE, SBJE, UILJ, UL, UM, UPCLJ, UPUK, ZAGLJ, ZRSKP
Self‐inclusion complexes consisting of host‐guest conjugates are one of the unique supramolecular structures because they form in‐state and out‐state depending on the external stimuli. Despite many ...reports of the stimuli‐responsive self‐inclusion complex formation, study of the structural relaxation from out‐state to in‐state by photoexcitation has been unexplored. Herein, we report that an electron‐donating host and an electron‐accepting guest conjugate exhibits the structural relaxation from out‐state to in‐state by photoexcitation. Formation of the in‐state in the excited state resulted in exciplex emission along with the locally excited emission from the out‐state. Moreover, this structural relaxation by photoexcitation was suppressed not only by temperature, but also by the presence of guest molecules, resulting in changes in the ratio of the dual emission intensities.
Pillar5arene bearing a π‐conjugated moiety exhibited dual locally excited and exciplex emissions from out‐state and in‐state, respectively, in the excited state. The addition of guest molecules suppressed formation of the in‐state in the excited state, resulting in observation of the single locally excited emission from the out‐state.
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BFBNIB, FZAB, GIS, IJS, KILJ, NLZOH, NUK, OILJ, SAZU, SBCE, SBMB, UL, UM, UPUK
Rosmarinic acid (RA) is a phenolic compound with remarkable antioxidant activity; however it presents low bioavailability. Cyclodextrin (CD) derivatives, such as hydroxypropyl-β-CD (HPβCD) and ...methyl-β-CD (MβCD), have been used to solve the low bioavailability of drugs, increasing their solubility or permeability. The aim of the present study was to investigate the complexation of RA with two derivative CDs, HPβCD and MβCD, and the resulting antioxidant activity. A phase-solubility study was performed to determine the stoichiometric ratio and apparent stability constant, and electrospray ionization coupled to mass spectroscopy (ESI–MS) was used to confirm the stoichiometric ratio. The freeze-dried (FD) complexes were characterized by liquid chromatography (LC), differential scanning calorimetry (DSC), Fourier-transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), and nuclear magnetic resonance (NMR). The antioxidant activity of RA and the FD complexes was evaluated by the DPPH method. A 2:1 (RA:CD) stoichiometric ratio and strong apparent constant stability were found for both complexes using a phase-solubility study, and ESI-MS spectra confirmed a signal corresponding to the 2:1 complex. The FD complexes showed high yield and RA content. The results of DSC, FTIR and SEM demonstrate changes in the physical-chemical characteristics of RA, suggesting its interaction with CDs. These interactions were confirmed by NMR, which revealed the formation of inclusion and non-inclusion complexes. The antioxidant activity of the RA:HPβCD and RA:MβCD FD complexes were higher than that of RA. The results suggest that FD complexes can be a technological approach to the development of formulations containing high content of RA with a view to increasing antioxidant potential.
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•RA forms complexes with HPβCD and MβCD at 2:1 (AR:CD) stoichiometric ratio.•The complexation was confirmed by ESI-MS, DSC, FTIR, SEM and NMR.•The complexes were characterized as inclusion and non-inclusion complex.•Antioxidant activity of RA was increased by complexation.
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GEOZS, IJS, IMTLJ, KILJ, KISLJ, NLZOH, NUK, OILJ, PNG, SAZU, SBCE, SBJE, UILJ, UL, UM, UPCLJ, UPUK, ZAGLJ, ZRSKP
Inclusion complexation of surfactant with β-cyclodextrin (β-CD) is an active research topic in supramolecular chemistry. For the mixed system of β-CD and cationic/anionic surfactants, the ...thermodynamic and molecular dynamics (MD) simulation studies can provide valuable information about synergism between cationic and anionic surfactants and competition between inclusion complexation and mixed micellization. Experimental results indicated a synergistic effect between CTAB and SL in surface tension reduction efficiency and effectiveness, and in mixed micelle formation. The surface tension experiments indicated that for single surfactant CTAB or SL, the binding stoichiometry was β-CD:surfactant = 1:1. For the 1:1 β-CD/surfactant inclusion complexes, umbrella sampling simulation results indicated that SL bound preferentially to the wide rim of β-CD, while, CTAB had a similar probability of binding to either rim of β-CD. Both experimental and simulation results indicated that the inclusion affinity of β-CD with CTAB was significantly stronger than that of β-CD with SL. Due to the electrostatic attraction between the oppositely charged headgroups, the distance between adjacent CTA+ and L− ions was significantly shorter than that between two adjacent CTA+ (or L−) ions. It encouraged us to explore whether the 1:1:1 β-CD/CTAB/SL inclusion complex could form. The MD simulation results indicated that all four possible initial 1:1:1 conformations were unstable. The final stable inclusion complexes were in 1:1 β-CD/CTAB and 1:1 β-CD/SL forms consistent with the umbrella sampling simulation results of the single surfactant. The results suggested that the inclusion interaction becomes less competitive with mixed micellization as the composition approaches the equimolar ratio of CTAB and SL.
