Chemical Interactions provides a comprehensive platform for chemists and interdisciplinary researchers to share innovative work that advances the understanding of chemical systems and interactions. The journal is committed to fostering scientific dialogue and publishing impactful research that reflects the evolving landscape of modern chemistry. ISSN 3050-2624 The journal welcomes both full research articles and review articles that contribute to the advancement of chemical sciences. Our scope encompasses, but is not limited to: Inorganic, Organic, and Physical Chemistry Analytical and Environmental Chemistry Computational and Theoretical Chemistry Materials Chemistry and Nanotechnology Medicinal, Pharmaceutical, and Biological Chemistry Coordination and Organometallic Chemistry Supramolecular and Green Chemistry Chemical Kinetics and Reaction Mechanisms Surface Chemistry and Catalysis Chemical Education and Industrial Applications Chemical Interactions particularly encourages submissions that explore the relationships, mechanisms, and dynamics of chemical processes, as well as studies that integrate experimental and computational approaches.
Synthesis and Biological Evaluation of a Copper(II) Complex Incorporating a Multidentate Bipyridine-Carboxamide Ligand
A novel Cu(II) complex containing a bipyridine-based amide ligand was successfully synthesized and characterized using FT-IR,H-NMR,13C-NMR, and mass spectrometry. Spectroscopic analyses confirmed the proposed chemical structures and indicated coordination to the Cu(II) center through nitrogen donor atoms. The antibacterial activities of both the free ligand and its Cu(II) complex were evaluated against Staphylococcus aureus and Escherichia coli. While the free ligand showed negligible antibacterial activity, the synthesized Cu(II) complex exhibited significant, concentration-dependent inhibitory effects against both bacterial strains. To complement the experimental findings, molecular docking studies were conducted against bacterial target proteins (PDB IDs: 6MH4 and 6QF6). The computational results revealed favorable binding energies of -6.49 and -6.46, kcal/mol, respectively, establishing stable non-covalent interactions within the active sites. These combined experimental and theoretical results demonstrate the promising antibacterial potential of the synthesized Cu(II) complex, highlighting its suitability for further bioinorganic and medicinal chemistry applications.
Copper(II) complex; Bipyridine ligand; Carboxamide; Antibacterial activity; Molecular docking; Bioinorganic
Copyright (c) 2026 Chemical Interactions https://creativecommons.org/licenses/by-nc/4.0
Synthesis of Poly(Acrylic Acid-co-Acrylamide) Hydrogel for Adsorptive Removal of Crystal Violet Dye from Aqueous Solution: Experimental Investigation Combined with a DFT/TD-DFT and Molecular Dynamics Study
The discharge of synthetic dyes from textile, paper and printing effluents continues to be one of the more troubling sources of water pollution, and finding affordable, easy-to-prepare adsorbents to deal with these contaminants remains a pressing problem. In the present study, a poly(acrylic acid-co-acrylamide) [P(AAc-co-AAm)] hydrogel was prepared by free-radical copolymerization using N,N′-methylenebisacrylamide (MBA) as a crosslinker and ammonium persulfate (APS) as a thermal initiator. The resulting network was characterized using FT-IR and field-emission scanning electron microscopy, both of which confirmed the successful crosslinking and revealed a fairly open, sponge-like internal architecture. The hydrogel was then evaluated for its ability to remove crystal violet (CV) from aqueous media. The maximum adsorption capacity reached 312.5 mg g⁻¹ at pH 7 and 25 °C. The kinetic data were best described by the pseudo-second-order model (R² = 0.998), while the equilibrium data fit the Langmuir isotherm well. Thermodynamic parameters confirmed that the adsorption was spontaneous and mildly endothermic. DFT and TD-DFT calculations were performed at the B3LYP/6-311++G(d,p) level in the PCM water medium, including geometry optimization, frontier-orbital analysis, MEP mapping, theoretical UV-Vis and IR spectra, and Mulliken/NBO charge analysis. Classical MD simulations of the CV–polymer complex in explicit water were also carried out over 50 ns. The simulated UV-Vis spectrum (λmax ≈ 588 nm) reproduces the experimental absorption maximum very closely, and the MD-derived interaction energy (−38.2 kcal mol⁻¹) is in good agreement with the BSSE-corrected DFT value.
Poly(acrylic acid-co-acrylamide); Hydrogel; Crystal violet; Adsorption; Langmuir isotherm; DFT calculations; TD-DFT; Molecular dynamics; NBO analysis; MEP.
