A novel Cu( ii )-based metal–formate framework, RbCu(HCO 2 ) 2 Cl (1), has been synthesized and fully characterized, and its magnetic properties and biological activity have been examined.

This article presents an in-depth study on the antioxidant activity and structural properties of 3 ',4-dimethyl-3phenyl-3 ',4 '-dihydro-1 ' H,4H-spiro[isoxazole-5,2 '-naphthalene]-1 '-one, referred to as DPS. Crystallographic analysis revealed its orthorhombic crystal system with a space group of P212121, elucidating its unique structure. Hirshfeld surface analysis highlighted the intermolecular interactions governing the crystal packing. The antioxidant activity of DPS was evaluated using DPPH and ABTS radical scavenging assays, showing significant activity with IC50 values of 0.078 mg/mL and 0.059 mg/mL, respectively. The integrated DFT-molecular docking approach provided valuable insights into the electronic properties of the DPS ligand and its binding affinity toward NADPH oxidase. These results highlight the antioxidant potential of DPS and warrant further investigation.

New open-framework oxalate (H2en)[Mg(H2O)2(C2O4)2] (1) (en = ethylenediamine) was prepared and characterized by single-crystal X-ray diffraction as well as FTIR (Fourier Transform Infrared spectroscopy). The new compound (1) crystallizes in the monoclinic space group C2/c with the following cell parameters (& Aring;, degrees): a = 15.2637 (9), b = 6.5380 (3), c = 12.8832 (7) and beta = 98.429 (5). The hybrid magnesium oxalate compound was investigated for its potential as a sorbent for the adsorptive removal of methylene blue (MB) dye. The adsorption study proceeded gradually, with 100% removal efficiency at an initial MB concentration of 25 ppm. UV/Vis spectrophotometry was used to control the adsorption process. First-principles density functional theory (DFT) calculations with the PBE-GGA approximation were used to determine the electronic and optical properties, yielding an indirect band gap of 4.85 eV.

The isostructural hybrid phosphites (C2H10N2)[Mn(H2PO3)2Cl2] and (C2H10N2)[Ni(H2PO3)2Cl2] were synthesized as corrosion inhibitors using wet chemical methods and characterized through single-crystal X-ray diffraction, infrared spectroscopy, and thermal stability analysis via TGA-DTA. Their corrosion inhibition performance for C38 in 1 M HCl solution was assessed using electrochemical impedance spectroscopy (EIS) and the potentiodynamic polarization technique. Both isostructural hybrids revealed significant anti-corrosion activity with inhibition efficiencies of 84 and 73

Coordination nickel pyrophosphate (C4H12N2)[Na2Ni(H2O)2(HP2O7)2] was synthesized via a wet chemistry route and characterized by means of single-crystal X-ray diffraction. It crystallizes in the triclinic system (S.G: P-1), cell parameters (& Aring;, degrees): a/alpha = 5.9615(2)/90.630(3), b/beta = 6.6605(3)/103.440(3), c/gamma = 11.3105(5)/ 94.014(3), V = 435.56(3) & Aring;3 and Z = 1. The crystal structure is a 2D layered anionic structure [Na2Ni(H2O)2(HP2O7)2]2-counterbalanced by organic [C4H12N2]2+ cations, further stabilized by O-H & ctdot;O and N-H & ctdot;O hydrogen bonds. The IR spectrum shows the expected bands of piperazine and phosphate groups. Thermogravimetric analysis showed that dehydration occurs in three steps, corresponding to the loss of water and the organic moiety. The Hirshfeld surface and 2D fingerprint plots have been performed to explore the features of crystal cohesion. The main contributions come from O...H/H...O contacts. (C4H12N2)[Na2Ni(H2O)2(HP2O7)2] displayed antimicrobial activity against both Gram-negative and Gram-positive bacteria in vitro.

Correction for ‘A multifunctional octacalcium phosphate pentahydrate with dual environmental and biomedical functions: efficient dye removal, potent antimicrobial activity, and ionic regulation in physiological media’ by Mohammed Zerrouk et al. , RSC Adv. , 2026, 16 , 32849–32864, https://doi.org/10.1039/d6ra01926a.

