New Journal of Chemistry最新文献

{"title":"Insights into the copper silicate modification on Cu/ZnO/Al2O3 catalysts during HPA hydrogenation: influence of copper species on catalytic selectivity†","authors":"Wanbang Zhu, Bing Wei, Liancheng Bing, Dezhi Han, Guangjian Wang and Fang Wang","doi":"10.1039/D5NJ00685F","DOIUrl":"https://doi.org/10.1039/D5NJ00685F","url":null,"abstract":"<p >In this study, different amounts of copper silicate-modified Cu-based catalysts with a fixed Cu/Zn/Al molar ratio were prepared <em>via</em> a coprecipitation method, and their catalytic activity in the hydrogenation of hydroxypivalaldehyde (HPA) to neopentyl glycol (NPG) was investigated. The reaction mechanism of copper silicate for copper-catalyzed aldehyde hydrogenation was explored using various characterization methods. Results showed that an appropriate amount of copper silicate improved the interaction between the metal components, augmented the surface area of the catalyst, captured more H<small>₂</small> and HPA, and thus promoted the reaction. It also promoted the reduction of copper active species and optimized the dispensation of Cu<small>⁺</small> and Cu<small>⁰</small> on the catalyst surface, reduced the occurrence of side reactions, and improved the selectivity for NPG. Under the reaction conditions of 373 K, 3.5 MPa, and LHSV = 6 h<small>⁻¹</small>, the enhanced catalyst exhibited exceptional catalytic performance, with an HPA conversion rate of 99.8% and an NPG selectivity of 94.4%.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 20","pages":" 8520-8527"},"PeriodicalIF":2.7,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144090823","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}

{"title":"Unveiling the structural dynamics and anticancer potential of zinc and iron oxide nanoparticles derived from Allium cepa peels","authors":"Rahat Mustafa, Arif Nazir, Mazhar Abbas and Munawar Iqbal","doi":"10.1039/D5NJ00264H","DOIUrl":"https://doi.org/10.1039/D5NJ00264H","url":null,"abstract":"<p >This study focuses on synthesizing iron and zinc oxide nanoparticles (IO NPs/ZnO NPs) using <em>Allium cepa</em> (red onion skin extract, ROSE). The aqueous extract from <em>A. cepa</em> was analyzed using LC-MS to identify key phytochemicals, which were used to synthesize IO NPs/ZnO NPs. These NPs were characterized by UV-visible, SEM, EDX, XRD, FT-IR and DLS techniques. The nanoparticles were found to be polycrystalline, mono to poly-disperse, and spherical with average sizes of 55 nm for IO NPs and 56 nm for ZnO NPs. The IO NPs showed strong antimicrobial activity against <em>Salmonella typhi</em>, while ZnO NPs were more effective against <em>Staphylococcus aureus</em>. The ZnO NPs exhibited superior antioxidant activity (57.057% at 150 μg mL<small>⁻¹</small>) and brine shrimp lethality (LC<small>₅₀</small> of 42.77 μg mL<small>⁻¹</small>) compared to IO NPs. In a similar pattern, ZnO NPs exhibited low hemolysis (%) and proved to be compatible with human RBCs. Zeta potential measurements indicated moderate stability, with values of −18.7 mV for IO NPs and −20.4 mV for ZnO NPs depicting moderate stability and poor flocculation for ZnO NPs. The ZnO NPs demonstrated better anticancer activity than IO NPs against HT29 cells (IC<small>₅₀</small> of 86.95 μg mL<small>⁻¹</small>) and showed higher effectiveness against HepG2 cells (IC<small>₅₀</small> of 68.01 μg mL<small>⁻¹</small>). Flow cytometry results indicated that ZnO NPs induced higher early and late apoptotic rates in cancer cells. Additionally, ZnO NPs showed greater biocompatibility with human RBCs, suggesting better potential for biomedical applications.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 18","pages":" 7479-7494"},"PeriodicalIF":2.7,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143908551","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}

