Pub Date : 2026-01-03DOI: 10.1016/j.inoche.2026.116145
Lianyuan Ge , Delun Chen , Xiaohong Wang , Yi Li , Yuanyuan Wang , Yang Cao , Guangyuan Zhao
The escalating threat of antibiotic resistance necessitates urgent development of alternative antimicrobial agents. Herein, we engineered a Ti3C2/MoO3-x nanoplatform through MoO3-x modification of Ti3C2 synergistically integrating localized surface plasmon resonance (LSPR) effect and enhanced peroxidase-like (POD-like) activity for near-infrared (NIR)-activated antibacterial therapy. Leveraging the intrinsic POD-like activity of MoO3-x, the Ti3C2/MoO3-x nanoplatform exhibited enhanced catalytic capability for converting hydrogen peroxide (H2O2) into hydroxyl radicals (·OH). Under 808 nm NIR irradiation, the LSPR effect generated substantial heat and singlet oxygen (1O2), while the elevated temperature further amplified the POD-like activity of the composite, leading to accelerated ·OH production. This triple synergistic effect (photothermal, photodynamic and heat-enhanced nanozyme-catalyzed therapy) achieved rapid and potent antibacterial efficacy. In vitro studies demonstrated inactivation ratios of 96.3 % for Escherichia coli (using 0.03 % H2O2) and 99.2 % for Staphylococcus aureus (using 0.3 % H2O2) within 8 min. Our work provides a paradigm for designing nanozymes with thermally enhanced catalytic activity against antibiotic-resistant infections.
{"title":"Triple-modal antibacterial action: Integrating photothermal, photodynamic, and heat-amplified peroxidase-like activities in MoO3-x decorated Ti3C2","authors":"Lianyuan Ge , Delun Chen , Xiaohong Wang , Yi Li , Yuanyuan Wang , Yang Cao , Guangyuan Zhao","doi":"10.1016/j.inoche.2026.116145","DOIUrl":"10.1016/j.inoche.2026.116145","url":null,"abstract":"<div><div>The escalating threat of antibiotic resistance necessitates urgent development of alternative antimicrobial agents. Herein, we engineered a Ti<sub>3</sub>C<sub>2</sub>/MoO<sub>3-x</sub> nanoplatform through MoO<sub>3-x</sub> modification of Ti<sub>3</sub>C<sub>2</sub> synergistically integrating localized surface plasmon resonance (LSPR) effect and enhanced peroxidase-like (POD-like) activity for near-infrared (NIR)-activated antibacterial therapy. Leveraging the intrinsic POD-like activity of MoO<sub>3-x</sub>, the Ti<sub>3</sub>C<sub>2</sub>/MoO<sub>3-x</sub> nanoplatform exhibited enhanced catalytic capability for converting hydrogen peroxide (H<sub>2</sub>O<sub>2</sub>) into hydroxyl radicals (·OH). Under 808 nm NIR irradiation, the LSPR effect generated substantial heat and singlet oxygen (<sup>1</sup>O<sub>2</sub>), while the elevated temperature further amplified the POD-like activity of the composite, leading to accelerated ·OH production. This triple synergistic effect (photothermal, photodynamic and heat-enhanced nanozyme-catalyzed therapy) achieved rapid and potent antibacterial efficacy. <em>In vitro</em> studies demonstrated inactivation ratios of 96.3 % for <em>Escherichia coli</em> (using 0.03 % H<sub>2</sub>O<sub>2</sub>) and 99.2 % for <em>Staphylococcus aureus</em> (using 0.3 % H<sub>2</sub>O<sub>2</sub>) within 8 min. Our work provides a paradigm for designing nanozymes with thermally enhanced catalytic activity against antibiotic-resistant infections.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"186 ","pages":"Article 116145"},"PeriodicalIF":5.4,"publicationDate":"2026-01-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145915109","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-03DOI: 10.1016/j.inoche.2026.116142
Shakeel Ahmad , Seher Akbar , Muhmmad Imtiaz Rashid , Arshid Mahmood Ali , Aishah Binti Mahpudz , Khurram Shahzad
This study investigates the structural, electronic, mechanical, and optical properties of the hydride perovskites ScTiH3 and ScZrH3 in a stable cubic phase using the GGA-PBE technique. The energy band gap confirms their metallic nature. Their elastic constants confirm mechanical stability, with ScTiH3 showing greater stiffness due to higher bulk and shear moduli. Also, they demonstrate anisotropic, hard, and brittle features. The optical response indicates strong polarization and pronounced interband transitions characteristic of metallic hydrides. Importantly, both materials demonstrate high volumetric hydrogen storage capacities exceeding DOE 2025 targets. While ScTiH3 offers the most balanced performance owing to its higher gravimetric uptake. These results highlight ScTiH3 and ScZrH3 as promising candidates for dense solid-state hydrogen storage applications.