The pollution of industrial effluents by hazardous heavy metals, particularly lead (Pb2+), constitutes a significant environmental dilemma owing to their inherent toxicity, persistence in the environment, and propensity for bioaccumulation. In this regard, a novel composite of brushite and polyethylene glycol 6000 (PEG6000) was synthesized utilizing a dissolution–precipitation methodology to augment the stability and adsorption efficacy of unmodified brushite. FTIR confirmed the coexistence of phosphate and PEG6000 functional groups, with slight shifts indicating interfacial interactions. SEM–EDS analyses revealed a homogeneous morphology and appropriate elemental composition (Ca, P, O, and C). TGA/DTA demonstrated brushite stability up to ∼200 °C and the successful incorporation of PEG6000. X-ray diffraction (XRD) analysis, combined with Rietveld refinement, confirmed a phase-pure orthorhombic structure with good reliability factors. Notably, the refinement enabled accurate determination of the electron density distribution within the unit cell using the GFourier method, providing detailed insight into bonding charge density, chemical bonding, and atomic interactions within the composite. Batch adsorption assays revealed that the elimination of Pb2+ is influenced by variables such as thermal conditions, initial heavy metal concentration, pH levels, and duration of contact. The findings from the experiments were consistent with the Langmuir isotherm model, suggesting a maximum adsorption capacity of 34.53 mg/g for the composite, which exceeds that of unmodified brushite. Kinetic investigations conformed to a pseudo-second-order (PSO) model. Thermodynamic assessments suggested that the process is characterized as both spontaneous and endothermic in nature. Theoretical analyses grounded in RDG and NCI methodologies substantiated that the adsorption of Pb2+ is primarily driven by coordination interactions, hydrogen bonding, and van der Waals forces, thereby underscoring the considerable potential of the brushite/PEG6000 composite for applications in wastewater treatment.

Catalytic sulfoxidation of 1,3-bis(para-tolyl sulfide)-5-tert-butylbenzene in order to obtain sulfones and sulfoxides, was carried out using three decavanadate (V10O28)6- containing catalysts. Reaction conditions were varied to evaluate different parameters of the process; the tested procedures followed the guidelines of green chemistry. To align with these principles, reaction parameters were optimized at room temperature using environmentally benign solvents, including methanol, ethanol, iso-propanol, water, and ethylene glycol, as well as their mixtures with toluene. In this study we present a fast and environmentally friendly procedure to obtain sulfonyl and sulfinyl containing compounds through sulfoxidation of bis-thioether 1,3-bis(para-tolyl sulfide)-5-tert-butylbenzene.

This study aimed to provide the first comprehensive characterization of the seed oil of Stachys germanica ssp. cordigera (Lamiaceae), an underexplored species, with a focus on its chemical composition, physicochemical parameters, and antioxidant potential. The oil was analyzed by GC-MS to determine fatty acid methyl ester composition, and physicochemical parameters were measured according to standard methods. Antioxidant activity was assessed using DPPH, total antioxidant capacity (TAC), and ferric reducing antioxidant power (FRAP) assays. The oil was rich in unsaturated fatty acids, particularly linoleic (35.0%) and oleic acids (31.1%), and uniquely contained 6-octadecynoic acid (6.5%), a rare acetylenic fatty acid with reported bioactivities. Physicochemical values (acid value 3 mg KOH/g; saponification value 188.8 mg KOH/g; iodine value 112 g I2/100 g; peroxide value 13 meq O2/kg) were within Codex Alimentarius standards. Antioxidant testing showed 62% DPPH inhibition (IC50 = 1.10 +/- 0.25 mg/mL), TAC = 50.4 +/- 1.7 mg AAE/g, and FRAP = 45.2 +/- 1.8 & micro;mol Fe2+/g at 1 mg/mL. Antioxidant activity was moderate compared to BHT but comparable to several natural edible oils. This work provides the first detailed report of Stachys germanica ssp. cordigera seed oil, highlighting its distinctive composition and antioxidant properties. While its acetylenic fatty acid content underscores chemotaxonomic and potential bioactive significance, further studies are required to confirm in vivo activities, assess toxicity, and evaluate scalability before industrial applications can be considered.