Isotherm and mechanism investigation of low-cost activated carbon from colocynth (Citrullus colocynthis) rind for Congo Red removal from textile effluent
Textile wastewater carrying synthetic azo dyes is still one of the more stubborn environmental burdens in arid regions, and Congo Red (CR) in particular is awkward to treat because of its bulky aromatic backbone and high solubility. In the present work an inexpensive activated carbon, here denoted CRAC, was produced from colocynth (Citrullus colocynthis) rind, a desert agricultural residue that is plentiful and normally thrown away. The precursor was impregnated with phosphoric acid and carbonised at 500 °C, then characterised by FTIR, XRD and FESEM together with N₂ adsorption–desorption analysis. A BET surface area of 712 m² g⁻¹ was obtained, with a largely amorphous and microporous texture. Batch experiments were used to study the influence of pH, adsorbent dose, contact time, initial dye concentration and temperature. The largest uptake was found at pH 3, where the protonated carbon surface favours electrostatic attraction toward the sulfonate groups of the dye, and equilibrium was reached in roughly 90 min. The equilibrium data were best fitted by the Langmuir isotherm (R² = 0.998), yielding a monolayer capacity of 185.2 mg g⁻¹, while the kinetics followed a pseudo-second-order rate law. Thermodynamic parameters indicated that adsorption was spontaneous and endothermic. Spectroscopic shifts and modelling outcomes together pointed to a mixed mechanism in which electrostatic interaction, π–π stacking, hydrogen bonding and pore filling all play a part. Overall the results suggest that colocynth-rind carbon is a promising and economical adsorbent for treating CR-bearing textile effluent.
Activated carbon; Colocynth rind; Congo Red; Adsorption isotherm; Adsorption mechanism; Textile effluent.
Estimation and Study of Contamination by Elements (Ni, Cu, Mg, Sn) in Dust of Areas near Fuel Stations in Najaf Governorate
The research focused on studying and determining the levels of pollution in dust collected from various stations in the city of Najaf near fuel situations represented by four Fuel Situations (Soor Alnajaf Situation, Reebal Situation, Alkarar Situation, Alqudus Situation ), for this we selected 4 situations for current study, to determine the levels of pollution and compare them with the internationally permitted levels of elements (nickel, copper, and magnesium). Air pollution is one of the most dangerous types of pollution because it is difficult to control and address. However, air pollution has recently become a focus of attention as one of the most serious environmental problems facing the world, given its importance to our lives. Scientific studies and literature related to the concentration of heavy metals have focused on many important aspects of scientific research and have identified the role of industrial pollutants and smoke from fuel stations in increasing the concentration of many toxic and heavy metals. To reduce this pollution, numerous studies have been conducted to investigate the relationship between the concentration of heavy metals and many common diseases resulting from heavy metal pollution. To determine the concentration of heavy metals (Ni, Cu, Mg) in dust samples, we used a method to analyze and detect the concentration of metals in dust.
Synthesis and Characterization of Activated Carbon Prepared from Pomegranate Peel for Efficient Adsorptive Removal of a Cationic Dye
The accumulation of cationic textile dyes in natural waters is still a stubborn environmental problem, and low-cost adsorbents obtained from food waste continue to attract attention as a practical remedy. In the present work, activated carbon was prepared from pomegranate (Punica granatum) peel — an abundant agro-industrial residue — by chemical activation with KOH followed by carbonisation at 600 °C, and was then examined as an adsorbent for the removal of the cationic dye Basic Blue 41 (BB41) from aqueous solution. The textural and chemical features of the prepared carbon (denoted PPAC) were probed by Fourier-transform infrared spectroscopy (FTIR), X-ray diffraction (XRD) and field-emission scanning electron microscopy (FESEM); the analyses together described an amorphous, highly porous material (Sʙᴇᴛ = 875 m² g⁻¹, Vp = 0.52 cm³ g⁻¹, Dp = 2.8 nm) carrying oxygen-containing surface groups. Batch experiments evaluated the effect of solution pH (2–10), adsorbent dosage (0.5–3.0 g L⁻¹), contact time (0–180 min), initial dye concentration (25–200 mg L⁻¹) and temperature (298–328 K). The highest uptake was recorded at pH 8, where the dye removal reached 96.8 %. Kinetic data were better represented by the pseudo-second-order model (R² = 0.9985), which points to chemisorption as the rate-controlling step, while the equilibrium results were well described by the Langmuir isotherm with a monolayer capacity of 285.7 mg g⁻¹. The thermodynamic parameters indicated a spontaneous (ΔG° = −3.55 to −6.41 kJ mol⁻¹) and endothermic process (ΔH° = +24.85 kJ mol⁻¹; ΔS° = +95.3 J mol⁻¹ K⁻¹). Overall, the findings suggest that pomegranate-peel activated carbon is a cheap, effective and environmentally sound adsorbent for BB41-bearing effluents, and that valorising this waste offers a sensible route towards cleaner water treatment.
Pomegranate peel; Activated carbon; Basic Blue 41; Adsorption; Isotherm and kinetics; Wastewater treatment.