{"title":"Luminescent amino-functionalized Pb-MOFs based on benzoic acid ligands: design, physicochemical characterization, and application as heterogeneous catalysts for Knoevenagel–Doebner reactions†","authors":"Naídson Pereira da Silva, Diego Melo de Lima, Luis Paulo Alves da Silva, Amanda Alves do Nascimento Gomes, Adrielle Firmino Da Silva, Lucas Fernando De Lima Costa, Jeniffer Mclaine Duarte de Freitas, Kleyton Ritomar Monteiro da Silva, Rodolfo Bezerra da Silva, Johnnatan Duarte de Freitas, Vania de Lourdes das Graças Teles, Dimas José da Paz Lima, Cintya D. A. E. S. Barbosa and Rodrigo S. Viana","doi":"10.1039/D4NJ04852K","DOIUrl":"https://doi.org/10.1039/D4NJ04852K","url":null,"abstract":"<p >Metal–organic frameworks (MOFs), known for their unique properties and adaptability, have garnered considerable interest in the development of advanced materials and technologies in chemistry and engineering. Due to the versatility of the metal centers and ligands present in their structure, MOFs have emerged as excellent catalytic platforms and tend to exhibit superior properties when functionalized. This study explores the synthesis, characterization, and catalytic application of lead-based MOFs (Pb-MOFs) containing terephthalic acid (BDC) and 2-aminoterephthalic acid (BDC-NH<small>₂</small>) ligands in the Knoevenagel–Doebner reaction, a key transformation in organic synthesis. While Knoevenagel reactions have been extensively studied, there are currently no reports on the use of MOFs in the Knoevenagel–Doebner reaction. The Pb(BDC)<small>_{0.20−<em>x</em>}</small>(BDC-NH<small>₂</small>)<small>_<em>x</em></small> (<em>x</em> = 0.01, 0.02 or 0.04) compounds were synthesized using the hydrothermal method and characterized using X-ray diffraction (XRD), which confirmed their orthorhombic crystal structure and high purity, even with the introduction of amino groups. Scanning electron microscopy (SEM) revealed morphological changes correlated with different BDC-NH<small>₂</small> concentrations, transitioning from rod-like crystals to small particle conglomerates. Fourier transform infrared (FT-IR) spectroscopy verified the successful incorporation of amine groups, while UV-Vis diffuse reflectance spectroscopy (DRS) and emission spectra highlighted changes in photophysical properties due to the mixed ligands. The catalytic performance of Pb(BDC)<small>_0.16</small>(BDC-NH<small>₂</small>)<small>_0.04</small> with amine groups was tested in the Knoevenagel–Doebner reaction with benzaldehyde, 4-(trifluoromethyl)benzaldehyde 4-chlorobenzaldehyde and malonic acid. The catalytic performance of Pb(BDC)<small>_0.16</small>(BDC-NH<small>₂</small>)<small>_0.04</small>, featuring amine groups, was evaluated in the Knoevenagel–Doebner reaction, yielding cinnamic acids with a range of 80–91%. These results demonstrate the effectiveness of Pb-MOFs as heterogeneous catalysts, showing that structural and functional modifications can significantly enhance both catalytic activity and selectivity. This study underscores the potential of Pb-MOFs to improve catalytic processes for the synthesis of industrially relevant compounds.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 19","pages":" 8122-8130"},"PeriodicalIF":2.7,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143938134","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}

