The University of AlKafeel (formerly the College of Humanitarian Studies and the Alkafeel University College) is an Iraqi university located in Najaf, Iraq established in 2003, and owned by AL-Abbasiya holy shrine.
Designing efficient electrocatalytic systems for electro-organic reactions is crucial, and in recent years numerous studies have focused on developing advanced electrode materials. However, many of these systems still face challenges such as limited reusability, leaching of metal nanoparticles into the environment, and increased production costs. To address these issues, an electrocatalytic system based on graphene oxide (GO) coated with ATPB@Ag or ATPB@Pb was developed. This system exhibits on/off fluorescence behavior, enabling controlled release of metal ions through pH adjustment. The catalyst was employed in the electro-organic reaction between ethynylbenzene 1(a) and NaN32(a) for the production of 5-phenyl-1H-1,2,3-triazole derivatives 3(a-l) under optimized conditions (5 mA current, 2 h reaction time, room temperature). The desired compounds were afforded in good to excellent yields (89-97%). The catalyst also demonstrated outstanding reusability, maintaining high efficiency over 12 consecutive cycles. After the reaction has reached completion, adjusting the pH allows the released metal ions to be re-captured by the catalyst, preventing the discharge of expensive and toxic heavy metals into the environment. This not only supports green chemistry principles but also significantly reduces production, maintenance, and operational costs. The structure and morphology of the synthesized catalyst were characterized utilizing pH analysis, FT-IR, SEM, EDS, BET, TGA, XPS, and CV techniques. Also, the synthesized 5-phenyl-1H-1,2,3-triazole derivatives 3(a-l) were confirmed by melting point measurements, 1H NMR, 13C NMR, and CHN elemental analyses.
Early and accurate detection of cardiac troponin I (cTnI) is crucial for the management of acute coronary syndromes. In this study, a highly sensitive and label-free electrochemical immunosensor based on a novel bilayer nanocomposite was developed. A glassy carbon electrode (GCE) was modified by electrodeposited poly-betacyclodextrin@TiO2 (poly-(3-CD@TiO2) followed by drop-casting of a highly conductive multi-walled carbon nanotubes-gold nanoparticle (MWCNTs-COOH/AuNPs)/chitosan (CS)-based scaffold nanocomposite. The (3-CD@TiO2 layer provided stability and a uniform bonding surface, and the porous and highly conductive CS@MWCNTs-COOH/AuNPs scaffold ensured excellent electroactive surface, low-fouling ability, and efficient immobilization of anti-cTnI antibody. This bilayer composition provides effective anti-fouling properties that prevent non-specific adsorption of interfering species to the sensor surface, thereby increasing the stability and selectivity of the sensor. The sensor exhibited a wide linear range (from 0.001 to 10 ng/mL) and an extremely low limit of detection (LOD = 6 & times; 10-4 ng/mL). In addition, the sensor exhibited excellent long-term stability and high selectivity. Clinical application successfully validated the sensor on real patient serum samples and demonstrated accurate and reliable performance in a complex clinical matrix, confirming the strong potential of this platform for early detection of myocardial infarction.
This work focuses on examining how the nanomaterials influence the structural and optical properties of the prepared nanocomposites (NCs). So for this purpose, magnesium oxide (MgO) and silicon dioxide (SiO₂) nanoparticles (NPs) were incorporated into a Polyvinyl pyrrolidone—Polyethylene glycol (PVP–PEG) matrix using the casting process to create new NCs suitable for optoelectronic applications. Field-emission scanning electron microscopy (FESEM) and Fourier transform infrared (FTIR) tests confirmed the uniform distribution of nanofillers and interaction with the polymer blend in real ways. The transmittance and indirect optical energy gap were reduced with the addition of Mg+2 and Si+2 ions. The improvement in refractive index values was 24.10
(1) Background: Gastroretentive systems are an interesting option for enhancing the bioavailability of weak bases and poorly soluble drugs. The aim of this study was to formulate supramolecular organogels based on cinnarizine (CIN) as a potential gastroretentive system. (2) Methods: The organogels were prepared with different oils in different ratios. Thereafter, their pharmaceutical characteristics and in vitro gastric retention were evaluated through in vitro and in silico simulations. (3) Results: Organogels with different proportions of CIN to oils were successfully obtained. The DSC thermal analysis results demonstrated that all organogels showed gel-sol temperature transitions. The frequency sweep test verified that all organogels presented frequency-independent behavior. Optical imaging revealed longitudinal spherulites of the 1:4 CIN in organogels in all oils. The CIN organogels in all oils (1:4) were observed to float in gastric media during the entire release study. The pharmacokinetic parameters of CIN in peppermint oil (1:4) revealed a close Cmax value to that of the 25 mg immediate-release tablet, but a different AUC. (4) Conclusions: The organogels in all oils floated throughout the release study, establishing their potential as a gastroretentive system. Furthermore, these dosage forms were assessed as a gastric-controlled system through in silico simulations, which enabled prediction of their pharmacokinetic parameters.
In our search for non-platinum-based anticancer agents, we designed, synthesized and tested six benzimidazolium salts (Bn1-Bn6) and their silver(I)-NHC complexes (An1-An6). The testing program combined a DFT-based electronic study with biological evaluation to make clear the structure-activity relationship. All compounds were structurally confirmed by FTIR, NMR, and mass spectra analyses. Ligands were optimized using DFT calculations at B3LYP/6-31G(d) and BP86/def2-SVP levels; frontier molecular orbitals analysis together with electronic descriptors was also carried out. Results showed that polar electron-withdrawing substituents mainly carboxyl and nitrile reduce HOMO-LUMO gap increase electrophilicity which correlates well with biological activity hence dicarboxylic acid functionalized derivatives (Bn6 & An6) show highest cytotoxicity against PC-3 cells (IC50 = 11 0.57 + 0 .64 & micro;M & 11 0.81+0 0.13 & micro;M) also strong VEGFR2 inhibitor more than Sorafenib & Enzalutamide while low toxic on WI38 normal cells (SI = 8 0.04). Molecular docking found them strongly stably binding both VEGFR2&AR in line with DFT prediction ADMET analysis drug likeness property. This work combines results from synthesis, DFT analysis, molecular docking, and biological evaluation to show the relationship between structural or electronic features and anticancer activity. Two compounds were found as potent and selective leads. The binding modes are consistent with molecular dynamics simulation results that showed structural stability of ligand-protein complexes with intermolecular interactions preserved through the simulation time.
