Microhardness and Fluoride Release of Glass Ionomer Cement Modified with a Novel Al+3 Complex to Enhance Its Antimicrobial Activity

Objectives. To synthesize and characterize a novel Al+3 complex with 2-(2-hydroxyphenyl)-1H-benzimidazole (HL) to be added to a restorative glass ionomer cement (GIC) to enhance its antimicrobial activities and to evaluate the Vickers microhardness (HV) and fluoride release (FR) of the modified GIC. Materials and Methods. Al+3 complex was synthesized by the addition of 1 mmol (0.210 g) of HL to 1 mmol (0.342 g) of aluminum sulfate in ethanol. The resulting solution was then refluxed under stirring for 24 h and then collected by filtration and dried in a vacuum desiccator over an anhydrous CaCl2. Characterization of Al+3 complex was carried out by Fourier transform infrared spectroscopy (FTIR), elemental microanalysis, thermal gravimetric analysis (TGA), molar conductance, 1H NMR spectra, and electron impact-mass spectrometry. The antimicrobial activity of Al+3 complex-modified GIC (Al-GIC) was studied by the “cut plug method” against Gram-negative bacteria (Acinetobacter baumannii) and Gram-positive bacteria (Staphylococcus aureus, Enterococcus, and Streptococcus mutants) and fungi (Candida albicans). HV was evaluated by a digital microhardness tester (Zwick/Roell, Indentec, ZHVμ-S, West Midlands, England). Fluoride levels in ppm were obtained using the ion-selective electrode connected to a digital meter. A one-way ANOVA and Bonferroni test were used to analyze the data with the significance level established at p≤0.05. Results. Synthesis of Al+3 complex was confirmed by FTIR, elemental microanalysis TGA, molar conductance, 1H NMR spectra, and electron impact-mass spectrometry. Al-GICs exhibited an enhanced antibacterial activity against all studied microorganisms as confirmed by the growth of inhibition zones compared to control GIC (C-GIC). Though there was a slight reduction in HV and FR with increasing the added percent of Al+3 complex, no significant differences were found between the studied groups. Conclusions. Addition of Al+3 complex to GIC powder enhanced the antimicrobial activity of GIC materials. As there was a negligible insignificant reduction in HV and FR upon the addition of Al+3 complex, Al-GICs can be used with a guaranteed degree of clinical success

Synthesis, application and molecular docking of modified cellulose with diaminoguanidine as complexing agent for selective separation of Cu (II), Cd (II) and Hg (II) ions from alum sample

Abstract A new modified cellulose with diaminoguanidine (Cel-Gua) synthesized for specific recovery of Cu (II), Cd (II), and Hg (II) from the alum sample. Cellulose was silanized by 3-chloropropyltrimethoxysilane and then was modified with diaminoguanidine to obtain N-donor chelating fibers. Fourier transform-infrared spectroscopy, scanning electron microscopy, X-ray diffraction, zeta potential, electrons disperse X-ray analysis, elemental analyses (C, H and N), and thermogravimetric analysis were used for characterization. Factors influencing the adsorption were thoroughly examined. Under the optimal conditions, the Cel-Gua sorbent displayed maximum adsorption capacities of 94.33, 112.10 and 95.78 mg/g for Cu (II), Cd (II), and Hg (II), respectively. The sorption process of metal ions is equipped by kinetic model PSO and Langmuir adsorption isotherm. The calculated thermodynamic variables confirmed that the adsorption of Cu (II), Cd (II) and Hg (II) by Cel-Gua sorbent is a spontaneous and exothermic process. In our study, we used the molecular operating environment software to conduct molecular docking simulations on the Cel-Gua compound. The results of the docking simulations showed that the Cel-Gua compound displayed greater potency and a stronger affinity for the Avr2 effector protein derived from Fusarium oxysporum, a fungal plant pathogen (code 5OD4). The adsorbent was stable for 7 cycles, thus allowing its safe reutilization

A novel isatin Schiff based cerium complex: synthesis, characterization, antimicrobial activity and molecular docking studies

Abstract In this work, a novel isatin-Schiff base L2 had been synthesized through a simple reaction between isatin and 2-amino-5-methylthio-1,3,4-thiadiazole. The produced Schiff base L2 was then subjected to a hydrothermal reaction with cerium chloride to produce the cerium (III)-Schiff base complex C2. Several spectroscopic methods, including mass spectra, FT-IR, elemental analysis, UV–vis, 13C-NMR, 1H-NMR, Thermogravimetric Analysis, HR-TEM, and FE-SEM/EDX, were used to completely characterize the produced L2 and C2. A computer simulation was performed using the MOE software program to find out the probable biological resistance of studied compounds against the proteins in some types of bacteria or fungi. To investigate the interaction between the ligand and its complex, we conducted molecular docking simulations using the molecular operating environment (MOE). The docking simulation findings revealed that the complex displayed greater efficacy and demonstrated a stronger affinity for Avr2 effector protein from the fungal plant pathogen Fusarium oxysporum (code 5OD4) than the original ligand. The antibacterial activity of the ligand and its Ce3+ complex were applied in vitro tests against different microorganism. The study showed that the complex was found to be more effective than the ligand

Additional file 1 of A novel isatin Schiff based cerium complex: synthesis, characterization, antimicrobial activity and molecular docking studies

Additional file 1: Fig. S1. The FT-IR spectra of Schiff base L2, and Ce(III)-complex C2. Fig. S2. The electronic absorption spectra of Schiff base L2, and Ce(III)-complex C2. Fig. S3. The 1H-NMR spectrum of Schiff base L2. Fig. S4. The 1H-NMR spectrum of Ce(III)-complex C2. Fig. S5. The 13C-NMR spectrum of Schiff base L2. Fig. S6. The 13C-NMR spectrum of Ce(III)-complex C2. Fig. S7. The mass spectrum of Schiff base L2. Scheme S1. The proposed fragmentation Scheme of Schiff base L2. Fig. S8. The mass spectrum of Ce(III)-complex C2. Scheme S2. The proposed fragmentation Scheme of the Ce(III)-complex C2. Fig. S9. DTA and TGA curves of Ce(III)-Schiff base complex (C2). Fig. S10. EDX images: [a–b] of Schiff base L2 and Ce(III)-complex C2. Table S1. Decomposition steps with the temperature range and weight loss for Ce(III)-Schiff base complex (C2). Table S2. EDX analysis of Schiff base L2. Table S3. EDX analysis of the Ce(III)-complex C2