{"title":"Theoretical investigation of scandium perovskite hydrides ScTH3 (T = Zr, Ti) as promising hydrogen storage materials","authors":"Shakeel Ahmad , Seher Akbar , Muhmmad Imtiaz Rashid , Arshid Mahmood Ali , Aishah Binti Mahpudz , Khurram Shahzad","doi":"10.1016/j.inoche.2026.116142","DOIUrl":"10.1016/j.inoche.2026.116142","url":null,"abstract":"<div><div>This study investigates the structural, electronic, mechanical, and optical properties of the hydride perovskites ScTiH<sub>3</sub> and ScZrH<sub>3</sub> in a stable cubic phase using the GGA-PBE technique. The energy band gap confirms their metallic nature. Their elastic constants confirm mechanical stability, with ScTiH<sub>3</sub> showing greater stiffness due to higher bulk and shear moduli. Also, they demonstrate anisotropic, hard, and brittle features. The optical response indicates strong polarization and pronounced interband transitions characteristic of metallic hydrides. Importantly, both materials demonstrate high volumetric hydrogen storage capacities exceeding DOE 2025 targets. While ScTiH<sub>3</sub> offers the most balanced performance owing to its higher gravimetric uptake. These results highlight ScTiH<sub>3</sub> and ScZrH<sub>3</sub> as promising candidates for dense solid-state hydrogen storage applications.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"185 ","pages":"Article 116142"},"PeriodicalIF":5.4,"publicationDate":"2026-01-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145939612","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Two new monocopper(II) complexes [Cu(L1)(phen)](ClO4) (1) and [Cu(L2)(phen)](ClO4) (2) (where H(L1/L2) is a tridentate Schiff base ligand, and phen is 1,10-phenanthroline) were investigated as functional models for ascorbate oxidase (AOase), amine oxidase (AmOase), and catechol oxidase (COase). The X-ray crystal structure of 2 is distorted square pyramidal (τ5, 0.33). In solution, the electronic and EPR spectra of 1 and 2 reveal a distorted square pyramidal geometry with CuN4O chromophore. According to the DFT-optimized structure of 1 and 2 in CH3OH, the geometry is distorted square pyramidal (τ5: 1, 0.23; 2, 0.36). They exhibit the positive and reversible CuII/CuI redox process. The catalytic activity of 1 or 2 on the oxidation of ascorbic acid (H2A) to dehydroascorbic acid (dA), benzylamine (Ph-CH2-NH2) to benzaldehyde (Ph-CHO), or 3,5-di-tert-butylcatechol (3,5-DTBC) to 3,5-di-tert-butylquinone (3,5-DTBQ) was carried out spectrophotometrically in CH3OH or buffer solution with atmospheric O2 at 25 °C. The Michaelis-Menten model has been employed in kinetic studies, and turnover number (kcat) values have been measured. The oxidation ability of 1 and 2 is comparable; however, 2 performs better catalytically. The high kcat values are attributed to the chelate ring effect, structural distortion, facilitation of complex-substrate binding, structural lability, and facile interconversion between CuII and CuI. The spectral and electrochemical studies offer insights into the likely mechanism and reveal the uptake of atmospheric O2. As a result, the monocopper(II) complexes are promiscuous catalysts showing increased AOase, AmOase, and COase activity.
{"title":"Monocopper(II) complexes mimic the distinct oxidative roles of ascorbate, amine, and catechol oxidases: promiscuous catalysis in mild conditions","authors":"Vigneswara Chellam Ravisankar , Balasubramaniam Selvakumaran , Selvaraj Shanmugavadivel , Tamilarasan Ajaykamal , Mariappan Murali","doi":"10.1016/j.inoche.2025.116060","DOIUrl":"10.1016/j.inoche.2025.116060","url":null,"abstract":"<div><div>Two new monocopper(II) complexes [Cu(L<sup>1</sup>)(phen)](ClO<sub>4</sub>) (<strong>1</strong>) and [Cu(L<sup>2</sup>)(phen)](ClO<sub>4</sub>) (<strong>2</strong>) (where H(L<sup>1</sup>/L<sup>2</sup>) is a tridentate Schiff base ligand, and phen is 1,10-phenanthroline) were investigated as functional models for ascorbate oxidase (AOase), amine oxidase (AmOase), and catechol oxidase (COase). The X-ray crystal structure of <strong>2</strong> is distorted square pyramidal (τ<sub>5</sub>, 0.33). In solution, the electronic and EPR spectra of <strong>1</strong> and <strong>2</strong> reveal a distorted square pyramidal geometry with CuN<sub>4</sub>O chromophore. According to the DFT-optimized structure of <strong>1</strong> and <strong>2</strong> in CH<sub>3</sub>OH, the geometry is distorted square pyramidal (τ<sub>5</sub>: <strong>1</strong>, 0.23; <strong>2</strong>, 0.36). They exhibit the positive and reversible Cu<sup>II</sup>/Cu<sup>I</sup> redox process. The catalytic activity of <strong>1</strong> or <strong>2</strong> on the oxidation of ascorbic acid (H<sub>2</sub>A) to dehydroascorbic acid (dA), benzylamine (Ph-CH<sub>2</sub>-NH<sub>2</sub>) to benzaldehyde (Ph-CHO), or 3,5-di-<em>tert</em>-butylcatechol (3,5-DTBC) to 3,5-di-<em>tert</em>-butylquinone (3,5-DTBQ) was carried out spectrophotometrically in CH<sub>3</sub>OH or buffer solution with atmospheric O<sub>2</sub> at 25 °C. The Michaelis-Menten model has been employed in kinetic studies, and turnover number (<em>k</em><sub>cat</sub>) values have been measured. The oxidation ability of <strong>1</strong> and <strong>2</strong> is comparable; however, <strong>2</strong> performs better catalytically. The high <em>k</em><sub>cat</sub> values are attributed to the chelate ring effect, structural distortion, facilitation of complex-substrate binding, structural lability, and facile interconversion between Cu<sup>II</sup> and Cu<sup>I</sup>. The spectral and electrochemical studies offer insights into the likely mechanism and reveal the uptake of atmospheric O<sub>2</sub>. As a result, the monocopper(II) complexes are promiscuous catalysts showing increased AOase, AmOase, and COase activity.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"185 ","pages":"Article 116060"},"PeriodicalIF":5.4,"publicationDate":"2026-01-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145939714","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-02DOI: 10.1016/j.inoche.2025.116133