{"title":"Metal-free selective alcohol oxidation via quinazolinone: mechanistic insights and sustainable applications†","authors":"Boheng Wan, Kairan Cui, Jie Xu, Shaohua Xing, Zimo Zhu, Yang Lai, Sheng Wu, Jiaxuan Guo, Yadong Chen, Tao Lu, Jie Feng and Yong Zhu","doi":"10.1039/D5NJ00893J","DOIUrl":"https://doi.org/10.1039/D5NJ00893J","url":null,"abstract":"<p >The oxidation of alcohols has been extensively studied over the years; however, the development of metal-free, selective methods for alcohol oxidation—particularly those enabling precise transformation into aldehydes or ketones—remains a significant challenge. Herein, we report a new organic oxidant that facilitates alcohol oxidation <em>via</em> acid-catalyzed transfer hydrogenation of quinazolin-2(1<em>H</em>)-one (HDQ). This eco-friendly and scalable process offers high selectivity, a straightforward workup, and broad substrate scope. Mechanistic studies, supported by isotope labeling and density functional theory (DFT) calculations, were conducted to elucidate the reaction pathway. Notably, this approach provides a dual-function pathway, directly yielding a diverse array of aldehydes and ketones while simultaneously producing 3,4-dihydroquinazolin-2(1<em>H</em>)-one (DHQZ), a privileged scaffold in small-molecule drug design. This novel alternative to conventional oxidation methods offers a sustainable solution suitable for large-scale chemical production.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 18","pages":" 7314-7318"},"PeriodicalIF":2.7,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/nj/d5nj00893j?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143908544","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A highly efficient and long-lasting agent for reactive oxygen species removal based on biomimetic mineralization of metal–organic frameworks","authors":"Weijie Zhu, Hao Ren, Yiwen Xie and Tianxiang Wei","doi":"10.1039/D5NJ00774G","DOIUrl":"https://doi.org/10.1039/D5NJ00774G","url":null,"abstract":"<p >Organisms rely heavily on enzyme-based antioxidant systems to remove reactive oxygen species (ROS) that are produced <em>in vivo</em> or generated indirectly upon contact with contaminants to prevent themselves from being damaged. However, it is difficult to maintain the stability of the enzyme, and to achieve both the removal and the inhibition of ROS. Herein we report a MOF–enzyme composite that simultaneously encapsulates two antioxidant enzymes with modified ZIF-8 (M-ZIF-8) to achieve efficient and persistent ROS removal. Meanwhile, we choose ZnO as the Zn source of M-ZIF-8, endowing the composite with ultraviolet resistance, which can inhibit the generation of ROS. The superoxide dismutase (SOD) activities of enzyme-M-ZIF-8 were assessed by a modified WST-8 assay. The IC50 value required to yield 50% inhibition of the reduction of WST-8 is 0.3047 μM, demonstrating a better SOD-like activity than most of the SOD mimic products. In addition, our composite showed a ROS removal rate of nearly 50% at room temperature, good activity after high-temperature treatment and prolonged storage, and outstanding UV resistance.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 20","pages":" 8395-8401"},"PeriodicalIF":2.7,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144090937","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}

{"title":"Alternative reaction mechanisms of ammonia reduction of iron oxide examined using density functional theory modelling†","authors":"Huanran Wang, Zhezi Zhang, Chiemeka Onyeka Okoye, Xianchun Li and Dongke Zhang","doi":"10.1039/D5NJ00840A","DOIUrl":"https://doi.org/10.1039/D5NJ00840A","url":null,"abstract":"<p >Several conceivable mechanisms of NH<small>₃</small> reduction of Fe<small>₃</small>O<small>₄</small>, represented by the Fe<small>₃</small>O<small>₄</small> (001)-B surface, have been hypothesised and examined using density functional theory (DFT) modelling. The proposed reaction mechanisms include NH<small>₃</small> adsorption, NH<small>₃</small> reduction of Fe<small>₃</small>O<small>₄</small> to H<small>₂</small>O, NH<small>₃</small> dissociation to H<small>₂</small>, and NH<small>₃</small> oxidation to NO, with the energy barrier of each reaction calculated. The most likely pathway of NH<small>₃</small> reduction of Fe<small>₃</small>O<small>₄</small> to form H<small>₂</small>O involves NH<small>₃</small> first adsorbing on an Fe site of the