Analytical Quantification and Adsorptive Removal of Heavy Metal Ions from Water Using Advanced Nanomaterials: A Review
Heavy metal contamination of natural and engineered water systems remains one of the more stubborn environmental problems of our time, partly because the same ions that have to be removed must first be measured — often down to parts-per-billion levels — before any treatment decision can sensibly be made. Conventional practice has tended to treat detection and remediation as two separate problems, handled by different laboratories and very different instruments. This review takes a slightly different view. We focus on advanced nanomaterials — graphene and graphene oxide, carbon nanotubes, magnetic iron oxides, metal–organic and covalent organic frameworks (MOFs and COFs), mesoporous silicas, MXenes and various quantum dots — and we pay particular attention to the feature that ties their two roles together: the reactive surface. The abundance of accessible functional groups, the very high specific surface area and the tunable porosity that make these materials excellent adsorbents are, more or less, the same properties that make them sensitive sensing platforms. We summarise the principal detection strategies (anodic stripping voltammetry, fluorescent and colorimetric assays, surface-enhanced Raman scattering, and nanomaterial-assisted preconcentration for AAS/ICP-MS), then turn to adsorption mechanisms, isotherm and kinetic modelling, and the operational factors that govern uptake. A dedicated section examines the emerging class of dual-function platforms that detect and remove contaminants on a single surface. We close with the practical bottlenecks cost, regeneration, real-matrix interference and scale-up — that still stand between laboratory performance and field deployment.
Metal-Organic Frameworks in Water Treatment: A Review of Their Dual Role in Pollutant Sensing and Removal
The pollution of water with heavy-metal cations, synthetic dyes, antibiotics and other new contaminants is one of the most severe environmental challenges today, where the standard treatment chain rarely deals with the detection and removal of a contaminant in one go. Metal-organic frameworks (MOFs) are a remarkable type of crystalline porous materials constructed from metal nodes and organic linkers. The combination of ultrahigh surface area, variable pore chemistry and structural designability makes them interesting for dual purposes. This paper discusses the dual role that MOFs are increasingly expected to serve in water treatment, as sensitive probes reporting on the presence of a pollutant, and as adsorbents or photocatalysts that subsequently absorb or destroy it. First, we discuss the structural aspects governing MOF performance in aqueous conditions, and particularly highlight water stability, which has been the Achilles’ heel of the sector for a long time. We then survey the principal sensing modes luminescent, electrochemical and colorimetric together with the adsorptive and photocatalytic pathways exploited for removal. A dedicated section is devoted to bifunctional, “detect-and-remove” materials in which a single framework performs both tasks, often with parts-per-billion sensitivity and good recyclability. Representative performance data are tabulated, and the recurring mechanisms (photoinduced electron transfer, energy transfer, coordination and electrostatic interactions) are discussed. Finally, we consider the obstacles scalability, long-term stability and selectivity in real matrices that still separate laboratory demonstrations from field deployment, and we suggest where the field might usefully go next.
Green removal of Basic Blue 41 using activated carbon prepared from bitter orange (Citrus aurantium) peel: optimization and mechanism investigation
The discharge of synthetic dyes from textile and associated industries is still a serious environmental problem. There is considerable interest in the conversion of agricultural leftovers to cheap and effective adsorbents. In this work, activated carbon was prepared from the peel of bitter orange (Citrus aurantium) by chemical activation with ZnCl2 and its adsorption ability for the cationic dye Basic Blue 41 (BB41) from aqueous solution was studied. FTIR, XRD and FESEM characterisation of the prepared carbon (CAP-AC) indicated that the surface was oxygen-rich, very porous and mostly amorphous. Batch tests were conducted to optimise the essential operating variables including solution pH, adsorbent dosage, starting concentration, contact time and temperature. The maximum uptake was achieved at pH ~ 9, where the negatively charged surface (pHₚᴢᴄ=6.2) was conducive to electrostatic attraction to the protonated dye. The equilibrium data was best described by the Langmuir model, which corresponds to a monolayer capacity of 256.4 mg g-1 at 318 K, although the kinetics followed the pseudo second-order expression. Thermodynamic studies revealed that the reaction was spontaneous and endothermic (ΔH° = +21.7 kJ mol-1). The mechanistic interpretation revealed that the sorption was performed through the coaction of electrostatic contact, π-π stacking, hydrogen bonding and pore filling. The carbon retained about 82% of its initial efficiency after five regeneration cycles. These findings confirm that bitter orange peel, an abundant and otherwise discarded by-product, can be converted into an efficient and environmentally friendly adsorbent for the treatment of dye-laden wastewater.
Adsorptive removal of Basic Blue 41 dye from aqueous solution using quince (Cydonia oblonga) peel as a novel low-cost biosorbent: equilibrium, kinetics, and thermodynamic studies
Coloured effluents from the textile sector are still one of the more awkward problems in water treatment, and Basic Blue 41 (BB41) a cationic azo dye used for dyeing acrylic fibres is a good example of a colourant that is both visually persistent and biologically troublesome. In the present work the peel of quince fruit (Cydonia oblonga), an agricultural by-product that is normally thrown away, was examined as a cheap biosorbent for taking BB41 out of water. The raw peel was simply washed, dried, milled and used without any chemical or thermal activation. FTIR, XRD and FESEM were combined into a single characterization step to follow the surface chemistry and morphology of the material before and after dye uptake. Batch experiments looked at the influence of solution pH (2–10), biosorbent dose (0.4–3.0 g L⁻¹), contact time, initial dye concentration (25–200 mg L⁻¹) and temperature (298–328 K). Removal improved sharply as the pH rose, which agrees with electrostatic attraction between the protonated dye and the deprotonated surface groups, and equilibrium was reached in roughly 60 min. The equilibrium data were described best by the Langmuir model, giving a monolayer capacity of about 113.6 mg g⁻¹ at 298 K that increased with temperature to nearly 126 mg g⁻¹ at 328 K, while the kinetics obeyed the pseudo-second-order equation. The thermodynamic functions showed the process to be spontaneous, endothermic and accompanied by a rise in randomness at the solid–liquid interface. Overall, the findings indicate that quince peel is a practical, inexpensive adsorbent for the decolourisation of dye-bearing wastewater.