Background/Objectives: Metal-based coordination compounds are attracting attention in medicinal inorganic chemistry because changes in the metal centre can influence their physicochemical properties and biological responses. This study aimed to evaluate two isostructural ammonium-M(II) hydrogenophosphite hydrates, (NH4)2[Mg(H2O)6]3(HPO3)4 (complex 1) and (NH4)2[Co(H2O)6]3(HPO3)4 (complex 2), as bioactive systems with potential anticancer and anti-inflammatory properties. Methods: The complexes were synthesized and characterized by X-ray powder diffraction (XRPD), Fourier-transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), density functional theory (DFT) calculations, and Hirshfeld surface analysis. Their cytotoxic activity was evaluated against B16-F10, HT29, HepG2, and HL-60 tumour cell lines. For complex 2, apoptosis, cell-cycle distribution, and mitochondrial membrane potential were analysed by flow cytometry. Nitric oxide production was measured in LPS-stimulated RAW 264.7 macrophages. Results: Complex 2 showed the highest cytotoxic activity, particularly against HL-60 leukaemia cells (IC50 = 36.98 μg/mL), whereas complex 1 displayed weaker activity. Complex 2 increased apoptotic cell populations, altered cell-cycle distribution, and induced mitochondrial membrane depolarization in HL-60 cells. Both complexes reduced nitric oxide production, with complex 2 showing the strongest effect (IC50 NO = 22.46 μg/mL), exceeding that of diclofenac under the experimental conditions, while complex 1 showed comparable activity to the reference drug. DFT descriptors indicated higher electronic reactivity for complex 2. Conclusions: Replacement of Mg(II) by Co(II) enhances the biological activity of this hydrogenophosphite framework. Complex 2 combines cytotoxic activity against HL-60 cells with apoptosis-associated mitochondrial dysfunction and NO-inhibitory activity in activated macrophages, supporting hydrogenophosphite-based metal complexes as bioactive coordination compounds with potential as multifunctional agents.

Strontium molybdate nanopowders, SrMoO4, were synthesized by calcination of an oxalate complex at 700 °C. The oxalate precursor was characterized by Fourier-transform infrared (FTIR) spectroscopy and thermogravimetric analysis (TGA). The synthesized strontium molybdate was subsequently analyzed by X-ray powder diffraction (XRD), Raman spectroscopy (RS), Scanning electron microscopy (SEM), and Energy-dispersive X-ray spectroscopy (EDX). The synthesized materials were evaluated for their catalytic performance in the Knoevenagel condensation of different aromatic aldehydes with malononitrile at room temperature, and the results were compared.

Medicinal and aromatic plants from the Comoros Islands are a potential source of unexploited bioactive compounds. This study investigates the chemical composition and biological properties of essential oils (EOs) from three emblematic Comorian plants: Syzygium aromaticum (L.) Merr. L.M.Perry (clove), Cananga odorata (Lam.) Hook. f. Thomson (ylang-ylang), and Zingiber officinale Roscoe (ginger). EOs were characterized using gas chromatography coupled with mass spectrometry (GC–MS). Antioxidant activities were evaluated using the DPPH and molybdenum-reducing power methods, while antimicrobial properties were determined by the microdilution method against various pathogenic strains. A mixture design was applied to optimize EO combinations, identifying significant synergies in their biological activities. GC–MS analysis revealed that the major compounds in S. aromaticum EO were cinnamal (53.23

A hybrid composite based on a metal–organic framework (MOF), zeolitic imidazolate framework-8 (ZIF–8), and hydroxyapatite (HAp) was successfully synthesized via a straightforward and reproducible approach to address the limitations of MOFs in practical applications. While MOFs are well known for their high surface area and tunable porosity, their limited stability can restrict their use in aqueous systems. The integration of ZIF–8 with hydroxyapatite provides a synergistic platform that enhances structural robustness and surface reactivity while maintaining the intrinsic adsorption properties of the MOF. The resulting ZIF–8@HAp composite was characterized by powder X-ray diffraction (PXRD), Fourier-transform infrared spectroscopy (FTIR), and scanning electron microscopy (SEM), which confirmed both the preservation of the crystalline of the ZIF–8 and its successful integration onto the HAp matrix, while interfacial interaction mechanisms in the ZIF-8@HAp composite were elucidated via NCI, RDG, HS, and fingerprint plot analyses. Brunauer–Emmett–Teller (BET) analysis revealed a high specific surface area along with a well-structured and accessible pores. The adsorption performance of the composite was investigated using malachite green as a model organic dye. To evaluate process efficiency and optimize operational conditions, particular emphasis was placed on continuous fixed-bed column adsorption. The influence of key parameters, namely flow rate and bed height, was systematically examined to determine optimal working conditions. The results clearly indicated that these variables play a critical role in governing adsorption efficiency. Under optimal conditions (Q = 0.1 mL/min and H = 30 cm), a maximum adsorption capacity of 100.08 mg/g was achieved, underscoring the strong potential of this material for wastewater treatment. Overall, these findings demonstrate that ZIF–8@HAp is a promising, efficient, and stable MOF-based adsorbent for environmental remediation applications.

