An inexpensive bioinspired green approach using Saussurea costus root extract was developed to fabricate CS-GLA/AuNP catalyst for the reduction of 4-nitrophenol (4-NP) to 4-aminophenol (4-AP). Chitosan beads (CS) supported Au nanoparticles have been modified to improve their mechanical and thermal stability, using Glutaraldehyde (GLA). The modified chitosan beads (CS-GLA) and CS-GLA/AuNPs were investigated using FTIR, SEM, and TEM techniques. The diameter of AuNPs decorated chitosan beads was found to be around 6.0 ± 3 nm. The X-ray diffraction technique confirmed the crystalline nature of (CS-GLA/AuNPs) and AuNPs decorated chitosan beads. The TGA analysis showed that loading of AuNPs on the chitosan matrix increases its thermal stability. The synthesized (CS-GLA/AuNPs) catalysts exhibited excellent activity in reducing 4-nitrophenol to 4-aminophenol, compared to pure AuNPs and chitosan beads (CS-GLA/AuNPs), enabling the conversion of 4-nitrophenol in 30 min with 1 mg of the catalyst. The kinetic study indicated that the reduction of 4-nitrophenol on the CS-GLA/AuNPs catalyst follows the pseudo-first-order model. Moreover, the CS-GLA/AuNPscatalyst could be recycled at least eight times without significant loss of its activity.

In aqueous and solid media, 2-HP-β/γ-CD inclusion complexes with poly aromatic hydrocarbon (PAH) Phenanthrene (PHN), Anthracene (ANT), Benz(a)pyrene (BaP), and Fluoranthene (FLT) were investigated for the first time. The inclusion complexes were characterized and investigated using fluorescence and ¹HNMR spectroscopy. The most prevalent complexes consisting of both guests and hosts were those with a 1:1 guest-to-host ratio. The stability constants for the complexes of PHN with 2-HP-β-CD and 2-HP-γ-CD were 85 ± 12 M⁻¹ and 49 ± 29 M⁻¹, respectively. Moreover, the stability constants were found to be 502 ± 46 M⁻¹ and 289 ± 44 M⁻¹ for the complexes of ANT with both hosts. The stability constants for the complexes of BaP with 2-HP-β-CD and 2-HP-γ-CD were (1.5 ± 0.02) × 10³ M⁻¹ and (9.41 ± 0.03) × 10³ M⁻¹, respectively. The stability constant for the complexes of FLT with 2-HP-β-CD was (1.06 ± 0.06) × 10³ M⁻¹. However, FLT was observed to form a weak complex with 2-HP-γ-CD. Molecular dynamic (MD) simulations were used to investigate the mechanism and mode of inclusion processes, and to monitor the atomic-level stability of these complexes. The analysis of MD trajectories demonstrated that all guests formed stable inclusion complexes with both hosts throughout the duration of the simulation time, confirming the experimental findings. However, the flexible Hydroxypropyl arms prevented the PAHs from being encapsulated within the cavity; however, a stable exclusion complex was observed. The main forces that influenced the complexation included van der Waals interactions, hydrophobic forces, and C–H⋯π interaction, which contribute to the stability of these complexes.

The conventional delivery systems are ineffective in therapeutics because of poor adsorption at target site. Conversely, 2D sheet based materials are the advanced drug delivery systems that provide decent adsorption and good attraction with drug molecules and can be used as a carrier of effective drug delivery. In this case, we show two-dimensional (2D) porous covalent triazine framework (CTF-2) as a Drug Delivery System to cyclophosphamide and purinethol (Anticancer Drugs). The CTF-2 cavity interacts with both the cyclophosphamide (CP) and purinethol (PU) drugs. The interactions of the drug with the surface are stabilized by the calculated binding energies favoring the adsorption of the drug molecules on the CTF-2 surface. The geometric and electronic properties of the both drugs inside the cavity of CTF-2 are used to confirm the interactions among the drugs and their potential delivery. The adsorption energies of CP@CTF-2 and PU@CTF-2 complexes are − 1.04 eV and − 0.82 eV. However, the BSSE corrected energy values of CP@CTF-2 and PU@CTF-2 complexes are − 1.02 eV and − 0.80 eV. The outcome of the NCI and the QTAIM analysis has given the explanation that the van der Waals interactions are an important factor in the stabilization of the CP@CTF-2 and PU@CTF-2 complexes. The transfer of charge between the drug and the carriers is explained through the NBO and EDD analysis. FMO analysis showed that HOMO-LUMO gap of the CP@CTF-2 complex (6.92 eV) and the PU@CTF-2 complex (6.62 eV) were both smaller than that of the bare CTF-2 surface (7.10 eV). Dipole moment (µ) and pH can help one to understand the interaction of the drug molecules with the carrier and the surrounding environment especially in drug delivery. These studies shows how these drugs can be loaded and off-loaded using the CTF-2 carrier. This study demonstrates the potential of CTF-2, which is an innovative and promising drug delivery carrier in the treatment of various diseases.

Novel biogenic cobalt ferrite nanoparticles were prepared biologically using Adansonia digitata L. (Baobab) Fruit Pulp Extract, assisted by a microwave heating method. The utilization of Adansonia digitata L. (Baobab) Fruit Pulp Extract assisted by microwave heating is considered an eco-friendly method that is environmentally sustainable and inexpensive in terms of energy consumption and large-scale production. Different techniques were used to characterize plant extract-mediated nanoparticles, including X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and N₂ adsorption–desorption analysis. The XRD analysis revealed single-phase crystalline structures with a mean size of 31.5 nm. In SEM and TEM studies, the nanoparticles took different morphologies, such as regular and spherical shapes. The bio-synthesized nanoparticles showed high removal efficiency as adsorbent components in MO removal, for example, of organic dye. The influences of different factors on the adsorption process, such as MO concentration, solution pH, and doses used, were tested based on the amount of adsorbent used. The kinetic and isotherm study results revealed that pseudo-second-order kinetics models and the Freundlich sorption isotherm model fit the adsorption process of MO on nano adsorbents well. Additionally, the antimicrobial assessment of CoFe₂O₄ NPs was tested against five species of human pathogenic bacteria, as well as one fungal species. The results show that CoFe₂O₄ NPs exhibit higher inhibition activity against the examined microorganisms.