Yixi Lu, Donglan Lu, Bin Cao, Tingting Zhang, Hai Wu, Wanyin Wu, Chaoyong Deng, Weichao Huang
Optical thermometry has gained significant attention for its non-invasiveness, high sensitivity, and fast response. Herein, the Pr3+ activated La3SnGa5O14 optical thermometer phosphors were prepared by a high-temperature solid-state method, and their crystal structure, optical properties, and temperature sensitivity of the phosphors were investigated systematically. Under excitation at 450 nm, the La3SnGa5O14: Pr3+ phosphor exhibits emission bands ranging from the blue to red region. Notably, it was found that the intensity of emission peaking at 530 nm increases with rising temperature, showing a clear inverse temperature dependence compared with the other emission peaks. Based on the abnormal thermal quenching phenomenon, an optical thermometry model was developed using the fluorescence intensity ratio, exhibiting high performance with a maximum relative sensitivity of 0.788 % K−1 and absolute sensitivity of 6.452 % K−1. This indicates that La3SnGa5O14: Pr3+ phosphors have potential application value in the field of optical thermometry.
{"title":"Abnormal thermal quenching and temperature sensing properties of Pr3+ activated gallate phosphors for optical thermometry","authors":"Yixi Lu, Donglan Lu, Bin Cao, Tingting Zhang, Hai Wu, Wanyin Wu, Chaoyong Deng, Weichao Huang","doi":"10.1016/j.inoche.2025.116133","DOIUrl":"10.1016/j.inoche.2025.116133","url":null,"abstract":"<div><div>Optical thermometry has gained significant attention for its non-invasiveness, high sensitivity, and fast response. Herein, the Pr<sup>3+</sup> activated La<sub>3</sub>SnGa<sub>5</sub>O<sub>14</sub> optical thermometer phosphors were prepared by a high-temperature solid-state method, and their crystal structure, optical properties, and temperature sensitivity of the phosphors were investigated systematically. Under excitation at 450 nm, the La<sub>3</sub>SnGa<sub>5</sub>O<sub>14</sub>: Pr<sup>3+</sup> phosphor exhibits emission bands ranging from the blue to red region. Notably, it was found that the intensity of emission peaking at 530 nm increases with rising temperature, showing a clear inverse temperature dependence compared with the other emission peaks. Based on the abnormal thermal quenching phenomenon, an optical thermometry model was developed using the fluorescence intensity ratio, exhibiting high performance with a maximum relative sensitivity of 0.788 % K<sup>−1</sup> and absolute sensitivity of 6.452 % K<sup>−1</sup>. This indicates that La<sub>3</sub>SnGa<sub>5</sub>O<sub>14</sub>: Pr<sup>3+</sup> phosphors have potential application value in the field of optical thermometry.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"185 ","pages":"Article 116133"},"PeriodicalIF":5.4,"publicationDate":"2026-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145939661","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-02DOI: 10.1016/j.inoche.2025.116073
Sami Ullah Zia , Faisal Jamil , Haris Nadeem , Umar Sohail Shoukat , Nur Aisyah Mohamad Daud , Ching Kheng Quah , Ali Iftikhar , Muhammad Adnan Iqbal , Farah Ashraf , Rizwan Ashraf , Rimsha Kanwal , Amir Faisal , Ashfaq Ahmad , Tabinda Fatima
This work covers the synthesis of imidazole-based ligands and their respective metal complexes. Initially, four N-Alkylated imidazole ligands and their respective metal complexes were prepared. The synthesized compounds have been characterized through various modern analytical techniques such as FTIR, NMR, VSM and single-crystal XRD. Single-crystal XRD results revealed that the complex C2 crystallizes in the centrosymmetric space group, consisting of one unit of [Ni(C7N2H12)6]2+ and two counter ions. The central Ni2+ cation lies on a site of symmetry and is coordinated by six symmetry-related 3-s-butyl-imidazolyl ligands (L2), giving an almost regular octahedral environment. Magnetic measurements (VSM) showed the paramagnetic nature of the Ni(II) and Co(II) complexes. The In-vitro anticancer potential of these complexes was evaluated using the HCT116 cancer cell line. The complexes showed moderate anticancer activity, with C1 inhibiting the cell viability by ∼75 % at 50 μM. Moreover, the antibacterial activities of the complexes in Escherichia coli (Gram-negative) and Streptococcus pneumoniae (Gram-positive) revealed that the Ligand L1 to have potent antibacterial activity comparable to the antibiotic Nitrofurantoin. Photocatalytic degradation of Eriochrome Black T (EBT)-dye was evaluated by studying the effect of three parameters on the dye degradation and analyzing the result using RSM technique and CCD model. Among the tested complexes, C3 showed the highest dye degradation efficiency (83 %) under optimized conditions. The ESI-MS analysis was performed to study dye degradation and fragmentation patterns and this revealed that dye degradation occurred via azo bond cleavage and adduct formation with metal complexes. The results of our study highlight the potential of these metal complexes as multifunctional agents for both biomedical and environmental applications.
