Synthesis and Characterization of Hybrid Materials Consisting of n-octadecyltriethoxysilane by Using n-Hexadecylamine as Surfactant and Q0 and T0 Cross-Linkers

Novel hybrid xerogel materials were synthesized by a sol-gel procedure. n-octadecyltriethoxysilane was co-condensed with and without different cross-linkers using Q0 and T0 mono-functionalized organosilanes in the presence of n-hexadecylamine with different hydroxyl silica functional groups at the surface. These polymer networks have shown new properties, for example, a high degree of cross-linking and hydrolysis. Two different synthesis steps were carried out: simple self-assembly followed by sol-gel transition and precipitation of homogenous sols. Due to the lack of solubility of these materials, the compositions of the new materials were determined by infrared spectroscopy, 13C and 29Si CP/MAS NMR spectroscopy and scanning electron microscopy

Synthesis, characterization, and performance evaluation of hybrid waste sludge biochar for cod and color removal from agro-industrial effluent

Agro-waste management processes are evolving through the development of novel experimental approaches to understand the mechanisms in reducing their pollution levels efficiently and economically from industrial effluents. Agro-industrial effluent (AIE) from biorefineries that contain high concentrations of COD and color are discharged into the ecosystem. Thus, the AIE from these biorefineries requires treatment prior to discharge. Therefore, the effectiveness of a continuous flow bioreactor system (CFBS) in the treatment of AIE using hybrid waste sludge biochar (HWSB) was investigated. The use of a bioreactor with hydraulic retention time (HRT) of 1–3 days and AIE concentrations of 10–50% was used in experiments based on a statistical design. AIE concentration and HRT were optimized using response surface methodology (RSM) as the process variables. The performance of CFBS was analyzed in terms of COD and color removal. Findings indicated 76.52% and 66.97% reduction in COD and color, respectively. During biokinetic studies, the modified Stover models were found to be perfectly suited for the observed measurements with R2 values 0.9741 attained for COD. Maximum contaminants elimination was attained at 30% AIE and 2-day HRT. Thus, this study proves that the HWSB made from biomass waste can potentially help preserve nonrenewable resources and promote zero-waste attainment and principles of circular economy

1,3-Bis[(E)-(3-bromobenzylidene)amino]propan-2-ol

1,3-Bis[(E)-(3-bromobenzylidene)amino]propan-2-ol Schiff base was synthesized in an acceptable yield by condensation of 3-bromobenzaldehyde with 1,3-diaminopropan-2-ol in methanol. The structure of the desired Schiff base compound was spectroscopically analyzed by EI-MS, CHN-elemental analysis, FT-IR, UV-visible, and 1H and 13C-NMR. The structure was also computed by DFT-optimization, MEP, Mulliken, NPA, IR- B3LYP/6-311++G(d), and SCF-TD-DFT

Impact of Commercial Sugar as a Substrate in Single-Chamber Microbial Fuel Cells to Improve the Energy Production with Bioremediation of Metals

Microbial fuel cells (MFCs) have emerged as a viable method for bioremediation of toxic metals while also producing energy. In this paper, we examine the issue of organic substrate as a source of metabolism for microbe growth in MFC, as well as its significance for metal ion degradation in tandem with energy production. This study focused on the use of commercial sugar as an organic substrate in a single-chamber MFC. The MFC was operated for 27 days, with the highest voltage of 150 mV achieved on day 12, and toxic metal bioremediation efficiencies of 89%, 76.45%, and 89.45% for Pb2+, Cd2+, and Hg2+, respectively. Every 24 hours, the organic substrate (sugar solution) was fed into the cell. This study’s mechanism of metal ion degradation and electron transport is also thoroughly described. In addition, some future views have been highlighted

1,3-Bis{[(E)-(9-ethyl-9H-carbazol-3-yl)methylene]amino}propan-2-ol

Condensation of 1,3-diaminopropan-2-ol with 9-ethyl-9H-carbazole-3-carbaldehyde in absolute ethanol under stirring condition resulted in the formation of 1,3-bis{[(E)-(9-ethyl-9H-carbazol-3-yl)methylidene]amino}propan-2-ol within 0.5 in an excellent yield. The structure of the desired Schiff base was physically analyzed via CHN-elemental analysis, TOF-MS, UV-vis, FT-IR, and 1H & 13C-NMR. Computational studies of the structure were performed at the DFT/B3LYP/6-311++G(d) level of theory. Molecular electrostatic potential (MEP), Mulliken charge, IR-B3LYP, and structure optimization were performed

Ecological risk assessment of heavy metals in surface sedments collected from Haqal coastal waters (Tabuk region), Saudi Arabia