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•Strong synergism exists between cetyltrimethylammonium bromide and sodium laurate.•Competition between inclusion complexation and mixed micellization weakens synergism.•Sodium laurate (SL) binds preferentially to the wide rim of β-cyclodextrin (β-CD).•CTAB has a similar probability of binding to either rim of β-CD.•All the four possible initial 1:1:1 β-CD/CTAB/SL inclusion complexes are unstable.
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GEOZS, IJS, IMTLJ, KILJ, KISLJ, NLZOH, NUK, OILJ, PNG, SAZU, SBCE, SBJE, UILJ, UL, UM, UPCLJ, UPUK, ZAGLJ, ZRSKP
Paclitaxel (PTX) is a potent anticancer drug. However, PTX exhibits extremely poor solubility in aqueous solution along with severe side effects. Therefore, in this study, an inclusion complex was ...prepared between PTX and hydroxypropyl-β-cyclodextrin (HPβCD) by solvent evaporation to enhance the drug's solubility. The HPβCD-PTX inclusion complex was then encapsulated in poly-3-hydroxybutyrate (PHB) to fabricate drug-loaded nanoparticles (HPβCD-PTX/PHB NPs) by nanoprecipitation. The HPβCD-PTX/PHB NPs depicted a higher release of PTX at pH 5.5 thus demonstrating a pH-dependent release profile. The cytotoxic properties of HPβCD-PTX/PHB NPs were tested against MCF-7, MDA-MB-231 and SW-620 cell lines. The cytotoxic potential of HPβCD-PTX/PHB NPs was 2.59-fold improved in MCF-7 cells in comparison to free PTX. Additionally, the HPβCD-PTX/PHB NPs improved the antimitotic (1.68-fold) and apoptotic (8.45-fold) effects of PTX in MCF-7 cells in comparison to PTX alone. In summary, these pH-responsive nanoparticles could be prospective carriers for enhancing the cytotoxic properties of PTX for the treatment of breast cancer.
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GEOZS, IJS, IMTLJ, KILJ, KISLJ, NLZOH, NUK, OILJ, PNG, SAZU, SBCE, SBJE, UILJ, UL, UM, UPCLJ, UPUK, ZAGLJ, ZRSKP
•Experimentally as well as theoretically in-depth, complexes are thoroughly characterized.•Various thermodynamic parameters were assessed through the application of spectroscopic methods.•Theoretical ...study via DFT predicts inclusion phenomena.
This investigation involved the inclusion of the antidepressant drug amoxapine (AXP) and gamma-cyclodextrin host molecules using a co-precipitation technique to produce a supramolecular complex. The objective was to acquire a more profound comprehension of the construction and long-lasting nature of the inclusion complex (IC) on a physical scale. The resultant hybrid underwent thorough characterization employing various methods including 1H nuclear magnetic resonance (1H NMR), electrospray ionization mass spectrometry (ESI-MS), and UV-VIS spectroscopy. A stoichiometric ratio of 1:1 was determined through Job's plot, and binding constant values were obtained using UV-VIS spectroscopic titrations with the assistance of the Benesi-Hildebrand technique. The experimental observations were supported by the ESI-MS data. The inclusion complexation was validated through a meticulous analysis of the results from molecular modeling. The preliminary computational screening via DFT revealed the stability of the amoxapine- γ cyclodextrin IC based on adsorption energy calculation. Furthermore, the inclusion complexation phenomenon was confirmed by the outcomes of 1H NMR and ESI-MS studies. The computational findings aligned consistently with the experimental data, providing substantiation for the encapsulation of amoxapine within γ -cyclodextrin.
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GEOZS, IJS, IMTLJ, KILJ, KISLJ, NLZOH, NUK, OILJ, PNG, SAZU, SBCE, SBJE, UILJ, UL, UM, UPCLJ, UPUK, ZAGLJ, ZRSKP