这项工作涵盖了咪唑基配体及其相应金属配合物的合成。首先，制备了四种n -烷基咪唑配体及其金属配合物。通过FTIR、NMR、VSM和单晶XRD等现代分析技术对合成的化合物进行了表征。单晶XRD结果表明，配合物C2在中心对称的Pa3¯空间群中结晶，由1个[Ni(C7N2H12)6]2+和2个NO3−反离子组成。中心Ni2+阳离子位于一个3¯对称的位置，并由6个对称相关的3-s-丁基咪唑配体（L2）协调，形成一个几乎规则的八面体环境。磁性测量（VSM）显示了Ni（II）和Co（II）配合物的顺磁性。利用HCT116癌细胞系对这些复合物的体外抗癌潜力进行了评价。该复合物显示出中等的抗癌活性，其中C1在50 μM下抑制细胞活力约75%。此外，配合物对大肠杆菌（革兰氏阴性）和肺炎链球菌（革兰氏阳性）的抑菌活性表明，配体L1具有与抗生素呋喃妥因相当的强效抑菌活性。通过研究三个参数对染料降解的影响，并利用RSM技术和CCD模型对结果进行分析，评价了光催化降解eriochromeblack T （EBT）染料的效果。在优化条件下，C3的染料降解效率最高，达到83%。ESI-MS分析研究了染料降解和破碎模式，结果表明染料降解是通过偶氮键裂解和金属配合物形成加合物进行的。我们的研究结果强调了这些金属配合物作为生物医学和环境应用的多功能剂的潜力。
{"title":"Nickel and cobalt based-octahedral complexes of N-alkylated imidazole for biological and photocatalytic applications: Synthesis, characterization, X-ray crystallography, and magnetic studies","authors":"Sami Ullah Zia , Faisal Jamil , Haris Nadeem , Umar Sohail Shoukat , Nur Aisyah Mohamad Daud , Ching Kheng Quah , Ali Iftikhar , Muhammad Adnan Iqbal , Farah Ashraf , Rizwan Ashraf , Rimsha Kanwal , Amir Faisal , Ashfaq Ahmad , Tabinda Fatima","doi":"10.1016/j.inoche.2025.116073","DOIUrl":"10.1016/j.inoche.2025.116073","url":null,"abstract":"<div><div>This work covers the synthesis of imidazole-based ligands and their respective metal complexes. Initially, four <em>N</em>-Alkylated imidazole ligands and their respective metal complexes were prepared. The synthesized compounds have been characterized through various modern analytical techniques such as FTIR, NMR, VSM and single-crystal XRD. Single-crystal XRD results revealed that the complex <strong>C2</strong> crystallizes in the centrosymmetric <span><math><mrow><mi>Pa</mi><mover><mn>3</mn><mo>¯</mo></mover></mrow></math></span> space group, consisting of one unit of [Ni(C<sub>7</sub>N<sub>2</sub>H<sub>12</sub>)<sub>6</sub>]<sup>2+</sup> and two <span><math><mrow><mi>N</mi><msubsup><mi>O</mi><mn>3</mn><mo>−</mo></msubsup></mrow></math></span> counter ions. The central Ni<sup>2+</sup> cation lies on a site of <span><math><mrow><mover><mn>3</mn><mo>¯</mo></mover></mrow></math></span> symmetry and is coordinated by six symmetry-related 3-s-butyl-imidazolyl ligands (<strong>L2</strong>), giving an almost regular octahedral environment. Magnetic measurements (VSM) showed the paramagnetic nature of the Ni(II) and Co(II) complexes. The In-vitro anticancer potential of these complexes was evaluated using the HCT116 cancer cell line. The complexes showed moderate anticancer activity, with <strong>C1</strong> inhibiting the cell viability by ∼75 % at 50 μM. Moreover, the antibacterial activities of the complexes in <em>Escherichia coli</em> (Gram-negative) <em>and Streptococcus pneumoniae</em> (Gram-positive) revealed that the Ligand <strong>L1</strong> to have potent antibacterial activity comparable to the antibiotic Nitrofurantoin. Photocatalytic degradation of Eriochrome Black T (EBT)-dye was evaluated by studying the effect of three parameters on the dye degradation and analyzing the result using RSM technique and CCD model. Among the tested complexes, <strong>C3</strong> showed the highest dye degradation efficiency (83 %) under optimized conditions. The ESI-MS analysis was performed to study dye degradation and fragmentation patterns and this revealed that dye degradation occurred via azo bond cleavage and adduct formation with metal complexes. The results of our study highlight the potential of these metal complexes as multifunctional agents for both biomedical and environmental applications.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"185 ","pages":"Article 116073"},"PeriodicalIF":5.4,"publicationDate":"2026-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145939670","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-02DOI: 10.1016/j.inoche.2026.116138
Mohammed Jaafar Ali Alatabe
This study presents the development of a novel and sustainable adsorbent-catalyst, ionic liquid (IL)-functionalized and manganese (Mn) nanoparticle-impregnated activated carbon (IL-Mn/AC), derived from banana peel biomass, for the efficient removal of tetracycline (TC) from wastewater via a persulfate-activated process. The work addresses the urgent need for cost-effective and environmentally friendly solutions for pharmaceutical contaminant degradation. Characterization by SEM confirmed the successful impregnation of uniformly dispersed Mn nanoparticles onto the highly porous activated carbon matrix, preventing agglomeration and enhancing active site accessibility. FTIR spectroscopy verified the covalent grafting of the ionic liquid, indicating the formation of new CN and CH bonds, which contribute to enhanced TC capture through synergistic hydrophobic and electrostatic interactions. XPS analysis further elucidated the co-existence of active Mn(II) and Mn(III) species, with a high proportion of Mn(III) identified as crucial for initiating persulfate (S2 O8−2) activation. While IL and Mn incorporation slightly reduced BET surface area, the engineered mesoporous structure facilitated optimal diffusion of TC and oxidant molecules, overcoming mass transfer limitations. Performance evaluation demonstrated maximum TC degradation efficiency in the near-neutral pH (7.0), balancing TC speciation for adsorption with efficient sulfate radical generation. Optimal catalyst (1.0 g/L) and persulfate dosage were established, highlighting the delicate balance between active site availability and radical self-quenching. Reaction kinetics revealed a rapid initial phase dominated by adsorption and activation, followed by a slower steady-state limited by mass transfer and Mn regeneration. This sustainable IL-Mn/AC nanocomposite offers a promising, high-performance solution for advanced oxidation processes, contributing significantly to wastewater treatment and environmental remediation efforts.
