Papers by Keyword: Inclusion Complex

Abstract: Elemi essential oil, extracted from the resin of the elemi tree (Canarium luzonicum), is highly valued for its distinctive aromatic and medicinal properties. Its complex composition includes various monoterpenes and sesquiterpenes such as α-phellandrene, limonene, and elemicin, which collectively contribute to its unique fragrance and therapeutic benefits. However, the oil’s susceptibility to environmental factors such as heat, light, and oxidation often leads to degradation and reduced efficacy. In this study, we investigated the encapsulation of elemi essential oil components within cyclodextrin metal-organic frameworks (CD-MOFs) using molecular docking and molecular dynamics (MD) simulations to assess adsorption behavior and complex stability. Significant variation in binding affinities was observed, with cis-sabinene exhibiting the strongest adsorption driven by favorable hydrophobic interactions within the CD-MOF cavity, while β-phellandrene demonstrated weaker binding attributed to less optimal molecular fit. MD simulations further confirmed the stable encapsulation of hydrophobic compounds, including d-limonene, α-elemol, α-phellandrene, and elemicin within the CD-MOF structure. Despite conformational adjustments during simulation, these complexes maintained high structural integrity, as evidenced by consistently low root-mean-square deviation (RMSD) and radius of gyration values. These results underscore the critical role of non-covalent interactions, particularly van der Waals forces, and reveal the inherent structural flexibility and robustness of CD-MOFs in accommodating diverse hydrophobic guest molecules. This work demonstrates the strong potential of CD-MOFs as versatile and effective carriers for the encapsulation and stabilization of hydrophobic essential oil components, paving the way for their application in advanced delivery systems across pharmaceutical, cosmetic, and food industries.

Abstract: Inclusion complex of β-cyclodextrin (β-CD) and Plai (Zingiber cassumunar) oil was prepared using a simple co-precipitation method at β-CD to Plai oil in different ratios. The inclusion complexes were characterized using Fourier transform-infrared spectroscopy (FT-IR) and differential scanning calorimetry (DSC). The FT-IR absorption bands of inclusion complex at 3600-3200 cm^-1 were broader and shifted toward lower frequencies compared with that of pure β-CD (3359 cm^-1). DSC of the inclusion complexes showed two endothermic peaks shifted to lower temperatures (90-100°C and 295-300°C) compared to that of β-CD. The different physicochemical characteristic could be an indication of an embedded guest molecule in the β-CD cavities in the inclusion complex preparation.

Abstract: The inclusion complex formation between fluorescent sensor 3, 3’-benzidine/β-cyclodextrin derivative (BDCD) and pesticide carbaryl was studied and characterized by TEM, XRD and fluorescence spectroscopy. The stability constant and the stoichiometry of complex were determined. Based on the enhancement of the fluorescence intensity of carbaryl produced through complex formation, a new sensitive method for the determination of carbaryl was established. The linear relationship between the fluorescence intensity and carbaryl concentration was obtained in the range of 0.60-3.00 μmol/L with a correlation coefficient of 0.9946. The detection limit was 5.12 nmol/L. This method has been successfully applied to the determination of carbaryl pesticide residue in water, fruit and vegetable samples with satisfactory results, recoveries in the range of 94.12 % to 105.88 % were obtained. The method is rapid, simple, direct, economical, sensitive and useful for carbaryl analysis.

Abstract: The host-guest inclusion complex formation between 3, 3’-benzidine/β-cyclodextrin derivative (BDCD) and pesticide carbendazim was studied and characterized by TEM and XRD. The result showed that inclusion complex had hydrophobic small-molecule fluorophores. The fluorescence titration was performed to calculate binding constant, sensitivity factor and limit of detection of the resulting complex. Based on the enhancement of the fluorescence intensity of carbendazim produced throught complex formation, a new sensitive method for the determination of carbendazim was established. A linear relationship was obtained between the fluorescence intensity and carbendazim concentration in the range of 3.57 and 17.83 μmol/L. The correlation coefficient, the lowest limit of detection and RSD were 0.9916, 15.51 nmol/L and 2.13%, respectively. This method has better anti-interference ability and stability. The proposed method have been successfully applied to the determination of carbendazim pesticide residues in water, vegetable and fruit samples with satisfactory results, recoveries in the range of 87.56 % to 104.04 % were obtained.