Haqal is a small city located in north-western part of Arabian Peninsula. The anthropogenic activities in this region are evident. This region is targeted for future development by Saudi government. In this study, the surface sediment of Haqal coastal waters were analysed for heavy metals (Cd, Cu, Fe, Ni, Pb, and Zn). The total concentration (mg/kg dry weight) ranged from 0.012-0.186 for Cd, 0.582-1.13 for Cu, 0.51-2.18 for Ni, 0.68-2.64 for Pb, 1.97-4.52 for Zn while for Fe, it ranges from 0.155 to 0.254%. Based on ecological risk assessment results, the values of PERI were categorised as 'low ecological risk', thus all sampling sites were unpolluted with heavy metals. Despite that, this monitoring study had a positive result for non-heavy metal pollution, future mitigation of the heavy metal pollution in coastal areas of Tabuk should be given priority by the authorities. The present study can be considered as the first effort to monitor the pollution of heavy metals in Haqal. This provides baseline information for future ecotoxicological studies which can involve application of bioindicators to assess the quality of the marine environment in this region

Removal of Lead(II) from Synthetic Wastewater by Lavandula pubescens Decne Biosorbent: Insight into Composition–Adsorption Relationship

In this work, the widely-abundant, cheap, wild plant Lavandula pubescens Decne was evaluated as an adsorbent for removing Pb(II) ions from wastewater. The chemical composition of the plant was partially isolated and characterized by the corresponding techniques, including gas chromatography–mass spectrometry, gas liquid chromatography, and FTIR spectroscopy. The adsorption capacity of the dried plant material for Pb(II) ions increased with increasing contact time, initial ion concentration, and temperature, while it decreased with increasing adsorbent dosage. The optimum condition for Pb(II) adsorption was determined as 550 mg/L initial metal concentration, pH ≤ 7, and 90 min of contact. The best fit for Pb(II) adsorption isotherms was the linear form of the Freundlich model; however, the maximum capacity indicated by Langmuir was 91.32 mg/g. The experimental data fit better the pseudo-second-order kinetic model (R2 = 0.969), suggesting chemisorption process. Thermodynamic data revealed an endothermic, nonspontaneous, and adsorption process favored at higher concentrations

Exo double left right arrow Endo Isomerism, MEP/DFT, XRD/HSA-Interactions of 2,5-Dimethoxybenzaldehyde: Thermal, 1BNA-Docking, Optical, and TD-DFT Studies

The exo double left right arrow endo isomerization of 2,5-dimethoxybenzaldehyde was theoretically studied by density functional theory (DFT) to examine its favored conformers via sp(2)-sp(2) single rotation. Both isomers were docked against 1BNA DNA to elucidate their binding ability, and the DFT-computed structural parameters results were matched with the X-ray diffraction (XRD) crystallographic parameters. XRD analysis showed that the exo-isomer was structurally favored and was also considered as the kinetically preferred isomer, while several hydrogen-bonding interactions detected in the crystal lattice by XRD were in good agreement with the Hirshfeld surface analysis calculations. The molecular electrostatic potential, Mulliken and natural population analysis charges, frontier molecular orbitals (HOMO/LUMO), and global reactivity descriptors quantum parameters were also determined at the B3LYP/6-311G(d,p) level of theory. The computed electronic calculations, i.e., TD-SCF/DFT, B3LYP-IR, NMR-DB, and GIAO-NMR, were compared to the experimental UV-Vis., optical energy gap, FTIR, and H-1-NMR, respectively. The thermal behavior of 2,5-dimethoxybenzaldehyde was also evaluated in an open atmosphere by a thermogravimetric-derivative thermogravimetric analysis, indicating its stability up to 95 degrees C

Spectroscopic Insight into Tetrahedrally Distorted Square Planar Copper(II) Complex: XRD/HSA, Physicochemical, DFT, and Thermal Investigations

The reaction of bidentate N-S-thione-Schiff base, (E)-benzyl 2-(1-(4-chlorophenyl)-ethylidene)hydrazinecarbodithioate, with Cu(NO3)2·3H2O produced a cis-Cu(II) complex. The molecular structure was confirmed and characterized by CHN-EA, FAB-MS, IR, and UV-Vis analyses. The XRD supported cis-isomer of the bis anionic bidentate N (azomethine) and S (thiol) ligand coordination mode in tetrahedrally distorted square planar, rarely reported in the literature. The results of the XRD-bond lengths were in perfect agreement with the density functional theory (DFT) calculation. DFT-calculated angles around the Cu(II) center displayed slightly less distortion around the metal center from those of XRD. Additionally, the thermal stability of the complex was evaluated via thermal gravimetric analysis (TGA). Two-dimensional fingerprint (2D-FP), Hirshfeld surface analysis (HSA), and molecular electrostatic potential (MEP) support the XRD-packing results with the existence of the H⸱⸱⸱Cl and CH⸱⸱⸱π bonds as the main interactions in the crystal lattice of the desired complex