{"title":"Ionic liquid-functionalized and manganese nanoparticle impregnated by sustainable activated carbon prepared from Banana Peel for tetracycline wastewater treatment","authors":"Mohammed Jaafar Ali Alatabe","doi":"10.1016/j.inoche.2026.116138","DOIUrl":"10.1016/j.inoche.2026.116138","url":null,"abstract":"<div><div>This study presents the development of a novel and sustainable adsorbent-catalyst, ionic liquid (IL)-functionalized and manganese (Mn) nanoparticle-impregnated activated carbon (IL-Mn/AC), derived from banana peel biomass, for the efficient removal of tetracycline (TC) from wastewater via a persulfate-activated process. The work addresses the urgent need for cost-effective and environmentally friendly solutions for pharmaceutical contaminant degradation. Characterization by SEM confirmed the successful impregnation of uniformly dispersed Mn nanoparticles onto the highly porous activated carbon matrix, preventing agglomeration and enhancing active site accessibility. FTIR spectroscopy verified the covalent grafting of the ionic liquid, indicating the formation of new C<img>N and C<img>H bonds, which contribute to enhanced TC capture through synergistic hydrophobic and electrostatic interactions. XPS analysis further elucidated the co-existence of active Mn(II) and Mn(III) species, with a high proportion of Mn(III) identified as crucial for initiating persulfate (S<sub>2</sub> <!-->O<sub>8</sub><sup>−2</sup>) activation. While IL and Mn incorporation slightly reduced BET surface area, the engineered mesoporous structure facilitated optimal diffusion of TC and oxidant molecules, overcoming mass transfer limitations. Performance evaluation demonstrated maximum TC degradation efficiency in the near-neutral pH (7.0), balancing TC speciation for adsorption with efficient sulfate radical generation. Optimal catalyst (1.0 g/L) and persulfate dosage were established, highlighting the delicate balance between active site availability and radical self-quenching. Reaction kinetics revealed a rapid initial phase dominated by adsorption and activation, followed by a slower steady-state limited by mass transfer and Mn regeneration. This sustainable IL-Mn/AC nanocomposite offers a promising, high-performance solution for advanced oxidation processes, contributing significantly to wastewater treatment and environmental remediation efforts.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"185 ","pages":"Article 116138"},"PeriodicalIF":5.4,"publicationDate":"2026-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145939608","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-02DOI: 10.1016/j.inoche.2025.116132
J.L. Mercy , Fahd A. Nasr , Mohammed Al-zharani , Manickam Rajkumar , Manivannan Govindasamy , Pachaiyappan Murugan , Dharmalingam Kirubakaran
Salvia coccinea, a traditionally valued medicinal plant, is recognized for its rich phytochemical profile and therapeutic potential. In this study, TiO₂-coated chitosan nanoparticles (TiO₂-CS NPs) were synthesized through a green, eco-friendly approach using S. coccinea leaf extract as a reducing and stabilizing agent. The nanoparticles were characterized by UV–Vis spectroscopy, FTIR, XRD, FE-SEM and EDAX analyses. UV–Vis spectra exhibited a distinct absorption peak at 285 nm, confirming nanoparticle formation. FTIR results indicated the presence of functional groups such as alkenes and carboxylic acids, suggesting their role in nanoparticle stabilization. XRD patterns confirmed the crystalline nature of TiO₂-CS NPs, while FE-SEM images revealed predominantly spherical structures. EDAX analysis verified the elemental composition of titanium, oxygen, and carbon. The particle size measurements ranged between 14.8 nm and 48.8 nm, confirming their nanoscale dimension. Biological evaluation demonstrated that TiO₂-CS NPs possess potent antioxidant activity, achieving 85.26 % DPPH radical scavenging. Anti-inflammatory assays, including protein denaturation inhibition (77.17 %) and HRBC membrane stabilization (72.66 %), revealed significant protective effects. Moreover, the nanoparticles enhanced wound healing, particularly at higher concentrations (23.88 μg/mL), as evidenced by accelerated cell migration and tissue repair. Overall, the green-synthesized TiO₂-CS NPs derived from S. coccinea exhibit multifunctional bioactivities, highlighting their potential as promising agents for biomedical applications.