Abstract: The novel radio-protective drug 9-phenyl symm octahydro selenoxanthene is insoluble in water. The complexation with hydroxypropyl beta-cyclodextrin increases the water solubility improving the bioavailability. The stoichiometry of the supramolecular host-guest complex was studied by displacement experiments using fluorescence spectroscopy. With respect to the application in the radiologic brachy therapy the inclusion complex was encapsulated by spray drying with both, poly D,L-lactic-co-glycolic acid and gelatin. The in-vitro irradiation tests of the final ointment formulation show the inhibition of neoplasm development, and an efficient protection effect against radiation.

Abstract: In order to improving the stability and bioavailability of tea polyphenols (TP), the TP/starch inclusion complex (TPSIC) was prepared by adding TP to starch slurry during gelatinization, and its TP releasing behaviors was investigated. The formation of inclusion complex was confirmed by powder X-ray diffraction (XRD) and differential scanning calorimetry (DSC). The TPSIC showed a characteristic of V-type crystallinity and a looser gel matrix. The encapsulation increased the stability of TP and generated a good releasing behavior after enzymatic erosion. The lower releasing rate indicated that the prepared inclusion complexes had good retention ability and effectively reduced the releasing rate of TP. The releasing rate of TPSIC increased with the increase of TP concentration.

Abstract: nclusion complex of cholesterol:β-cyclodextrin (CβIC) was characterized for thermal analysis by differential scanning calorimetry (DSC) and scanning electron microscopy (SEM). The difference of endothermic peak between inclusion compounds of cholesterol:β-cyclodextrin (CβIC) with pure cholesterol and β-cyclodextrin endothermic peaks confirmed the formation of inclusion complex. SEM results showed that of cholesterol:β-cyclodextrin inclusion complex (CβIC) observed in the form of irregular crystalline particles which has different morphology from CHO and βCD. The results obtained from this study will able to give valuable information about cholesterol-reduced egg yolk properties that could be useful to produce healthy-egg yolk based products.

Abstract: Clove oil is a natural antiseptic and analgaesic, however, its volatility strong odour, insolubility in water, and low physicochemical stability limit its application as food functional ingredients. The aim of this study was to investigate the physicochemical and release characterization of inclusion complexes of Clove oil in β-Cyclodextrin (β-CD). The formation of Clove oil /β-CD inclusion complex was demonstrated by different analytical techniques including Particle size analysis, TG analysis and SEM. The release rate of Clove oil from the inclusion complex was controlled.

Abstract: In this study, the inclusion complex of diosmetin with hydroxypropyl-β- -cyclodextrin (HP-β-CD) was prepared to improve the water solubility of diosmetin by the solvent method. The content of diosmetin in the complex was determined by UV. And the physicochemical properties of the complex were analyzed by ultraviolet-visible spectrometry (UV), infrared spectrometry (IR), X-ray diffractometry (XRD), differential scanning calorimetry (DSC). The results showed that the physical phase of diosmetin had been changed. It was completely dispersed in HP-β-CD. HP-β-CD and diosmetin were combined by non-covalent bonds.

Abstract: In this paper, the PVA film with clove oil/β-cyclodextrin inclusion complex was used to package cherry tomatoes Experiment on cherry tomatoes showed that weightless rates increased along with time, and sensory equality score of cherry tomatoes began to decrease sharply in the 2nd day of storage. PVC antibacterial film had a controlled effect weightless and sensory change obviously, when the clathrate adding is 15%, the effect was the best.