Simazine inclusion complexes with cucurbiturils (n = 6–8): experimental and molecular dynamics studies Abdalla A. Elbashir, Maali Saad Mokhtar, FakhrEldin O. Suliman, Amel Y. Ahmed Scientific Reports, 2026 Simazine (SIM) inclusion complexes with cucurbit[n]uril, CBn, (n = 6-8), have been studied in both aqueous solutions and solid states. NMR measurements were taken in DMSO. The solid samples were examined using Fourier transform infrared spectroscopy (FTIR) and powder X-ray diffraction (PXRD). Molecular dynamics (MD) simulations were used to investigate the inclusion process at an atomic level and to examine the mechanism and stability of the complexes. The results showed that the SIM complexes with both CB[7] and CB [8] are highly stable in water, whereas the smaller cavity of CB[6] prevents the formation of an inclusion complex with SIM. The findings clearly demonstrate that, in addition to hydrophobic interactions, hydrogen bonding plays a significant role in stabilizing these complexes.
Carbon Nanotubes Electrode Engineering for Nonenzymatic Electrochemical Biosensing: A Comparative Study of Fibrous and Powdered Architectures Maryam Kaleem, Abid Ali, Imene Bayach, Amel Y. Ahmed Chemistryselect, 2026 Ascorbic acid (AA), uric acid (UA), and dopamine (DA) are associated with significant importance in physiological domains, including metabolism process, renal functioning, and central nervous system, respectively. Their precise electrochemical sensing is emerging as the most effective detection method, offering broad applications. This study highlights the mechanistic behavior of carbon nanotubes with two different morphologies, as electrode materials for the detection of selected biomolecules. The electrocatalytic behavior of nanotubes as powder versus fiber was investigated via cyclic voltammetry for the detailed electron transfer mechanism. CNT fiber electrode demonstrated a wide detection range of 16 mM for AA and 8 mM for UA, with high sensitivities of 29.58, 40, and 35 µAmM −1 for AA, UA, and DA, respectively. In contrast, the CNTP@GCE exhibited a detection range of 12 mM for AA and 14 mM for UA, with a lower sensitivity of 5.9 µAmM −1 for UA but a higher sensitivity of 30 µAmM −1 for AA.