{"title":"Green engineered TiO₂-chitosan nanoparticles using Salvia coccinea leaf extract: In-vitro antioxidant and anti-inflammatory potential for wound healing properties","authors":"J.L. Mercy , Fahd A. Nasr , Mohammed Al-zharani , Manickam Rajkumar , Manivannan Govindasamy , Pachaiyappan Murugan , Dharmalingam Kirubakaran","doi":"10.1016/j.inoche.2025.116132","DOIUrl":"10.1016/j.inoche.2025.116132","url":null,"abstract":"<div><div><em>Salvia coccinea</em>, a traditionally valued medicinal plant, is recognized for its rich phytochemical profile and therapeutic potential. In this study, TiO₂-coated chitosan nanoparticles (TiO₂-CS NPs) were synthesized through a green, eco-friendly approach using <em>S. coccinea</em> leaf extract as a reducing and stabilizing agent. The nanoparticles were characterized by UV–Vis spectroscopy, FTIR, XRD, FE-SEM and EDAX analyses. UV–Vis spectra exhibited a distinct absorption peak at 285 nm, confirming nanoparticle formation. FTIR results indicated the presence of functional groups such as alkenes and carboxylic acids, suggesting their role in nanoparticle stabilization. XRD patterns confirmed the crystalline nature of TiO₂-CS NPs, while FE-SEM images revealed predominantly spherical structures. EDAX analysis verified the elemental composition of titanium, oxygen, and carbon. The particle size measurements ranged between 14.8 nm and 48.8 nm, confirming their nanoscale dimension. Biological evaluation demonstrated that TiO₂-CS NPs possess potent antioxidant activity, achieving 85.26 % DPPH radical scavenging. Anti-inflammatory assays, including protein denaturation inhibition (77.17 %) and HRBC membrane stabilization (72.66 %), revealed significant protective effects. Moreover, the nanoparticles enhanced wound healing, particularly at higher concentrations (23.88 μg/mL), as evidenced by accelerated cell migration and tissue repair. Overall, the green-synthesized TiO₂-CS NPs derived from <em>S. coccinea</em> exhibit multifunctional bioactivities, highlighting their potential as promising agents for biomedical applications.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"186 ","pages":"Article 116132"},"PeriodicalIF":5.4,"publicationDate":"2026-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145924266","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-02DOI: 10.1016/j.inoche.2025.116134
Mohamed Hassoun , Kamal Assiouan , Abdelwafi Degdagui , Hatim Baida , Mustapha El Hadri , Abderrahman El Kharrim , Adil Marjaoui , Mohamed Zanouni
Lead-free halide double perovskites represent a promising class of sustainable materials for next-generation optoelectronic and photocatalytic applications, offering an optimal balance between chemical stability and environmental safety. In this work, first-principles density functional theory (DFT) is employed to systematically explore the pressure-dependent evolution (0–50 GPa) of the structural, electronic, elastic, and optical properties of A2YAgZ6 (A = Cs, Rb; Z = I, Br). Structural optimization confirms retention of the cubic symmetry under hydrostatic compression, accompanied by significant lattice contraction and a moderate decrease in thermodynamic stability. All compositions remain stable across the pressure range, with Br-based variants exhibiting greater robustness. The computed elastic constants reveal substantial enhancements in mechanical strength and ductility with increasing pressure. Electronic structure analysis shows progressive bandgap narrowing for example, from 2.44 eV to 1.56 eV in Cs₂YAgI6 alongside asymmetric changes in carrier effective masses, suggesting improved hole mobility but reduced electron mobility. Optical properties are markedly enhanced under pressure, with increased absorption coefficients, dielectric constants, and refractive indices, particularly in bromide systems. These results establish A₂YAgZ6 as pressure tunable, lead free semiconductors with strong potential for next generation optoelectronic and photocatalytic technologies.