Ca8(HPO4)2(PO4)4·5H2O, (OCP), has been successfully synthesized via a wet chemical precipitation method. The analysis of the structure and identification of the composition were performed using X-ray diffraction (XRD), and Rietveld refinement was applied to confirm phase purity. The refined results indicated the formation of highly crystalline octacalcium phosphate with no detectable secondary phases. Fourier-transform infrared spectroscopy (FTIR) confirmed the presence of characteristic phosphate functional groups and water molecules. TGA shows that the thermal decomposition of the synthesized OCP leads to the release of water molecules, while scanning electron microscopy (SEM) revealed a plate-like morphology and a homogeneous calcium-to-phosphorus distribution, supporting its suitability for antimicrobial applications. Hirshfeld surface analysis (HSA) indicates that the structural integrity of OCP pentahydrate is predominantly governed by extensive hydrogen bonding. The synthesized material showed a BET surface area of 87.80 m2 g-1 and favorable adsorption for methylene blue dye (MB) from aqueous solutions, with an adsorption capacity of 8.05 mg g-1 for an initial concentration of 10 ppm. Thermodynamic studies show that the sorption of MB onto OCP is spontaneous and endothermic. The sorption kinetics of MB on OCP fit the pseudo-second-order model better than the pseudo-first-order model, resulting in a higher correlation coefficient (R 2 > 0.99). OCP demonstrated potent bactericidal activity against all tested bacteria, with MIC and MBC values ranging from 0.14-0.28 mg mL-1 and 0.29-0.56 mg mL-1, respectively, exhibiting the highest efficacy against S. aureus, and B. cereus. Furthermore, the ionic concentrations in simulated body fluid (SBF) were monitored in the presence of the synthesized material to evaluate its bioactivity.

Chemical synthesis, single-crystal X-ray diffraction, and theoretical methods (DFT study, HSA, ESP, and NCI) were used to elucidate the structural, electronic, and intermolecular properties of the new zinc phosphite, [Na2Zn (HPO3)2 center dot 3H2O]. It crystallizes in the triclinic system (P1), Z = 2 with the cell parameters a = 7.6343 (4) & Aring;, b = 7.6597 (4) & Aring;, c = 8.4340 (5) & Aring;, alpha= 80.327 (5), beta= 75.397 (5) degrees, gamma= 79.279 (4) degrees, V = 465.11 (5) & Aring;3. The tetrahedral HPO3 and ZnO4 share corners to form chains along the a-axis, which interact via an intricate network of hydrogen bonds. The compound was characterized by Fourier transform infrared spectroscopy (FTIR) and thermal analysis (TGA-DTA). The former confirmed the presence of phosphite groups and coordinated water molecules through their characteristic vibrational bands, while the latter demonstrated that the compound remains stable up to 98 degrees C, followed by a mass loss attributed to dehydration. The intermolecular interaction features were analyzed by Hirshfeld Surface analysis. The results indicate that this structure is stabilized by strong O-H center dot center dot center dot H-O interactions and also considerable H-H contacts. Density Functional Theory (DFT) calculations were performed to evaluate the crystal's chemical reactivity and electronic properties. The energy gap of the newly synthesized zinc phosphite is 4.978 eV. Furthermore, the molecular electrostatic potential (ESP) map was used to depict the electron density distribution and reactive sites. Furthermore, Non-Covalent Interaction (NCI) analysis was conducted to characterize the weak intermolecular interactions that contribute to the formation and stabilization of the crystal packing.

