The research demonstrates that thioether-based coordination complexes obtain their physicochemical properties and biological activity from both the metal ion type and the ligand molecular structure. The synthesized complexes showed tetrahedral coordination geometries, as evidenced by spectroscopic, magnetic, and conductivity measurements, which demonstrated that sulfur atoms function as the main donor sites. The behavior follows the soft donor–soft acceptor interaction framework, which allows the creation of stable metal–sulfur chemical bonds. The biological properties of metal coordination compounds produced better antibacterial effects than the unbound ligands. The improved results stem from two factors: enhanced lipophilicity after chelation, which enables better cell membrane penetration by bacteria, and decreased metal ion polarity due to electron delocalization within the chelate ring structure. The complexes become more accessible to the cell through these combined effects. The Ni(II) complex derived from ligand L1 exhibited the most effective antibacterial activity against both bacterial species. The d⁸ electronic configuration of Ni(II) leads to enhanced activity because it produces the best possible match between structural stability and electronic flexibility when the metal center binds to a tetrahedral coordination site. The compound shows better biological performance because its L1 structure contains a short ethylene bond, which produces a compact molecular arrangement that improves metal-sulfur bonding through its optimized metal-ligand electronic interactions. The research shows that thioether metal complexes exhibit antibacterial properties because their electronic structure interacts with their coordination and ligand structures in a combined manner, leading to the development of biologically active metal-based compounds.
This study investigates how plot morphology influences courtyard configuration in contemporary urban housing in Mosul, Iraq. Increasing urban density, reduced frontage widths, and smaller plot sizes have transformed the courtyard from a single traditional element into a morphology-responsive multi-courtyard system characterized by functional differentiation and spatial redistribution.A quantitative morphological methodology was applied to a purposive sample of 121 contemporary residential plans. Four measurable indicators were computed: Courtyard Area Ratio (CAR), Average Courtyard Size (ACS), Courtyard Count Ratio (CCR), and Courtyard Type Area Ratio (CTAR). Geometric data were extracted and statistically compared across plot-size and frontage-width categories.The results demonstrate that courtyard allocation is strongly governed by plot characteristics. CAR reached 11.15% in plots larger than 200 m² but declined to 5.41% in plots smaller than 130 m². Average courtyard size decreased from 8.25 m² to 3.60 m² across the same categories. Courtyard multiplicity ranged from 2.70 courtyards per dwelling in larger plots to 1.25 in compact plots. Functional distribution shifted from socially oriented courtyards in larger plots to environmentally driven lighting and ventilation courtyards in smaller plots.The findings confirm that the contemporary courtyard operates as an adaptive spatial system shaped by measurable morphological constraints. By linking courtyard typology quantitatively to plot area and frontage width, the study establishes an evidence-based framework for integrating responsive courtyard systems in high-density housing in hot-climate cities.
The stable metal complexes of transition metals with benzimidazole derivatives lead to improved physicochemical and biological properties of these compounds. The development of antimicrobial agents becomes possible through complex design based on benzimidazole-derived compounds. The research focused on creating and analyzing bis((1H-benzo[d]imidazol-2-yl)methyl)sulfane (L) as a benzimidazole-derived ligand and studying its Mn(II), Co(II), Ni(II), Cu(II), and Zn(II) metal complexes. The researchers synthesized the ligand and its metal complexes through sequential steps before using elemental analysis and FTIR and UV–Vis and 1H-NMR and conductivity and magnetic measurements for identification. The agar well diffusion method served to evaluate the antibacterial properties of the compounds against Staphylococcus aureus and Escherichia coli. The spectroscopic and analytical results showed that the imidazole nitrogen atoms of the ligand act as binding sites, while the thioether sulfur atom does not participate in coordination. The complexes showed tetrahedral structures that existed as [M(L)2]Cl2 or [M2(L)2(H2O)2]Cl2 compounds. The results from antibacterial tests revealed that metal complexation led to substantial improvements in biological activity. The Cu(II) complexes produced the largest inhibition zones, while the Zn(II) complexes showed the second-highest activity, and both complexes displayed better effects against S. aureus than E. coli. Benzimidazole-based ligands serve as effective building blocks for creating transition metal complexes, which show promising antimicrobial activity according to the research findings. The improved activity of Cu(II) and Zn(II) complexes indicates that chelation enhances both lipophilicity and bacterial membrane permeability.
The current research aims to evaluate the photocatalytic activity of (TiO2) with various loading ratios (5%-60%) supported on mesoporous aluminosilicate (zeolite type) called Siral, with aluminum content ranging from 20% to 70%, to enhance the performance of degradation of ibuprofen (IBP) as a pharmaceutical pollutant. The batch reactor is furnished with solarium light to simulate sunlight UV for efficient degradation. The supported substance (Siral) exhibits elevated surface area and a regular mesoporous structure; hence, it might be regarded as an efficient photocatalyst support. The characterizations and effectiveness of the prepared catalyst were achieved by X-ray diffraction (XRD), Brunauer-Emmett-Teller (BET), scanning electron microscopy (SEM) and UV-visible spectroscopy. The results exhibit the highest photo-degradation ratio (90%) for (60% TiO2/Siral40) after 4 hours. The highest surface area is 448.3685 m²/g for 15% TiO₂/Siral40. The photodegradation efficiency increases as the weight percentage of TiO2 particles rises from 5 to 60 %. TiO2/Siral NCs photocatalysts demonstrate remarkable photostability and reusability, especially in organic molecule degradation.
Abstract Background Methicillin-resistant Staphylococcus aureus (MRSA) is a significant clinical problem, the principal resistance determinant of which is the mecA gene. This paper uses extensive bioinformatics resources to determine Methicillin resistance gene A (mecA) on the various levels such as sequence analysis, phylogenetic reconstruction, prediction of protein structure and molecular docking. Methods We identified and used National Center for Biotechnology Information, GenBank, Clustal Omega, MEGA X, SWISS-MODEL, and AutoDock Vina to retrieve and analyze twenty-five mecA sequences in various strains of MRSA. Results Findings showed a high level of sequence conservation (97.2–99.8% identity) to the presence of absolutely conserved catalytic residues (Ser403, Lys406, Thr600). Phylogenetic studies confirmed that mecA was spread by horizontal gene transfer using Staphylococcal Cassette Chromosome mec (SCCmec) traveling elements. PBP2a was shown to have a constricted active site that was identified through three-dimensional modeling, which causes low beta-lactam affinity. Phenotypic resistance was described by the use of molecular docking indicating a weak binding of methicillin to PBP2a (-4.2 kcal/mol) in comparison to the native Penicillin-binding protein 2 (PBP2) (-7.5 kcal/mol). The functional analysis has determined that there are three domains and new motifs of PBP2a. Comparative analysis of SCCmec showed the presence of fourteen types (I-XIV) having different sizes and resistance genes. Conclusions These results offer a molecular understanding of resistance to methicillin and can be used as a guide to develop novel anti-MRSA drugs with potential therapeutic targets.
