In this paper, we examine the optimal performance of silver (Ag), perovskite (MAPBr3) materials, and Hafnium Diselenide (HfSe2) layer-based surface plasmon resonance (SPR) sensors for detecting refractive indices (RI) between 1.33 and 1.335. The best sensitivity of 426.73 degrees/RIU is attained with layer thicknesses of 46 nm, 3 nm, and 1 nm for Ag, MAPBr3, and HfSe2, respectively. A comparative study produced superior results, with sensitivity values provided by several prisms, including CaF2-based SPR sensors, attaining maximal sensitivity. The suggested structure can also be a biosensor for SARS-CoV-2 virus diagnosis, as its RI values fall within the designated range. For SARS-CoV-2, a maximal sensitivity of 496.86 degrees/RIU is attained with a figure of merit (FoM) of 169.6 RIU-1. Additionally, we have discussed the machine learning (ML) optimization results for various performance parameters and demonstrated its ability to accurately predict sensor behavior. The effectiveness of the model was confirmed in this respect by means of thorough heat map and scatter plot analyses. A sensor based on Ag, MAPBr3, HfSe2, and sensing medium (SM) is theoretically proposed for medical diagnostics, particularly for the SARS-CoV-2 virus, to enhance sensitivity and improve performance. Also, the integration of machine learning in this study demonstrates excellent results.
A new copper(II) complex (C1), namely diaquabis(ethylenediamine-κ²N, N′)copper(II) bis(sulfadiazinate), was synthesized from the reaction of sulfadiazine and ethylenediamine with Cu(OAc)2·H2O in methanol. The complex was characterized by IR, UV–visible spectroscopy, and single-crystal X-ray diffraction (SC-XRD). The crystal structure revealed an octahedral geometry around the copper center, featuring a CuO2N4 coordination core with equivalent Cu–O and Cu–N bond lengths. The structure is stabilized by an extensive network of intermolecular hydrogen-bonding interactions of the O–H···O, O–H···N, and N–H···N types. Hirshfeld surface analysis (HSA) confirmed the significance of these interactions in the crystal packing of C1. Density functional theory (DFT) calculations were performed on sulfadiazine and three Cu(II) complexes; including: hexaaquacopper(II) ([Cu(H2O)6]2+), diaqua-bis(ethylenediamine)copper(II) ([Cu(En)2(H2O)2]2+), and tris(ethylenediamine)copper(II) ([Cu(En)3]2+). All complexes were optimized to geometries characteristic of Jahn–Teller elongation, with axial Cu–ligand bond lengths elongated relative to the equatorial bonds. Furthermore, in silico docking and antibacterial assays demonstrated the antibacterial potential of C1 against Gram-negative (E. coli ATCC 25922, K. pneumoniae ATCC 13883, A. baumannii ATCC 17978) and Gram-positive (L. monocytogenes ATCC 19114) strains.
The present study investigates the efficacy of CuAl materials derived from layered double hydroxides (LDH) in the advanced removal of organic matter and micropollutants (µP) in treated municipal wastewater from the M’sila region wastewater treatment plant, Algeria. The CuAl-CO3 LDH material was synthesized by coprecipitation, then transformed by calcination at 500°C and 950°C to obtain the mixed CuO/γ-Al2O3 (CuAl-500) and spinel CuO/CuAl2O4 (CuAl-950) oxides, respectively. The materials were characterized by their textural, electrochemical, and surface properties, revealing marked differences in specific surface area, band gap, and pHPZC. The catalytic performance of photocatalysis (UV), ozonation (O3), and photo-ozonation (UV + O3) processes was evaluated in terms of chemical oxygen demand reduction and degradation of µP identified by GC-MS. The results highlight distinct catalytic behaviors depending on the treatment process. Under ozonation conditions, CuAl-CO3 exhibited the highest catalytic efficiency due to its hydroxyl-rich surface and strong O3 activation ability. In contrast, CuAl-500 showed superior performance under UV and UV/O3 processes, owing to its optimized electronic conductivity, enhanced charge separation, and improved generation of reactive oxygen species (HO^∙/ O_2^∙-) . The combined UV + O3/CuAl-500 system achieved the highest mineralization and µP removal efficiency, together with improved energy efficiency.
As a part of the industrial process, dividing wall columns have become relatively one of the most widespread intensified separation technologies used in the petrochemical and chemical industries, conceived to reduce energy consumption and capital investment. In this work, two types of dividing wall distillation columns (DWC) have been proposed: a top-DWC and a modified full DWC designed to replace a deethanizer and depropanizer in a conventional fractionation unit applied for a hydrocarbon separation mixture. The goal of this work is to identify the most sustainable and efficient DWC column by minimizing the cooling medium demands. A shortcut method was implemented to define the initial design parameters of the two DWC columns required for a rigorous simulation using Aspen Hysys V14. The best operating parameters that satisfy the industrial products' purity and recovery ratio requirements were determined for both configurations of DWC columns. Through the thermodynamic efficiency and economic analysis, a modified full DWC was identified as the most suitable configuration for replacing a conventional deethanizer and depropanizer. This configuration offers a higher exergy efficiency, achieves lower operational cost, and contributes to a reduction in carbon dioxide emissions for the industrial application of the onshore LNG fractionation process.
The monotonic and cyclic behavior of T-stub connections reinforced with backing-plates is examined using both experimental testing and a numerical approach. Although previous research has addressed the effect of backing-plates under monotonic loading, the cyclic response of reinforced T-stubs, particularly the impact of backing-plate thickness on stiffness degradation and hysteretic stability, remains insufficiently investigated and is not explicitly addressed in current design provisions. Four T-stub specimens were experimentally tested under monotonic loading, with three specimens reinforced using backing-plates of varying thicknesses. These experimental results informed the development of a 3D finite element model in Cast3M, which simulated the tensile behavior of reinforced T-stubs with both single-row and double-row bolt configurations. The numerical model was validated using the present experimental data and reference results from the literature. Subsequently, a parametric study involving eleven numerical models was conducted to evaluate the influence of backing-plate thickness on bolt forces, prying forces, stress distribution, and stiffness. The validated model was further extended to cyclic loading conditions, following ECCS recommendations, to assess energy dissipation capacity, stiffness degradation, and hysteretic response under repeated loading. The findings indicate that appropriately dimensioned backing-plates substantially improve the static and cyclic performance of T-stub connections, while excessive thickness may negatively affect the cyclic response.