Nanopowders of magnesium aluminate spinel (MgAl 2 O 4 ) were produced using a solid‐state approach, involving a reaction between magnesium nitrate, aluminum nitrate, and oxalic acid. The synthesized nanomaterials’ structural, morphological, and catalytic properties were examined by XRD, FTIR, TGA, SEM, EDX, BET, and TEM analyses. To evaluate their catalytic performance, the photocatalytic degradation of Rhodamine B (RhB) dye under Xenon lamp irradiation was investigated. Therefore, the combined application of photocatalysis and adsorption processes has proven to be highly effective for removing RhB from aqueous solutions. Notably, the highest removal efficiency, reaching 95% after 120 min, was obtained through photocatalytic degradation under Xe lamp irradiation.

Nanopowders of magnesium aluminate spinel (MgAl2O4) were produced using a solid-state approach, involving a reaction between magnesium nitrate, aluminum nitrate, and oxalic acid. The synthesized nanomaterials' structural, morphological, and catalytic properties were examined by XRD, FTIR, TGA, SEM, EDX, BET, and TEM analyses. To evaluate their catalytic performance, the photocatalytic degradation of Rhodamine B (RhB) dye under Xenon lamp irradiation was investigated. Therefore, the combined application of photocatalysis and adsorption processes has proven to be highly effective for removing RhB from aqueous solutions. Notably, the highest removal efficiency, reaching 95% after 120 min, was obtained through photocatalytic degradation under Xe lamp irradiation.

This work focused on the synthesis of Hexaaquamagnesium(II) hydrogenphosphite, Mg(H2O)6.HPO3, 1. The structural analysis reveals that the crystalline framework, composed of Mg(H2O)62+ cations and HPO32- anions, features a magnesium ion in an octahedral arrangement, flanked by six oxygen atoms originating from water molecules and phosphite ions. The three-dimensional framework is stabilized by an extended set of intermolecular hydrogen bonds between hydrogen atoms on coordinated water molecules and oxygen atoms in the phosphite units. The functional groups were confirmed using Fourier-transform infrared spectroscopy (FTIR). TGA–DSC reveals a single endothermic dehydration step (∼48% mass loss) due to loss of six coordinated water molecules, yielding a stable anhydrous MgHPO3 with no further thermal decomposition up to 350 °C. The reactivity and electronic properties were investigated using DFT calculations performed with the DMol3 code, including solvent effects modeled through the COSMO approach. In addition, the anticorrosion properties of Hexaaquamagnesium(II) hydrogenphosphite hexahydrate have been evaluated in an acid medium (HCl 1 M) on C38 steel, employing electrochemical techniques (Tafel polarization, EIS impedance). The inhibition efficiency reached 85.82% and 89.73% based on potentiodynamic polarization and EIS measurements, respectively, attributed to the formation of a protective film that suppresses both cathodic and anodic reactions. This sorption follows the Langmuir-isotherm model, which suggests an electrostatic interaction between phosphite anions and the metal substrate. Complementary theoretical studies have established a correlation between electronic reactivity and inhibitory activity, opening up prospects for the rational design of phosphite inhibitors.

In this contribution, we report on the synthesis and characterization of a novel biologically active Cu(ii)-based paddle-wheel (PW) metal-organic framework (MOF), RbCu(HCO2)2Cl (1). Single-crystal X-ray diffraction results confirmed a monoclinic unit cell with space group P21/n and the Rb+ cation as a counter-balanced ion located in the cavities of the framework of the dinuclear copper-copper dimer formed by a PW-arrangement of formate anions in the syn-syn configuration. Each Cu(ii) atom has a square-pyramidal environment with a Cu & ctdot;Cu intramolecular distance of 2.7070 (7) & Aring;. The IR spectrum confirms the existence of the formate anion (HCO2-). Magnetic susceptibility experiments, performed from 5 to 300 K, revealed a strong antiferromagnetic coupling (J = -531 cm-1) between the two Cu2+ ions linked by four formate groups. The powder EPR spectra show the typical lines of the triplet state (S = 1) with significant zero-field splitting, attributed to Cu2+-Cu2+ dimers. In vitro antibacterial activity was evaluated against two Gram-positive bacteria (Staphylococcus aureus CECT 86 and Listeria monocytogenes CECT 4031) and two Gram-negative bacteria (Escherichia coli CECT 99 and Klebsiella pneumoniae CECT 143T). The studies revealed that MOF 1 exhibits both bacteriostatic and bactericidal activity against all the microorganisms analyzed, making it a potential candidate for treating bacterial infections. The obtained findings provide more insight into the interesting properties of Cu-based frameworks and antibacterial activity.