无铅卤化物双钙钛矿代表了下一代光电和光催化应用的一种有前途的可持续材料，在化学稳定性和环境安全性之间提供了最佳平衡。本文采用第一性原理密度泛函理论（DFT）系统地探讨了A2YAgZ6 （A = Cs, Rb; Z = I, Br）的结构、电子、弹性和光学性质的压力依赖演化（0-50 GPa）。结构优化证实了在流体静力压缩下立方Fm¯3m对称性的保留，伴随着显著的晶格收缩和热力学稳定性的适度下降。所有成分在整个压力范围内保持稳定，br基变体表现出更强的稳健性。计算得到的弹性常数表明，随着压力的增加，材料的机械强度和延性显著增强。电子结构分析显示，Cs₂yag6的带隙逐渐缩小，从2.44 eV缩小到1.56 eV，载流子有效质量也发生了不对称变化，这表明空穴迁移率提高了，但电子迁移率降低了。光学性质在压力下显著增强，吸收系数、介电常数和折射率增加，特别是在溴化物体系中。这些结果表明，A₂YAgZ6是一种压力可调的无铅半导体，在下一代光电和光催化技术中具有强大的潜力。
{"title":"Pressure-induced bandgap tuning and optical enhancement in A2YAgZ6 (a = Cs, Rb; Z = I, Br) double perovskites","authors":"Mohamed Hassoun , Kamal Assiouan , Abdelwafi Degdagui , Hatim Baida , Mustapha El Hadri , Abderrahman El Kharrim , Adil Marjaoui , Mohamed Zanouni","doi":"10.1016/j.inoche.2025.116134","DOIUrl":"10.1016/j.inoche.2025.116134","url":null,"abstract":"<div><div>Lead-free halide double perovskites represent a promising class of sustainable materials for next-generation optoelectronic and photocatalytic applications, offering an optimal balance between chemical stability and environmental safety. In this work, first-principles density functional theory (DFT) is employed to systematically explore the pressure-dependent evolution (0–50 GPa) of the structural, electronic, elastic, and optical properties of A<sub>2</sub>YAgZ<sub>6</sub> (A = Cs, Rb; Z = I, Br). Structural optimization confirms retention of the cubic <span><math><mi>F</mi><mover><mi>m</mi><mo>¯</mo></mover><mn>3</mn><mi>m</mi></math></span> symmetry under hydrostatic compression, accompanied by significant lattice contraction and a moderate decrease in thermodynamic stability. All compositions remain stable across the pressure range, with Br-based variants exhibiting greater robustness. The computed elastic constants reveal substantial enhancements in mechanical strength and ductility with increasing pressure. Electronic structure analysis shows progressive bandgap narrowing for example, from 2.44 eV to 1.56 eV in Cs₂YAgI<sub>6</sub> alongside asymmetric changes in carrier effective masses, suggesting improved hole mobility but reduced electron mobility. Optical properties are markedly enhanced under pressure, with increased absorption coefficients, dielectric constants, and refractive indices, particularly in bromide systems. These results establish A₂YAgZ<sub>6</sub> as pressure tunable, lead free semiconductors with strong potential for next generation optoelectronic and photocatalytic technologies.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"185 ","pages":"Article 116134"},"PeriodicalIF":5.4,"publicationDate":"2026-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145939713","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In this study, an azomethine-bridged heteroaryl silane compound (CSB) was synthesized and comprehensively characterized using various spectroscopic techniques. Photophysical studies showed CSB's high selectivity for Cd(II), with an LOD of 33 nM, further enhanced to 3 nM after immobilization on silica-coated magnetic nanoparticles. The successful functionalization of CSB onto the magnetic nanoparticles was confirmed by FT-IR spectroscopy, scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), Vibrating sample magnetometer (VSM), and powdered X-ray diffraction (XRD), indicating effective surface modification and elemental composition consistent with CSB attachment. Job's plot analysis indicated a 1:1 stoichiometric binding ratio between Cd(II) and the CSB ligand, and the corresponding metal complex was synthesized accordingly. The successful coordination of Cd(II) with CSB was confirmed via FT-IR, ESI-MS, and UV–Vis spectroscopy. Antibacterial activity assessment of CSB and CSB-NP against Pseudomonas aeruginosa, Bacillus subtilis, Escherichia coli, and Staphylococcus aureus, revealing potent inhibitory effects. These results suggest that CSB and its magnetic nanocomposites hold significant potential for environmental monitoring of toxic Cd(II) and for therapeutic applications in combating bacterial infections.