Ag/ZnO/Plant Extract Green Nanocomposite: A Review on Its Antibacterial, Antioxidant, Adsorption and Photocatalytic Potentials
Hybrid nanomaterials made of noble-metal nanoparticles, semiconducting metal oxides, and bioactive plant extracts are gaining popularity as sustainable multifunctional materials. Silver nanoparticles have a strong antimicrobial action and a localised surface plasmon resonance (LSPR) that extends light absorption into the visible region, ZnO has a wide-band-gap semiconductor with intrinsic antibacterial and photocatalytic activity, and the plant extract often acts as a reducing and capping agent. This review summarises the published literature on this composite with a focus on four functions: antimicrobial activity against Gram-positive and Gram-negative bacteria, antioxidant activity mostly determined by DPPH and ABTS assays, dye and heavy-metal adsorption from aqueous solutions, and photocatalytic degradation of organic pollutants under UV and visible light. The most popular synthesis processes-one-pot bio-mediated assembly, sequential green precipitation and post-impregnation are summarised and their effect on morphology, crystallinity and band gap is explored. Reported figures demonstrate clear synergistic enhancement compared with single-component or binary systems. In particular, under visible-light irradiation, the Ag-ZnO Schottky junction minimises electron-hole recombination. We also discuss practical prospects and limitations for future study, including Ag leaching, variability of plant extracts, long-term stability, and potential cytotoxicity.
Quantum-Scale Mechanisms of Nano-Adsorption on 2D Materials for Advanced Energy Storage Applications
Quantum-scale adsorption behavior of two-dimensional (2D) materials plays a crucial role in ion storage, charge transportation and surface redox activity of electrochemical energy storage devices. Here, we introduce a single quantum-mechanical approach to the analysis of nano-adsorption on four representative 2D materials graphene, MXenes, MoS₂ and phosphorene. By means of integrated density functional theory (DFT) calculations along with electrochemical measurements, we systematically probe the role of orbital hybridization and defect-induced electronic states in controlling adsorption energetics and ion storage performance. MXenes and phosphorene exhibit significantly more favorable lithium adsorption (Eads = −2.15 eV and −1.80 eV), respectively, than graphene and MoS 2, leading to higher specific capacities of 1050 and 1280 mAh g⁻¹.Through direct comparison between quantum-scale descriptors and measured electrochemical figures from multiple material families, this work provides a way to establish quantum-driven design principles for the rational development of next-generation 2D electrodes for both lithium-ion batteries as well as supercapacitors.
Quantum-scale adsorption; Two-dimensional materials; Density functional theory; MXenes; Phosphorene; Lithium-ion batteries; Supercapacitors
Synthesis, Spectroscopic Characterization, Biological Activity, and Molecular Docking Studies of a Novel Cu(II) Bipyridine-Based Complex
A newly synthesized multidentate ligand based on a 2,2'-bipyridine derivative and containing a diamide functionality was prepared and the resulting complex with copper (II) was studied for the ligand/copper-binding characteristics (despite the nature of being different). Preparation of the ligand was achieved through oxidation of the (describe a possible future event) or the 5,5'-dimethyl-2,2'-bipyridine compound to produce the acid derivatives, which were converted to acid chloride derivatives using thionyl chloride. In subsequent steps the acid chloride was reacted with Pipecolic Acid (Piperidine-2-carboxamide) to yield the diamide functionalized ligand (match each item with an appropriate subsequent item). The identities of the diamide-functionalized ligand and ligand/copper complex were confirmed by elemental analysis, HNMR., 13C NMR, FTIR, and mass spectrometry. The interactions between the ligand/copper complex and the target proteins (Staphylococcus aureus, a Gram positive bacteria, Gram negative Escherichia coli b) were documented through a molecular docking study. The binding energy, type of bond and length of the prepared molecules and amino acids in the complex have been studied. Each type of bond explained in the previous two paragraphs will be compared to the binding energy of the complex. The two types of bacteria used for testing will be the Gram-positive and Gram-negative. (e.g., Staphylococcus aureus.) The (useful in regulating the body) activity of the complex in stopping the action of both types of bacteria is being studied. Researchers evaluated the efficacy of an unprepared clinical [designated as 'complex N'] against bacteria in addition to evaluating the individual efficacy of [unprepared clinical] and [prepared clinical]. Additionally, they compared these results for all agents and found that 'complex N' had a substantially much higher positively-correlated effect than all other unprepared clinical agents.