Fe<small>₃</small>O<small>₄</small> (001)-B surface. Subsequently, two H atoms are transferred to the adjacent O sites. One H atom from the resulting NH then combines with a surface hydroxyl group to form H<small>₂</small>O. For NH<small>₃</small> dissociation into H<small>₂</small>, the most probable pathway involves the combination of the H atom from the resulting NH with an H atom from NH<small>₃</small> dehydrogenation adsorbed on the Fe<small>₃</small>O<small>₄</small> (001)-B surface to form H<small>₂</small>. Fe<small>₃</small>O<small>₄</small> reduction creates oxygen vacancies on the surface, which leads to nitrogen migration from the Fe site to these vacancies, forming Fe<small>₃</small>N. The adsorbed N atom also bonds with the O atom on the Fe<small>₃</small>O<small>₄</small> (001)-B surface to form NO. The activation energy of H<small>₂</small>O formation is lower than that of H<small>₂</small> formation on the Fe<small>₃</small>O<small>₄</small> (001)-B surface.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 20","pages":" 8341-8351"},"PeriodicalIF":2.7,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144090917","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}

{"title":"Theoretical analysis of the characteristics of a BeMgCu4 cluster and its implications for CO2 activation†","authors":"Lifang Yan, Xingman Liu, Yue Huang, Xinluo Wu, Xiaomeng Wang and Zhongmin Su","doi":"10.1039/D5NJ00619H","DOIUrl":"https://doi.org/10.1039/D5NJ00619H","url":null,"abstract":"<p >Research into the structure and properties of heteronuclear alkaline earth metal clusters is far less enthusiastic than that for transition metals. Herein, we have modeled a fully exposed heteronuclear all-metallic cluster, <em>C</em><small>_4v</small>-BeMgCu<small>₄</small>, using quantum chemical calculations. Wherein, the four copper atoms are laid on the equatorial plane for two different alkaline earth metals, Be and Mg. Octahedral <em>C</em><small>_4v</small>-BeMgCu<small>₄</small> is proven to be a thermodynamically and dynamically stable global minimum structure by various analysis strategies and it possesses naked anisotropic non-frustrated Lewis pairs. Simultaneously, the three different constituent metals, Be, Mg and Cu, all contribute to the multi-site synergistic activation of CO<small>₂</small> and the Be–Cu–Cu face site enables the oriented adsorption of CO<small>₂</small>.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 18","pages":" 7546-7552"},"PeriodicalIF":2.7,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143908533","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}

{"title":"A low-cost dopant-free thiophene-based hole transport material for n–i–p perovskite solar cells†","authors":"Zhenhu Zhang, Xin lv, Xuerui Zheng, Xinrui Wang, Dewang Niu, Yuqi Wang, Kexin Wang, Kuanyu Yuan and Yongjie Zhang","doi":"10.1039/D5NJ00100E","DOIUrl":"https://doi.org/10.1039/D5NJ00100E","url":null,"abstract":"<p >Perovskite solar cells (PSCs) with dopant-free hole transporting layers (HTLs) have attracted wide attention owing to their excellent photoelectric conversion efficiency and environmental stability. However, the hole transporting materials (HTMs) used to prepare dopant-free HTLs seriously hinder the commercial development of PSCs because of their high production cost and complicated preparation process. Herein, we chose thiophene as the central core to synthesize two low-cost HTMs, namely <strong>S1</strong> and <strong>S2</strong>. Owing to the introduction of the ethylene bridge, the conjugated structure of <strong>S2</strong> was expanded, and the steric hindrance of triphenylamine was reduced, which endowed <strong>S2</strong> with a higher carrier mobility of 1.83 × 10<small>⁻⁴</small> cm<small>²</small> V<small>⁻¹</small> s<small>⁻¹</small> than that of <strong>S1</strong> with 6.3 × 