{"title":"Azomethine-bridged heteroaryl silane and magnetic nanohybrids: Nanomolar Cd(II) detection and antibacterial activity","authors":"Gurjaspreet Singh , Tsering Diskit , Amanpreet Singh , Akshpreet Singh , Baljinder Singh Gill , Deepanjali Baliyan","doi":"10.1016/j.inoche.2025.116130","DOIUrl":"10.1016/j.inoche.2025.116130","url":null,"abstract":"<div><div>In this study, an azomethine-bridged heteroaryl silane compound (CSB) was synthesized and comprehensively characterized using various spectroscopic techniques. Photophysical studies showed CSB's high selectivity for Cd(II), with an LOD of 33 nM, further enhanced to 3 nM after immobilization on silica-coated magnetic nanoparticles. The successful functionalization of CSB onto the magnetic nanoparticles was confirmed by FT-IR spectroscopy, scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), Vibrating sample magnetometer (VSM), and powdered X-ray diffraction (XRD), indicating effective surface modification and elemental composition consistent with CSB attachment. Job's plot analysis indicated a 1:1 stoichiometric binding ratio between Cd(II) and the CSB ligand, and the corresponding metal complex was synthesized accordingly. The successful coordination of Cd(II) with CSB was confirmed via FT-IR, ESI-MS, and UV–Vis spectroscopy. Antibacterial activity assessment of CSB and CSB-NP against <em>Pseudomonas aeruginosa</em>, <em>Bacillus subtilis</em>, <em>Escherichia coli</em>, and <em>Staphylococcus aureus</em>, revealing potent inhibitory effects. These results suggest that CSB and its magnetic nanocomposites hold significant potential for environmental monitoring of toxic Cd(II) and for therapeutic applications in combating bacterial infections.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"186 ","pages":"Article 116130"},"PeriodicalIF":5.4,"publicationDate":"2026-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145975700","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-02DOI: 10.1016/j.inoche.2025.116099
Elyes Bel Hadj Jrad , Abdelhakim Elmouwahidi , Esther Bailón García , Francisco Carrasco Marín , Chérif Dridi
In this study, pistachio shell wastes are hydrothermally converted into hydrochars and highly porous activated carbons. Samples are prepared at different residence times (6 h, 12 h, and 24 h) to assess the impact of processing duration. The physico-chemical characterization demonstrates that the sample treated for 12 h has the best performance, with a well-balanced micro- and mesoporous structure, a high BET surface area of 813 m2/g, and a rich presence of oxygen- and phosphorus-containing functional groups, highlighting its strong potential for supercapacitor applications. We employed a two-electrode cell configuration in 1 M H₂SO₄ with flexible graphite paper substrates for electrochemical evaluation. The supercapacitor using treated sample at residence time of 12 h exhibits a maximum specific capacitance of 215.14 F/g, along with energy and power densities of 7.47 Wh/kg and 0.09 KW/kg, respectively, at a current density of 0.1 A/g. These results are primarily attributed to the high BET surface area and the formation of microspherical carbon structures, which promote efficient adsorption/desorption processes. Furthermore, the assembled device demonstrates excellent cycling stability, retaining over 93 % of its capacitance after 3000 cycles, indicating strong potential for sustainable micro-energy systems and environmentally friendly energy storage technologies.
本研究利用水热法将开心果壳废弃物转化为水炭和高孔活性炭。样品在不同的停留时间（6小时，12小时和24小时）制备，以评估处理时间的影响。物理化学表征表明，经过12 h处理的样品性能最佳，微孔和介孔结构平衡良好，BET表面积高达813 m2/g，含有丰富的含氧和含磷官能团，具有很强的超级电容器应用潜力。我们采用双电极电池配置在1 M H₂SO₄和柔性石墨纸衬底进行电化学评价。当电流密度为0.1 a /g时，经处理的样品在停留时间为12 h时的最大比电容为215.14 F/g，能量和功率密度分别为7.47 Wh/kg和0.09 KW/kg。这些结果主要归因于BET的高表面积和微球形碳结构的形成，这促进了高效的吸附/解吸过程。此外，组装后的装置表现出出色的循环稳定性，在3000次循环后保持93%以上的电容，表明可持续微能源系统和环保储能技术的强大潜力。
{"title":"Hydrothermal synthesis of activated carbon from pistachio shells for supercapacitor applications: Influence of residence time and surface chemistry","authors":"Elyes Bel Hadj Jrad , Abdelhakim Elmouwahidi , Esther Bailón García , Francisco Carrasco Marín , Chérif Dridi","doi":"10.1016/j.inoche.2025.116099","DOIUrl":"10.1016/j.inoche.2025.116099","url":null,"abstract":"<div><div>In this study, pistachio shell wastes are hydrothermally converted into hydrochars and highly porous activated carbons. Samples are prepared at different residence times (6 h, 12 h, and 24 h) to assess the impact of processing duration. The physico-chemical characterization demonstrates that the sample treated for 12 h has the best performance, with a well-balanced micro- and mesoporous structure, a high BET surface area of 813 m<sup>2</sup>/g, and a rich presence of oxygen- and phosphorus-containing functional groups, highlighting its strong potential for supercapacitor applications. We employed a two-electrode cell configuration in 1 M H₂SO₄ with flexible graphite paper substrates for electrochemical evaluation. The supercapacitor using treated sample at residence time of 12 h exhibits a maximum specific capacitance of 215.14 F/g, along with energy and power densities of 7.47 Wh/kg and 0.09 KW/kg, respectively, at a current density of 0.1 A/g. These results are primarily attributed to the high BET surface area and the formation of microspherical carbon structures, which promote efficient adsorption/desorption processes. Furthermore, the assembled device demonstrates excellent cycling stability, retaining over 93 % of its capacitance after 3000 cycles, indicating strong potential for sustainable micro-energy systems and environmentally friendly energy storage technologies.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"186 ","pages":"Article 116099"},"PeriodicalIF":5.4,"publicationDate":"2026-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145924268","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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