5,5'-dimethyl-2,2'-bipyridine; Piperidine-2-carboxamide; Bipyridyl derivatives; Copper (II) complex; Ligand.
Review: Study of Physiochemical diagnosis of nanoparticles
The characterization or diagnosis of nanoparticles is a specialized area within nanometry. This field focuses on measuring and analysing the physical and chemical properties of molecules, particularly nanoparticles, which are designed based on their unique attributes. Unlike traditional chemicals, nanoparticles cannot be fully described solely by their chemical composition and concentration. They exhibit distinct physical properties, such as size, shape, surface characteristics, crystallinity, and dispersion state, which play a crucial role in defining their overall behaviour and functionality.
Spectrophotometric Analysis for Sulfamethoxazole Estimation Employing Potassium Permanganate as an Oxidant: A Study Exploring the Impact of Experimental Variables Using Design of Experiments and ANOVA
A selective and rapid spectrophotometric method for the determination of sulfamethoxazole was developed based on its oxidation with potassium permanganate in acidic medium. The effect of various crucial experimental parameters such as oxidant concentration, acid concentration, reaction temperature, and reaction time were examined. A 2³ full factorial design was employed to evaluate the individual effects of these factors as well as their interactions on the absorbance of the oxidation product. The maximum absorbance, the optimum temperature, and the optimal reaction time were determined, and ANOVA-based statistical analysis was performed to assess the significance of the studied variables. The developed procedure can be effectively applied for the quantitative determination of sulfamethoxazole in bulk drug, pharmaceutical formulations, and environmental water samples. The proposed method is simple, sensitive, precise, economical, and time-saving, and is suitable for routine analysis of sulfamethoxazole in pharmaceutical and environmental samples.
Folate-Conjugated EGCG-Capped Gold Nanoparticles for Receptor-Targeted Delivery to MCF-7 Breast Cancer Cells: Green Synthesis, Characterization and Selective Cytotoxicity
Breast cancer remains one of the leading causes of cancer-related mortality among women worldwide, and despite the progress made in conventional chemotherapy, the lack of selectivity between malignant and normal cells continues to limit therapeutic outcomes. In the present study, a folic acid-conjugated, epigallocatechin gallate (EGCG)-capped gold nanoparticle system (FA-EGCG-AuNPs) was developed and evaluated as a targeted delivery platform against folate receptor-positive MCF-7 breast cancer cells. The nanoparticles were prepared through a one-pot green synthesis in which EGCG served simultaneously as reducing and capping agent, a short cysteamine spacer was anchored to the gold core through Au–S chemistry to display surface primary amines, and folic acid was then coupled via EDC/NHS-mediated amide bond formation. Successful formation was confirmed by a characteristic surface plasmon resonance peak around 538 nm, while transmission electron microscopy revealed mostly spherical particles in the range of 14–28 nm. FTIR, XRD and zeta potential measurements supported the conjugation of EGCG and folic acid on the gold core. Surface FR-α expression was independently verified in all cell lines by Western blot and flow cytometry to ensure that uptake differences reflected genuine receptor density. The folate-functionalized nanoparticles displayed markedly higher cellular internalization in MCF-7 cells than their non-targeted counterparts, and the MTT assay produced an IC₅₀ of 12.4 µg/mL after 48 h of treatment, which was approximately 4-fold lower than that of free EGCG. Importantly, FA-EGCG-AuNPs were considerably less toxic to the non-cancerous HEK-293 line and to the tissue-matched non-malignant mammary line MCF-10A, giving renal- and mammary-tissue selectivity indices both above 4.5. Mechanistic studies indicated mitochondrial-mediated apoptosis driven by elevated ROS, depolarization of the mitochondrial membrane, caspase-3 activation, and arrest at the G2/M phase. Taken together, and acknowledging that MCF-7 is a moderate (not high) FR-α expressor and that in-vivo confirmation is still required, the data suggest that FA-EGCG-AuNPs could serve as a promising green theranostic candidate for targeted breast cancer therapy.
Benzimidazole Metal Complexes (Zn/Cu/Co): Ligand Protonation, Stability Constants, and Antimicrobial Performance
Coordination chemistry has concentrated on benzimidazole derivatives due to their various binding and biological characteristics. Benzimidazole-based ligands are coordinated with zinc(II), copper(II), and cobalt(II) metal ions in this work. We study thermodynamic stability constants, ligand protonation equilibria, and antibacterial activity. The imidazole ring's nitrogen atoms are donor sites, allowing stable metal complexes to form in many coordination geometries. Protonation experiments have indicated that substituent effects and the electronic nature of attached functional groups affect the basicity of benzimidazole nitrogen atoms. According to the Irving-Williams series, copper(II) complexes are the most stable, followed by zinc(II) and cobalt(II) derivatives. Potentiometric titration methods were used to estimate stability constants. The antibacterial properties of these metal complexes have been extensively tested against Gram-positive and Gram-negative bacteria and numerous fungus species. It appears that metal coordination improves the biological activity of benzimidazole ligands, with copper(II) complexes generally outperforming others. This review synthesises the results of many studies from the last decade to help researchers comprehend the structure-activity correlations in this important class of bioactive metal complexes.