10<small>⁻⁵</small> cm<small>²</small> V<small>⁻¹</small> s<small>⁻¹</small>. Furthermore, the <strong>S2</strong>-based PSCs provided an excellent power conversion efficiency of 20.13%, which was higher than those of PSCs based on <strong>S1</strong> (18.01%). Besides, PSC devices with <strong>S1</strong> and <strong>S2</strong> as dopant-free HTL maintained more than 85% of their initial efficiency in air for 60 days. This work not only enriches the material system of dopant-free HTMs but also provides a simple and effective strategy for the preparation of low-cost and high-performance HTMs, paving the way for the commercialization of PSCs with dopant-free HTLs.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 21","pages":" 8849-8855"},"PeriodicalIF":2.7,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144140116","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}

{"title":"Water-dispersible nanocomposites of fullerene C60 and polymer-stabilized silver nanoparticles: preparation, physico-chemical properties, and antifungal activity","authors":"Nadezhda Samoilova, Maria Krayukhina, Zinaida Klemenkova, Alexander Naumkin, Michail Buzin, Oxana Vyshivannaya, Nelya Anuchina and Dmitry Popov","doi":"10.1039/D5NJ00398A","DOIUrl":"https://doi.org/10.1039/D5NJ00398A","url":null,"abstract":"<p >A simple method of obtaining composites based on fullerene and silver nanoparticles (AgNPs) has been proposed. Non-covalent water-dispersible composites were prepared by mixing a water solution of polymer-stabilized AgNPs and a solution of pristine fullerene C<small>₆₀</small> in <em>N</em>-methylpyrrolidone (NMP), followed by exhaustive dialysis against water. Alternating copolymers of dicarboxylic acid were used as stabilizing copolymers in the complexes of AgNPs: poly(styrene-<em>alt</em>-maleic acid) – SM, poly(<em>N</em>-vinyl-2-pyrrolidone-<em>alt</em>-maleic acid) – VM or poly(ethylene-<em>alt</em>-maleic acid) – EM. A 5–6-fold molar excess of copolymer/AgNP complexes SM/Ag<small>⁰</small> or VM/Ag<small>⁰</small> and approximately 10-fold excess of EM/Ag<small>⁰</small> were used relative to C<small>₆₀</small> (moles of copolymers corresponded to AgNPs containing dimer units of copolymers). The volume of the aqueous phase when preparing composites was correlated with the organic phase as 1 to 1–1.3. The physical and optical properties of the preparations were characterized by UV-vis and FTIR spectroscopy, DLS, TGA, TEM and XPS. It has been shown that fullerene is included in the composites in solvated form. The AgNP content in the composites was 22–34, and that of C<small>₆₀</small> is 20–28 wt%. The dry composites were found to be dispersible in water, but were practically insoluble and did not dissociate in nonpolar solvents and NMP. It has been shown that C<small>₆₀</small> significantly inhibits the oxidative degradation of AgNPs in the composites and increases the antifungal activity of the preparations against <em>Candida albicans</em>.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 20","pages":" 8192-8203"},"PeriodicalIF":2.7,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144090870","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}

{"title":"Impact of ligand steric hindrance on the phenoxazinone synthase-like reactivity and antibacterial activity of cobalt(iii) complexes of N2O donor ligands†","authors":"Kannan Sree Vidya, Ganesh Yamuna, Nattamai Bhuvanesh, Ayyan Ghosh, Sreeja Dasgupta, Sukanta Mandal, Rajkumar Vasanthkumar, Packiaraj Gurusaravanan and Karuppasamy Sundaravel","doi":"10.1039/D5NJ00515A","DOIUrl":"https://doi.org/10.1039/D5NJ00515A","url":null,"abstract":"&lt;p &gt;In the present work, we have synthesized four new mono- and binuclear cobalt(&lt;small&gt;III&lt;/small&gt;) complexes [Co(HL1)(L1)](NO&lt;small&gt;&lt;sub&gt;3&lt;/sub&gt;&lt;/small&gt;)&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;&lt;strong&gt;1&lt;/strong&gt;, [Co(HL2)(L2)](NO&lt;small&gt;&lt;sub&gt;3&lt;/sub&gt;&lt;/small&gt;)&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;&lt;strong&gt;2&lt;/strong&gt;, [Co(HL3)(L3)](NO&lt;small&gt;&lt;sub&gt;3&lt;/sub&gt;&lt;/small&gt;)&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;&lt;strong&gt;3&lt;/strong&gt; and [Co&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;(L4)&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;(NO&lt;small&gt;&lt;sub&gt;3&lt;/sub&gt;&lt;/small&gt;)&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;H&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;O]·(NO&lt;small&gt;&lt;sub&gt;3&lt;/sub&gt;&lt;/small&gt;)H&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;O &lt;strong&gt;4&lt;/strong&gt; composed of N&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;O donor ligands (&lt;strong&gt;HL1&lt;/strong&gt; = 2-((pyridin-2-ylmethyl)amino)ethan-1-ol), &lt;strong&gt;HL2&lt;/strong&gt; = (1-((pyridin-2-ylmethyl)amino)propan-2-ol), &lt;strong&gt;HL3&lt;/strong&gt; = (3-((pyridin-2-ylmethyl)-amino)propan-1-ol) and &lt;strong&gt;HL4&lt;/strong&gt; = (2-methyl-2-((pyridin-2-ylmethyl)-amino)propan-1-ol)) and characterized them by various analytical methods. X-ray crystallographic analysis of complex cations [Co&lt;small&gt;&lt;sup&gt;III&lt;/sup&gt;&lt;/small&gt; (HL1)(L1)]&lt;small&gt;&lt;sup&gt;2+&lt;/sup&gt;&lt;/small&gt; and [Co&lt;small&gt;&lt;sup&gt;III&lt;/sup&gt;&lt;/small&gt; (HL2)(L2)]&lt;small&gt;&lt;sup&gt;2+&lt;/sup&gt;&lt;/small&gt; reveals that the Co(&lt;small&gt;III&lt;/small&gt;) ion is in a distorted octahedral environment constructed by facial coordination of two equivalents of tridentate ligands (&lt;strong&gt;HL1&lt;/strong&gt;/&lt;strong&gt;HL2&lt;/strong&gt;). Interestingly, one equivalent of the ligand acts as an anionic donor, while neutral behaviour was noticed for the second equivalent. Complex &lt;strong&gt;4&lt;/strong&gt; crystallises as a binuclear entity wherein the two cobalt centres communicate &lt;em&gt;via&lt;/em&gt; a bis-μ-alkoxide bridge in the solid state. Both cobalt centres possess distorted octahedral geometry (Co1: the Co(&lt;small&gt;III&lt;/small&gt;) ion is chelated to the N&lt;small&gt;&lt;sub&gt;4&lt;/sub&gt;&lt;/small&gt;O&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt; chromophore; Co2: the Co(&lt;small&gt;II&lt;/small&gt;) ion is in an oxygen-rich O&lt;small&gt;&lt;sub&gt;6&lt;/sub&gt;&lt;/small&gt; environment). The ESI-MS profile of &lt;strong&gt;4&lt;/strong&gt; in water shows that the mononuclear Co(&lt;small&gt;III&lt;/small&gt;) species (&lt;em&gt;m&lt;/em&gt;/&lt;em&gt;z&lt;/em&gt; = 418.173) exists in the solution state. Furthermore, the spin and oxidation state of &lt;strong&gt;1–4&lt;/strong&gt; in solution are assessed by the &lt;small&gt;&lt;sup&gt;1&lt;/sup&gt;&lt;/small&gt;H NMR spectroscopic data. All the complexes mimic the function of the phenoxazinone synthase enzyme with impressive turnover numbers (242.10–1424.95 h&lt;small&gt;&lt;sup&gt;−1&lt;/sup&gt;&lt;/small&gt;) in water. From kinetic experiments, it is observed that complex &lt;strong&gt;2&lt;/strong&gt; with a methyl substituted ligand moiety exhibits rapid PHS-like activity, and the reactivity of the catalysts follows the order: &lt;strong&gt;2&lt;/strong&gt; &gt; &lt;strong&gt;3&lt;/strong&gt; &gt; &lt;strong&gt;4&lt;/strong&gt; &gt; &lt;strong&gt;1&lt;/strong&gt;. The antibacterial activity of ligands (&lt;strong&gt;HL1–HL4&lt;/strong&gt;), Co(NO&lt;small&gt;&lt;sub&gt;3&lt;/sub&gt;&lt;/small&gt;)&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt; and complexes &lt;strong&gt;1–4&lt;/strong&gt; was tested individually against two Gram-positive and two Gram-neg","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 20","pages":" 8576-8593"},"PeriodicalIF":2.7,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144090850","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}