Cross-linked HPMC-co-Acrylic Acid Hydrogel as a High-Capacity Adsorbent for Basic Red 9 Removal: Equilibrium, Kinetics and Mechanistic Insights
This study investigated a cross-linked hydrogel composed of hydroxypropyl methylcellulose grafted with acrylic acid (HPMC-co-AA) for the removal of Basic Red 9 (BR9) dye from water. The hydrogel was made via free radical polymerization with potassium persulfate (KPS) as an initiator and N,N'-methylenebisacrylamide (MBA) as a nitrogen cross-linker FTIR, XRD, and FESEM characterized the substance. FTIR spectra showed acrylic acid grafting onto HPMC chains, whereas XRD patterns showed the hydrogel's semi-crystalline structure. FESEM micrographs displayed holes that absorbed dye. Batch adsorption tests looked at how pH, contact time, initial dye concentration, and adsorbent dose affected how well the dye was removed. Adsorption was highest at pH 8.0 and reached equilibrium in 90 minutes. A pseudo-second-order model well characterized the kinetic data, indicating that chemisorption was the predominant process. The best Langmuir isotherm model showed that monolayer adsorption has a capacity of 142.86 mg/g. The results indicate that the HPMC-co-AA hydrogel may effectively absorb dye-contaminated wastewater in a cost-efficient manner.
Review: Recent Methods for Synthesis of Coumarin Derivatives and Biological Activity
Coumarin (2H-1-benzopyran-2-one) is a naturally found plant compound that exhibits a diverse of pharmacological activities. These exhibit anti-inflammatory, anticoagulant, antibacterial, antifungal, antiviral, antiadipogenic, anticonvulsant, antitubercular, antihypertensive, anticancer, antihyperglycemic, antioxidant, and neuro-preservative effects. Benzopyrone derivatives are ubiquitous in the human diet, as they occur in manifold foods notably vegetables, fruits, seeds, nuts, coffee, tea, and wine. Owing to their comparatively low toxicity, low cost, natural presence in foods, and integration in many herbal medicines, coumarins have attracted substantial scientific interest. Accordingly, in depth exploration of their biological properties and potential applications is imperative.
Electrochemical Deposition of Copper Oxide Nanoparticles for High-Performance Dye Sensitized Solar Cells ( DSSCs) Applications
The electrochemical production of copper oxide nanoparticles (CuO NPs) and their use in dye-sensitized solar cells (DSSCs) are described in this work. Using graphite as the cathode and copper foil as the anode, CuO NPs were created via electrochemical deposition under carefully regulated voltage and current conditions. The obtained CuO NPs' monoclinic phase, nanosheet-like morphology, and high purity were confirmed by structural and morphological characterizations carried out using energy-dispersive X-ray spectroscopy (EDX), transmission electron microscopy (TEM), field emission scanning electron microscopy (FESEM), and X-ray diffraction (XRD). The nanoparticles were then used as photoanodes in methyl orange dye-sensitized DSSCs. The open-circuit voltage (Voc) of 0.593 V, the short-circuit current density (Jsc) of 3.43 mA, and the fill factor (FF) of 49.4%, which correspond to a power conversion efficiency (PCE) of 2.67%, were obtained from current–voltage (I–V) measurements used to assess photovoltaic performance. The improved performance is ascribed to CuO NPs' advantageous optical and electrical characteristics, quick electron injection, and effective dye adsorption. These results show that CuO NPs produced electrochemically are viable and affordable options for DSSC applications, and they also help to develop sustainable photovoltaic technologies.
Copyright (c) 2025 Chemical Interactions https://creativecommons.org/licenses/by-nc/4.0
Interleukin-39 as a Potential Biomarker of Diabetic Neuropathy: A Case–Control Study with ROC Curve Analysis
Background: Diabetic neuropathy is considered the most common prevalent microvascular complication of type 2 diabetes mellitus, manifested by progressive nerve destruction resulting from metabolic and inflammatory mechanisms. The role of IL-39 as a novel pro-inflammatory mediator in diabetic neuropathy has not been clarified yet. Objective: To assess serum levels of IL-39 and evaluate its clinical diagnostic performance in patients with diabetic neuropathy. Methods: This case-control study recruited patients with diabetic neuropathy and healthy controls. Metabolic, glycemic, lipid, and insulin resistance parameters were assessed. Diagnostic accuracy assessed by serum levels of IL-39 measuring and ROC curve analysis was conducted. Results: High IL-39 levels of significance were recorded in diabetic neuropathy patients compared with healthy controls (P < 0.001). The result of ROC curve analysis shows high diagnostic accuracy, indicating strong discriminatory ability
Serum Interleukin-39 as an Emerging Inflammatory Biomarker in Diabetes Mellitus: Evidence from ROC Curve Analysis
Background: Diabetes mellitus is related to chronic low-level inflammation that leads to metabolic perturbations. Interleukin (IL)-39 is a novel cytokine, but its involvement in the pathogenesis of inflammation and diabetes has yet to be clarified. Objective: To measure serum IL-39 level and evaluate the diagnostic value of IL-39 in patients with diabetes mellitus. Methods: It was a case–control study with diabetic patients and controls. Anthropometric, glycemic, lipid, and insulin resistance measurements were determined. Serum IL-39 was quantified, and the diagnostic accuracy was determined on the basis of receiver operating characteristic (ROC) curve analysis. Results: The levels of serum IL-39 were higher in the diabetic patients than those in healthy controls (P < 0.001). The detection performance of IL-39 in the diagnosis of diabetic patients was well evaluated by ROC curve analysis with a large area under the curve. Circulating IL-39 was positively correlated with markers of glycemic disturbance and insulin resistance.
Correlation between Lung cancer and Serum Copper, Chromium and Zinc Levels in Najaf City, Iraq
Through the study, which included 30 samples of blood serum from cancer patients' lungs as well as 25 samples of healthy blood serum from both males and females, the concentrations of copper, chromium, and zinc were examined in parts per billion units, with the marginal concentrations for healthy males and females being high. This study supports the idea that exposure to copper, chromium, and zinc raises the risk of lung cancer. These discoveries have the potential to expedite lung cancer identification and therapy. To ascertain whether heavy metals play a part in the development of lung cancer, more investigations and studies including more samples are required
Impact of Environmental Factors (pH, Temperature, and Aeration) on the Efficiency of Phyto-Adsorption for Wastewater Treatment
Phyto-adsorption still is some lack of understanding in how environmental conditions affect treatment efficiency. Phyto-adsorption has been proposed as a cost-effective and environmentally friendly alternative to traditional wastewater approaches; however, these have not gained widespread use due to lack of full-understanding between environmental parameters and process efficiency. This paper systematically explored the influence of pH, temperature and aeration on phyto-adsorption performance according to fitted computational model of modified Langmuir isotherms with empirical environmental correction factors. We used a full simulation framework to test 525 combinations of parameters within a pH range of 7.0–9.0, temperature (20–40°C), and range of aeration rates at 1.0 –3.0 L/min; Depend on the adsorption result, it could be found that the maximum and minimum adsorption capacity was 0.1438 mg/g under optimal conditionand 0.0476 kg/mg respectively (202% of linear dynamic range). The greatest single factor was temperature (87.7%), followed by aeration (36.7%) and pH (19.0%). It discovered large synergistic effects, i.e. performance gains of joint optimization were much higher than the sum of individual parameter improvements. Sensitivity of temperature as the most salient condition for the enhancement of adsorption capacity was revealed in sensitivity analysis, and aeration arose as an explicative factor to operate the system tuning on-line. The model results agreed very well with experimental data available in the literature and demonstrated consistent linear behaviour at all operating ranges. These results are of great significance for rational construction and optimization of phyto-adsorption systems, reflecting that efficiency improvement would be considerable if the environmental process could be controlled deliberately. The findings highlight the requirement of multiparameter optimization strategies rather than single factor modifications to take full advantage of phytoremediation technologies for sustainable wastewater treatment purposes.
Phyto-adsorption, wastewater treatment, Langmuir isotherm, environmental factors, adsorption efficiency, pH optimization
Preparation, classification and importance of Schiff bases and their complexes/ Review
Evaluation Of Propolis Extract As A Natural Antimicrobial Agent Against Escherichia Coli
Propolis extract's antibacterial efficacy against bacterial isolates taken from enteritis patients was assessed in this study, with an emphasis on multidrug-resistant (MDR) Escherichia coli. The Vitek-2 compact system, morphological, biochemical, and culture techniques were used to identify Gram-positive and Gram-negative bacteria from a total of 30 clinical samples. E. Coli accounted for 30% of all Gram-negative pathogens, with Klebssiella pneumonia and Proteus mirabilis following closely after. High rates of resistance to various widely used antibiotics, such as erythromycin, doxycycline, colistin, and piperacillin, were found in E. coli isolates by antibiotic susceptibility testing; nevertheless, ciprofloxacin and cefotaxime continued to exhibit notable action. Using the disc diffusion method, propolis extract was produced in varying quantities and tested against isolates of MDR E. coli. The findings showed that propolis had a definite dose-dependent inhibitory effect, with certain isolates exhibiting inhibition zones that were on par with or greater than those of ciprofloxacin. At 100 mg/ml, the greatest action was seen, resulting in inhibition diameters of up to 26 mm. These results suggest that propolis has promising antibacterial properties and could be used as a supplemental or natural medicinal treatment to combat enteritis-causing bacteria that are resistant to antibiotics.
An overview of imidazole moieties and their derivatives synthesis and biological activity
Planar and composed of five heterocyclic parts, imidazole consists of two N and three C atoms. Positions one and three of ring N are accessible. Imidazole rings are present in several significant common compounds, like histidine, purine, histamine, and nucleic acid. Being an ionizable, polar, and aromatic material, it enhances the lead particles' pharmacokinetic burn properties. In this way, it is utilized as a solution for upgrading the dissolvability and bioavailability boundaries of proposed inadequately solvent lead particles. Imidazole subsidiaries have involved an exceptional spot in the field of restorative science. The joining of the imidazole core is a significant manufactured system in drug revelation. Numerous new chemotherapeutic specialists have been motivated to join the restorative scientific community due to the imidazole-related medications' excellent usefulness. Imidazole drug has widened the scope in rem eddying diverse, attitudes in clinical prescriptions. Various strategies for the amalgamation of imidazole and furthermore their different construction responses offer huge extensions in the field of restorative science. The scientific and organic activities of imidazole from previous years will be examined in this research.
Evaluating the Influence of Ionized Calcium Levels on Ovarian Reserve in Women Experiencing Infertility
This study investigates the relationship between serum ionized calcium levels and Anti-Müllerian hormone (AMH) in women facing infertility. Conducted with 45 pre-infertility females aged 20-35 from AL-Saader Medical City, the research compares these levels to a control group of healthy volunteers. The findings indicate that the infertility group exhibited significantly lower mean serum ionized calcium levels (4.25 ± 0.72 mg/dl) compared to the control group (5.33 ± 0.31 mg/dl), alongside higher parathyroid hormone (PTH) levels and lower AMH concentrations (2.35 ± 1.57 ng/dl vs. 4.53 ± 0.95 ng/dl). The study highlights a critical association between calcium equilibrium and reproductive capacity, suggesting that adequate ionized calcium levels are essential for ovarian function and may serve as a predictive marker for ovarian reserve. Future research should explore the underlying mechanisms of calcium's role in fertility, potentially guiding interventions for women experiencing infertility.
Estimating Natural Radioactivity Levels for Some Imported Tea Samples Available in Iraqi Markets
In this investigation, the specific activity concentrations of the radioactive nuclides Uranium- 238, Thorium- 232, and Potassium- 40 were measured in 15 commercial tea samples available in Iraqi markets using a gamma-ray spectrometry system. The 238U, 232Th, and 40k average specific activities from the samples, respectively, were 9.48±1.36, 2.91±0.45, and 597.78±14.90. The results of the health risk parameters: Radium equivalent, Internal hazard index, Annual Effective Dose, and Excess life time cancer risk, respectively, were found to be lower than the acceptable UNSCEAR permissible values. Therefore, the investigated tea samples have no health risks when used by Iraqi customers.
radioactive nuclides, specific activity, health risks, tea, Iraqi markets
QTAIM View of Pd…Pd Binding in Complex [Pd2(m-Cl) (m-P) (m-N) (m-O)]
The bonding in the Palladium tetra-bridge complex [Pd2(m-Cl) (m-P) (m-N) (m-O)] was investigated using "Atoms in Molecules theory (AIM)". The calculated topological parameters for M-M and M-L interactions, including ρ(b), ∇2ρ(b), G(b), H(b), V(b), and ε(b), as well as the delocalization indices δ(A, B), agree with previous results for organometallic compounds. The Pd1-O1, Pd-P, Pd-Cl, Pd-N and Pd2-O1 core component has a multicenter 3C-8e interaction. The bond critical point and bond bath vanish when four atoms are coordinated to the Pd atom. However, a non-zero delocalization index was computed for this bonding interaction. The estimated topological features for the Pd1-N, Pd1-Cl and Pd1-P bonds confirm that these interactions have a pure bond character. Delocalization indices for the Pd1-N, Pd1-Cl and Pd1-P bonds range in magnitude from 0.127 to 0.301, showing that each pair of linked atoms shares 0.3 to 0.1 electron pairs.
Theoretical Study on chemical reactivity of Giemsa Stain by using DFT method
Abstract Structural properties for the Giemsa stain have been calculated using the density functional theory (B3LYP/(6-31G) included in the Gaussian 09 software which depends on quantum mechanics applications to conduct the theoretical calculation necessary for this study. Chemical activity and influence of Giemsa stain have been calculated through the calculation of the total energy, Gibbs free energy, entropy, standard heat of formation, dipole moment, Millikan’s atomic charge, bonds lengths, angles and bents, highest occupied molecular orbital and lowest unoccupied molecular orbital in order to identify the initiation of cracking in the molecule of the stain. This study indicates that Millikan’s atomic charge is divided into two main areas: the positive charge of the electron density is centralized on the hydrogen atoms, while the negative charge of the electron density is centralized on nitrogen and sulfur. The atomic charge of Giemsa stain is distributed on different atoms, since the nitrogen atoms carry negative charge (N21، N30) equal to -0,474 and 0,706 coulomb, subsequently. It has also been clear from the calculation occupied molecular orbital energy which equals to (-0.27217 eV) and the lowest unoccupied molecular orbital energy which equals to (-0.22435 eV), since the bandgap equals to 0.04782 eV. This study shows that bonds in C2-H14 and N30-H32 are most probably to interact (weakest bonds) out of the other twenty three bonds in Giemsa stain with a high probability of entering the division prophase in dissociation.
Chemical Activity,Quantum Calculation Methods,Theoretical Chemistry